pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.11	Datawarrior	1	0	CCOc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,CCOc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	CCOc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol15068	CCOc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
7.1100001	OCHEM	1	0	CCOc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,CCOc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	CCOc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol15068	CCOc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
7.1100001335144	QSARToolbox	1	0	CCOc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,CCOc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	CCOc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol15068	CCOc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3