pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.59	Datawarrior	1	0	Cc1ccnc(NS(=O)(=O)c2ccccc2)[nH+]1,Cc1ccnc([NH2+]S(=O)(=O)c2ccccc2)n1,Cc1cc[nH+]c(NS(=O)(=O)c2ccccc2)n1	Cc1ccnc(NS(=O)(=O)c2ccccc2)n1	mol15216	Cc1ccnc(NS(=O)(=O)c2ccccc2)n1
0.58999997	OCHEM	1	0	Cc1ccnc(NS(=O)(=O)c2ccccc2)[nH+]1,Cc1ccnc([NH2+]S(=O)(=O)c2ccccc2)n1,Cc1cc[nH+]c(NS(=O)(=O)c2ccccc2)n1	Cc1ccnc(NS(=O)(=O)c2ccccc2)n1	mol15216	Cc1ccnc(NS(=O)(=O)c2ccccc2)n1