pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.75	Baltruschat ChEMBL	1	0	O=C(/C=C/c1ccc(C[NH+](CCc2c[nH]c3ccccc23)CCC(F)(F)F)cc1)NO	O=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)CCC(F)(F)F)cc1)NO	mol20348	O=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)CCC(F)(F)F)cc1)NO