[
  {
    "molid": "mol13959",
    "smiles": "CN(C)Cc1ccc(O)c(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1ccc(O)c(O)c1[O-]",
        "std_free_energy": -4.324789524078369,
        "relative_population": 0.28730166261688106
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1ccc([O-])c(O)c1O",
        "std_free_energy": -4.053939342498779,
        "relative_population": 0.21913381517911687
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1ccc(O)c([O-])c1O",
        "std_free_energy": -4.281601905822754,
        "relative_population": 0.2751579055164879
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CN(C)Cc1ccc(O)c(O)c1O",
        "std_free_energy": -4.050615310668945,
        "relative_population": 0.21840661668751415
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1ccc(O)c(O)c1O",
        "std_free_energy": -9.65676498413086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.2600002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.26000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]