[
  {
    "molid": "mol15438",
    "smiles": "COc1ccc(-c2cnc(-c3ccc(OC)cc3)o2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2cnc(-c3ccc(OC)cc3)o2)cc1",
        "std_free_energy": -6.745602607727051,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(-c2c[nH+]c(-c3ccc(OC)cc3)o2)cc1",
        "std_free_energy": 4.852138519287109,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.4099999666214,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]