pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.27	Baltruschat ChEMBL	1	0	Clc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH2+]CC1	Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1	mol20865	Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1