pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Baltruschat ChEMBL	1	0	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc([NH+]3CCOCC3)n2)cn1,Nc1cc(C(F)(F)F)c(-c2cc([NH+]3CCOCC3)nc(N3CCOCC3)n2)cn1	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1	mol17098	Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1