pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Baltruschat ChEMBL	1	0	O=C(/C=N/O)c1ccc(OCC2CC[NH+](Cc3ccccc3)CC2)nc1	O=C(/C=N/[O-])c1ccc(OCC2CC[NH+](Cc3ccccc3)CC2)nc1,O=C(/C=N/O)c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1	mol18816	O=C(/C=N/O)c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1