pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	Baltruschat ChEMBL	1	0	O=C(/C=C/c1ccc(C[NH+](CCc2c[nH]c3ccccc23)CC(F)(F)F)cc1)NO	O=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)CC(F)(F)F)cc1)NO	mol20345	O=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)CC(F)(F)F)cc1)NO