pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	IUPAC digitized pKa	1	0	c1cc2c([nH+]n1)CCCC2,c1cc2c(n[nH+]1)CCCC2	c1cc2c(nn1)CCCC2	mol4567	c1cc2c(nn1)CCCC2
4.3000002	OCHEM	1	0	c1cc2c([nH+]n1)CCCC2,c1cc2c(n[nH+]1)CCCC2	c1cc2c(nn1)CCCC2	mol4567	c1cc2c(nn1)CCCC2
4.30000019073486	QSARToolbox	1	0	c1cc2c([nH+]n1)CCCC2,c1cc2c(n[nH+]1)CCCC2	c1cc2c(nn1)CCCC2	mol4567	c1cc2c(nn1)CCCC2