[
  {
    "molid": "mol19758",
    "smiles": "COc1ccc2c(c1)c(-c1ccc(=O)n(Cc3ccccc3)n1)c(C)n2CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1)c(-c1ccc(=O)n(Cc3ccccc3)n1)c(C)n2CC(=O)O",
        "std_free_energy": -4.5946879386901855,
        "relative_population": 0.9953794957587625
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2c(c1)c(-c1ccc(=O)n(Cc3ccccc3)n1)c(C)n2CC(=O)[O-]",
        "std_free_energy": -9.952584266662598,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]