pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Novartis	1	0	O=C(CSc1[nH+]ccn1C1CCCC1)Nc1ccc(C(F)(F)F)cc1	O=C(CSc1nccn1C1CCCC1)Nc1ccc(C(F)(F)F)cc1	mol2974	O=C(CSc1nccn1C1CCCC1)Nc1ccc(C(F)(F)F)cc1