pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Baltruschat ChEMBL	1	0	COc1cc2c(cc1OC)-c1c(-c3c[nH+]cs3)nc(C)n1CC2,COc1cc2c(cc1OC)-c1c(-c3cncs3)[nH+]c(C)n1CC2	COc1cc2c(cc1OC)-c1c(-c3cncs3)nc(C)n1CC2	mol21151	COc1cc2c(cc1OC)-c1c(-c3cncs3)nc(C)n1CC2