pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	OCHEM	0	-1	Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CCNCC1	Cc1c(Cl)cccc1-n1ncc(C(=O)[N-]c2nccs2)c1C1CCNCC1	mol394	Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CCNCC1
9.9	AvLiLuMoVe	0	-1	Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CCNCC1	Cc1c(Cl)cccc1-n1ncc(C(=O)[N-]c2nccs2)c1C1CCNCC1	mol394	Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CCNCC1
9.4	OCHEM	1	0	Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CC[NH2+]CC1	Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CCNCC1	mol394	Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CCNCC1