[
  {
    "molid": "mol18803",
    "smiles": "CCNC(=O)c1cc(N(C)C)nc(OC)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNC(=O)c1cc(N(C)C)nc(OC)n1",
        "std_free_energy": -7.362565040588379,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCNC(=O)c1cc([NH+](C)C)nc(OC)n1",
        "std_free_energy": 1.2583601474761963,
        "relative_population": 0.4180327262677862
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCNC(=O)c1cc(N(C)C)[nH+]c(OC)n1",
        "std_free_energy": 1.6980763673782349,
        "relative_population": 0.26930471339639994
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCNC(=O)c1cc(N(C)C)nc(OC)[nH+]1",
        "std_free_energy": 1.5487953424453735,
        "relative_population": 0.3126625603358138
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]