pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Baltruschat ChEMBL	2	1	Fc1ccc(N2CC[NH+](Cc3ccn4c(CC5CC5)[nH+]nc4c3C(F)(F)F)CC2)c(F)c1,Fc1ccc(N2CC[NH+](Cc3ccn4c(CC5CC5)n[nH+]c4c3C(F)(F)F)CC2)c(F)c1,Fc1ccc([NH+]2CC[NH+](Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1	Fc1ccc(N2CC[NH+](Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1	mol20485	Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1