[
  {
    "molid": "mol3720",
    "smiles": "OCc1ccncc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCc1ccncc1O",
        "std_free_energy": -5.760181427001953,
        "relative_population": 0.9443165571393567
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1c[nH+]ccc1CO",
        "std_free_energy": -2.9294028282165527,
        "relative_population": 0.05568344286064325
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCc1cc[nH+]cc1O",
        "std_free_energy": -1.714822769165039,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cnccc1CO",
        "std_free_energy": -0.40639060735702515,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.94999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]