[
  {
    "molid": "mol15595",
    "smiles": "COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3",
        "std_free_energy": -3.7938175201416016,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1C[NH+](C)CC2)OCO3",
        "std_free_energy": -7.372222900390625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.0900002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]