pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	OCHEM	1	0	Cc1cnc([NH2+]CCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]cnc2c1,Cc1c[nH+]c(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]cnc2c1,Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]c[nH+]c2c1	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]cnc2c1	mol18780	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]cnc2c1