[
  {
    "molid": "mol3456",
    "smiles": "Cc1cc(O)cc(O)c1C(=N)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)cc([O-])c1C(=[NH2+])c1ccccc1",
        "std_free_energy": -3.7533092498779297,
        "relative_population": 0.2737039480118097
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)cc(O)c1C(=N)c1ccccc1",
        "std_free_energy": -4.2631072998046875,
        "relative_population": 0.4557047357479139
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc([O-])cc(O)c1C(=[NH2+])c1ccccc1",
        "std_free_energy": -3.7418718338012695,
        "relative_population": 0.2705913162402762
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(O)cc(O)c1C(=[NH2+])c1ccccc1",
        "std_free_energy": -6.357214450836182,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]