pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6899995803833	QSARToolbox	-1	-2	CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[n-]c5c4)[nH]c3c2)CC1,CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc([O-])cc6)[nH]c5c4)[nH]c3c2)CC1	CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc([O-])cc6)[nH]c5c4)[n-]c3c2)CC1,CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[n-]c5c4)[n-]c3c2)CC1,CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc([O-])cc6)[n-]c5c4)[nH]c3c2)CC1	mol33969	CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1