pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33	Datawarrior	1	0	CCCCCCC[NH+](CCCCCCC)c1ccccc1	CCCCCCCN(CCCCCCC)c1ccccc1	mol15418	CCCCCCCN(CCCCCCC)c1ccccc1
3.3299999	OCHEM	1	0	CCCCCCC[NH+](CCCCCCC)c1ccccc1	CCCCCCCN(CCCCCCC)c1ccccc1	mol15418	CCCCCCCN(CCCCCCC)c1ccccc1
3.32999992370605	QSARToolbox	1	0	CCCCCCC[NH+](CCCCCCC)c1ccccc1	CCCCCCCN(CCCCCCC)c1ccccc1	mol15418	CCCCCCCN(CCCCCCC)c1ccccc1