[
  {
    "molid": "mol14777",
    "smiles": "OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1",
        "std_free_energy": -5.987292289733887,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCc1ccc(-c2[nH+]ccc3c2[nH]c2ccccc23)o1",
        "std_free_energy": -3.9893674850463867,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.6999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]