pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.83	Manchester	1	0	O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](C[NH+]4CCOCC4)C3)nc2)c(F)c1	O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](CN4CCOCC4)C3)nc2)c(F)c1	mol2631	O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](CN4CCOCC4)C3)nc2)c(F)c1