pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.91	Baltruschat ChEMBL	0	-1	CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC	CCOc1cc(CN2CCC(Nc3nc4cc([N-]S(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC	mol20410	CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC