pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.37	Datawarrior	0	-1	Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1	Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1	mol14979	Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1
5.3699999	OCHEM	0	-1	Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1	Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1	mol14979	Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1
5.36999988555908	QSARToolbox	0	-1	Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1	Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1	mol14979	Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1