pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.14	Datawarrior	1	0	COc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,COc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	COc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol15351	COc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
7.1399999	OCHEM	1	0	COc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,COc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	COc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol15351	COc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
7.1399998664856	QSARToolbox	1	0	COc1ccc2nc3c(c([NH+]4CCOCC4)c2c1)CCC3,COc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCC3	COc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3	mol15351	COc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3