pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Datawarrior	1	0	Clc1cc[nH+]c(-c2ccccn2)c1,Clc1ccnc(-c2cccc[nH+]2)c1	Clc1ccnc(-c2ccccn2)c1	mol13757	Clc1ccnc(-c2ccccn2)c1
3.79999995231628	QSARToolbox	1	0	Clc1cc[nH+]c(-c2ccccn2)c1,Clc1ccnc(-c2cccc[nH+]2)c1	Clc1ccnc(-c2ccccn2)c1	mol13757	Clc1ccnc(-c2ccccn2)c1