pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	OCHEM	1	0	c1cc2[nH+]c(c1)COCCOCCOCCOCCOCCOCCOCCOC2	c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOC2	mol31887	c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOC2
3.70000004768372	QSARToolbox	1	0	c1cc2[nH+]c(c1)COCCOCCOCCOCCOCCOCCOCCOC2	c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOC2	mol31887	c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOC2