[
  {
    "molid": "mol34537",
    "smiles": "c1ccc(-c2c[nH]c(CCCc3c[nH]cn3)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2c[nH]c(CCCc3c[nH]cn3)n2)cc1",
        "std_free_energy": -5.126474380493164,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2c[nH]c(CCCc3c[nH]c[nH+]3)n2)cc1",
        "std_free_energy": -7.2098870277404785,
        "relative_population": 0.6646768938600349
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(-c2c[nH]c(CCCc3c[nH]cn3)[nH+]2)cc1",
        "std_free_energy": -6.5256805419921875,
        "relative_population": 0.3353231061399651
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.55000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]