pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.36	IUPAC digitized pKa	1	0	c1cnc2[nH+]cccc2c1	c1cnc2ncccc2c1	mol4588	c1cnc2ncccc2c1
3.39	Baltruschat ChEMBL	1	0	c1cnc2[nH+]cccc2c1	c1cnc2ncccc2c1	mol4588	c1cnc2ncccc2c1
-3.1	AttenGpKa training set	2	1	c1c[nH+]c2[nH+]cccc2c1	c1cnc2[nH+]cccc2c1	mol4588	c1cnc2ncccc2c1