pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	OCHEM	1	0	Cc1[nH+]c2c(OCc3ccccc3)cccn2c1CC#N	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N	mol2302	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N
5.5	Baltruschat ChEMBL	1	0	Cc1[nH+]c2c(OCc3ccccc3)cccn2c1CC#N	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N	mol2302	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N
7.28	Baltruschat ChEMBL	1	0	Cc1[nH+]c2c(OCc3ccccc3)cccn2c1CC#N	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N	mol2302	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N