pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	1	0	OCCN1CC[NH+](CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,OCC[NH+]1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	mol17461	OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1