pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	OCHEM	2	1	Nc1c2ccccc2[nH+]c2c(C(=O)NCCc3cccc[nH+]3)cccc12	Nc1c2ccccc2nc2c(C(=O)NCCc3cccc[nH+]3)cccc12,[NH3+]c1c2ccccc2nc2c(C(=O)NCCc3ccccn3)cccc12,Nc1c2ccccc2[nH+]c2c(C(=O)NCCc3ccccn3)cccc12	mol18317	Nc1c2ccccc2nc2c(C(=O)NCCc3ccccn3)cccc12