pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	Novartis	1	0	c1ccc(-c2c[nH+]c3c(-c4ccnc5ccccc45)cnn3c2)cc1,c1ccc(-c2cnc3c(-c4ccnc5ccccc45)c[nH+]n3c2)cc1,c1ccc(-c2cnc3c(-c4cc[nH+]c5ccccc45)cnn3c2)cc1	c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1	mol3033	c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1