pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Baltruschat ChEMBL	2	1	Cc1cc2c(-c3cccc[nH+]3)c[nH]c2c(C(=O)Nc2ccn(C)n2)[nH+]1,Cc1cc2c(-c3cccc[nH+]3)c[nH]c2c(C(=O)Nc2ccn(C)[nH+]2)n1,Cc1cc2c(-c3ccccn3)c[nH]c2c(C(=O)Nc2ccn(C)[nH+]2)[nH+]1	Cc1cc2c(-c3cccc[nH+]3)c[nH]c2c(C(=O)Nc2ccn(C)n2)n1,Cc1cc2c(-c3ccccn3)c[nH]c2c(C(=O)Nc2ccn(C)n2)[nH+]1,Cc1cc2c(-c3ccccn3)c[nH]c2c(C(=O)Nc2ccn(C)[nH+]2)n1	mol16822	Cc1cc2c(-c3ccccn3)c[nH]c2c(C(=O)Nc2ccn(C)n2)n1