[
  {
    "molid": "mol33207",
    "smiles": "COc1cc(C(=N)c2ccccc2)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C(=[NH2+])c2ccccc2)ccc1[O-]",
        "std_free_energy": -3.4805808067321777,
        "relative_population": 0.3392344746779104
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc(C(=N)c2ccccc2)ccc1O",
        "std_free_energy": -4.1472883224487305,
        "relative_population": 0.6607655253220895
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(C(=N)c2ccccc2)ccc1[O-]",
        "std_free_energy": 2.168304443359375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]