[
  {
    "molid": "mol18352",
    "smiles": "CC(=O)Nc1ccc2nc(NCCN(C)C)ccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc2nc(NCCN(C)C)ccc2c1",
        "std_free_energy": -4.561888694763184,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccc2nc([N-]CCN(C)C)ccc2c1",
        "std_free_energy": 10.60911750793457,
        "relative_population": 0.3031246793724268
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[N-]c1ccc2nc(NCCN(C)C)ccc2c1",
        "std_free_energy": 9.776655197143555,
        "relative_population": 0.6968753206275732
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 12.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]