[
  {
    "molid": "mol17591",
    "smiles": "Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1",
        "std_free_energy": -5.9608612060546875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)cc(C(=[OH+])N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1",
        "std_free_energy": 7.424656391143799,
        "relative_population": 0.7801698412707503
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C)cc(C(=O)N(NC(=[OH+])c2ccc3c(c2C)CCCO3)C(C)(C)C)c1",
        "std_free_energy": 8.691312789916992,
        "relative_population": 0.2198301587292496
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]