pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Baltruschat ChEMBL	1	0	OCCNc1c2ccccc2[nH+]c2c1oc1ccccc12,OCC[NH2+]c1c2ccccc2nc2c1oc1ccccc12	OCCNc1c2ccccc2nc2c1oc1ccccc12	mol16593	OCCNc1c2ccccc2nc2c1oc1ccccc12