[
  {
    "molid": "mol21861",
    "smiles": "CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCC[C@H](C)OC(=O)COc1ccc(Cl)c2cccnc12",
        "std_free_energy": -6.2109375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCC[C@H](C)OC(=O)COc1ccc(Cl)c2ccc[nH+]c12",
        "std_free_energy": 0.8391751050949097,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]