[
  {
    "molid": "mol15306",
    "smiles": "COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)CC21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1[O-])CC[NH+]1Cc3c(ccc(OC)c3OC)C[C@H]21",
        "std_free_energy": -1.8970032930374146,
        "relative_population": 0.6862250684679975
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)C[C@H]21",
        "std_free_energy": -1.114473581314087,
        "relative_population": 0.3137749315320025
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(cc1[O-])CCN1Cc3c(ccc(OC)c3OC)C[C@H]21",
        "std_free_energy": 5.166402816772461,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.5500002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]