pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Baltruschat ChEMBL	2	1	COc1cc2c(cc1OC)-c1c(-c3ccc[nH+]c3)[nH+]cn1CC2	COc1cc2c(cc1OC)-c1c(-c3cccnc3)[nH+]cn1CC2,COc1cc2c(cc1OC)-c1c(-c3ccc[nH+]c3)ncn1CC2	mol21152	COc1cc2c(cc1OC)-c1c(-c3cccnc3)ncn1CC2