[
  {
    "molid": "mol21566",
    "smiles": "O=C(O)CCCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12",
        "std_free_energy": -7.344399452209473,
        "relative_population": 0.7938571624731497
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(C[NH+]3CCOCC3)c([O-])ccc12",
        "std_free_energy": -5.973817825317383,
        "relative_population": 0.20160733551981552
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(CN3CCOCC3)c([O-])ccc12",
        "std_free_energy": -1.434000015258789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]