[
  {
    "molid": "mol38254",
    "smiles": "O=C(CN=Cc1ccccc1O)c1ccc2c(c1)OCCOCCOCCOCCO2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CN=Cc1ccccc1O)c1ccc2c(c1)OCCOCCOCCOCCO2",
        "std_free_energy": -5.950089454650879,
        "relative_population": 0.9799657066925435
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([CH-]N=Cc1ccccc1O)c1ccc2c(c1)OCCOCCOCCOCCO2",
        "std_free_energy": 3.1622767448425293,
        "relative_population": 0.21298204524976197
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(CN=Cc1ccccc1[O-])c1ccc2c(c1)OCCOCCOCCOCCO2",
        "std_free_energy": 1.8552335500717163,
        "relative_population": 0.7870179547502381
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.32999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]