[
  {
    "molid": "mol13364",
    "smiles": "Cc1cc(C)n(-c2cc(C)n(C)n2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)n(-c2cc(C)n(C)n2)n1",
        "std_free_energy": -9.687297821044922,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)n(-c2cc(C)n(C)[nH+]2)n1",
        "std_free_energy": 0.9296391606330872,
        "relative_population": 0.5626653719154857
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C)n(-c2cc(C)n(C)n2)[nH+]1",
        "std_free_energy": 1.1816256046295166,
        "relative_population": 0.4373346280845144
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(C)n(-c2cc(C)n(C)[nH+]2)[nH+]1",
        "std_free_energy": 21.34551239013672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.19,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.1900001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.19000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -2.9,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]