pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Datawarrior	1	0	c1cnc2ccc3[nH+]cccc3c2c1	c1cnc2ccc3ncccc3c2c1	mol5118	c1cnc2ccc3ncccc3c2c1
2.4	Datawarrior	2	1	c1c[nH+]c2ccc3[nH+]cccc3c2c1	c1cnc2ccc3[nH+]cccc3c2c1	mol5118	c1cnc2ccc3ncccc3c2c1
2.40000009536743	QSARToolbox	2	1	c1c[nH+]c2ccc3[nH+]cccc3c2c1	c1cnc2ccc3[nH+]cccc3c2c1	mol5118	c1cnc2ccc3ncccc3c2c1