pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.17	Baltruschat ChEMBL	2	1	CC[NH+](CC)Cc1c(O)c(F)c(F)c([NH2+]c2ccnc3cc(Cl)ccc23)c1F,CC[NH+](CC)Cc1c(O)c(F)c(F)c(Nc2cc[nH+]c3cc(Cl)ccc23)c1F	CCN(CC)Cc1c(O)c(F)c(F)c([NH2+]c2ccnc3cc(Cl)ccc23)c1F,CCN(CC)Cc1c(O)c(F)c(F)c(Nc2cc[nH+]c3cc(Cl)ccc23)c1F,CC[NH+](CC)Cc1c([O-])c(F)c(F)c(Nc2cc[nH+]c3cc(Cl)ccc23)c1F,CC[NH+](CC)Cc1c(O)c(F)c(F)c(Nc2ccnc3cc(Cl)ccc23)c1F	mol20939	CCN(CC)Cc1c(O)c(F)c(F)c(Nc2ccnc3cc(Cl)ccc23)c1F