[
  {
    "molid": "mol18802",
    "smiles": "CCNC(=O)c1cc(OC)nc(N(C)C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNC(=O)c1cc(OC)nc(N(C)C)n1",
        "std_free_energy": -7.398822784423828,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCNC(=O)c1cc(OC)[nH+]c(N(C)C)n1",
        "std_free_energy": 1.568068265914917,
        "relative_population": 0.28186785790289026
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCNC(=O)c1cc(OC)nc(N(C)C)[nH+]1",
        "std_free_energy": 1.6745407581329346,
        "relative_population": 0.25339914148582254
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCNC(=O)c1cc(OC)nc([NH+](C)C)n1",
        "std_free_energy": 1.06804358959198,
        "relative_population": 0.4647330006112873
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]