[
  {
    "molid": "mol18804",
    "smiles": "CCNC(=O)c1nc(OC)cc(N(C)C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNC(=O)c1nc(OC)cc(N(C)C)n1",
        "std_free_energy": -7.262537956237793,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCNC(=O)c1nc(OC)cc(N(C)C)[nH+]1",
        "std_free_energy": 2.362891912460327,
        "relative_population": 0.27587820759861575
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCNC(=O)c1nc(OC)cc([NH+](C)C)n1",
        "std_free_energy": 2.3790838718414307,
        "relative_population": 0.27144716927354773
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCNC(=O)c1nc(N(C)C)cc(OC)[nH+]1",
        "std_free_energy": 1.8676778078079224,
        "relative_population": 0.4526746231278365
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]