[
  {
    "molid": "mol38185",
    "smiles": "Cc1ccccc1C1=NCC(=O)N(C)c2ccc(Cl)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1C1=NCC(=O)N(C)c2ccc(Cl)cc21",
        "std_free_energy": -6.330634593963623,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1C1=NCC(=[OH+])N(C)c2ccc(Cl)cc21",
        "std_free_energy": 1.9642244577407837,
        "relative_population": 0.08739272320831498
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccccc1C1=[NH+]CC(=O)N(C)c2ccc(Cl)cc21",
        "std_free_energy": -0.38166916370391846,
        "relative_population": 0.912607276791685
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9300000667572,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]