[
  {
    "molid": "mol19133",
    "smiles": "O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c(O)cc3c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c(O)cc3c21",
        "std_free_energy": -5.49845552444458,
        "relative_population": 0.9783946382661741
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c([O-])cc3c21",
        "std_free_energy": 0.8785133361816406,
        "relative_population": 0.9851324054456887
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]