[
  {
    "molid": "mol38192",
    "smiles": "COCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": -6.1583404541015625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COCN1C(=O)C[NH+]=C(c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": -0.7543014883995056,
        "relative_population": 0.9397118505493145
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COCN1C(=[OH+])CN=C(c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": 1.9921362400054932,
        "relative_population": 0.06028814945068547
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]