[
  {
    "molid": "mol17189",
    "smiles": "Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1",
        "std_free_energy": -5.966904640197754,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(-c2[nH+]c3ccc(C)cn3c2CC(=O)N(C)C)cc1",
        "std_free_energy": -2.890080451965332,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]