pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.47	Datawarrior	1	0	Cn1c(-c2ccccn2)[nH+]c2ccccc21,Cn1c(-c2cccc[nH+]2)nc2ccccc21	Cn1c(-c2ccccn2)nc2ccccc21	mol14518	Cn1c(-c2ccccn2)nc2ccccc21
4.4699998	OCHEM	1	0	Cn1c(-c2ccccn2)[nH+]c2ccccc21,Cn1c(-c2cccc[nH+]2)nc2ccccc21	Cn1c(-c2ccccn2)nc2ccccc21	mol14518	Cn1c(-c2ccccn2)nc2ccccc21
-1.27	Datawarrior	2	1	Cn1c(-c2cccc[nH+]2)[nH+]c2ccccc21	Cn1c(-c2ccccn2)[nH+]c2ccccc21,Cn1c(-c2cccc[nH+]2)nc2ccccc21	mol14518	Cn1c(-c2ccccn2)nc2ccccc21