pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	Baltruschat ChEMBL	1	0	COc1ccc(F)cc1C[NH2+]CCCNc1ccnc2cc(Cc3cccc(C(F)(F)F)c3)ccc12,COc1ccc(F)cc1CNCCCNc1cc[nH+]c2cc(Cc3cccc(C(F)(F)F)c3)ccc12,COc1ccc(F)cc1CNCCC[NH2+]c1ccnc2cc(Cc3cccc(C(F)(F)F)c3)ccc12	COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3cccc(C(F)(F)F)c3)ccc12	mol16930	COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3cccc(C(F)(F)F)c3)ccc12