[
  {
    "molid": "mol7880",
    "smiles": "Cc1ccc2c(c1)N=CNC2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(c1)N=CN[C@H]2O",
        "std_free_energy": -5.407501220703125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)[NH+]=CN[C@H]2O",
        "std_free_energy": -5.874438762664795,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]