[
  {
    "molid": "mol14920",
    "smiles": "COc1cc2c(OC)ncnc2c(OC)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(OC)ncnc2c(OC)c1OC",
        "std_free_energy": -6.530847072601318,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2c(OC)[nH+]cnc2c(OC)c1OC",
        "std_free_energy": 1.9831302165985107,
        "relative_population": 0.4848171672394046
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc2c(OC)nc[nH+]c2c(OC)c1OC",
        "std_free_energy": 1.9223802089691162,
        "relative_population": 0.5151828327605955
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.3399999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.33999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]