pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Datawarrior	1	0	c1cnc2c(c1)c1c(c3ccc[nH+]c32)CCCC1	c1cnc2c(c1)c1c(c3cccnc32)CCCC1	mol14885	c1cnc2c(c1)c1c(c3cccnc32)CCCC1
5.3000002	OCHEM	1	0	c1cnc2c(c1)c1c(c3ccc[nH+]c32)CCCC1	c1cnc2c(c1)c1c(c3cccnc32)CCCC1	mol14885	c1cnc2c(c1)c1c(c3cccnc32)CCCC1
5.30000019073486	QSARToolbox	1	0	c1cnc2c(c1)c1c(c3ccc[nH+]c32)CCCC1	c1cnc2c(c1)c1c(c3cccnc32)CCCC1	mol14885	c1cnc2c(c1)c1c(c3cccnc32)CCCC1