pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Baltruschat ChEMBL	1	0	Cc1cc2c(-c3ccccn3)c[nH]c2c(C(=O)Nc2[nH]cc(C)[nH+]2)n1,Cc1c[nH]c(NC(=O)c2nc(C)cc3c(-c4cccc[nH+]4)c[nH]c23)n1,Cc1c[nH]c(NC(=O)c2[nH+]c(C)cc3c(-c4ccccn4)c[nH]c23)n1	Cc1c[nH]c(NC(=O)c2nc(C)cc3c(-c4ccccn4)c[nH]c23)n1	mol16823	Cc1c[nH]c(NC(=O)c2nc(C)cc3c(-c4ccccn4)c[nH]c23)n1