pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	1	0	COc1ccccc1/C(=[NH+]/CCCN(C)C)c1ccccc1,COc1ccccc1/C(=N/CCC[NH+](C)C)c1ccccc1	COc1ccccc1/C(=N/CCCN(C)C)c1ccccc1	mol15088	COc1ccccc1/C(=N/CCCN(C)C)c1ccccc1
4.62	Datawarrior	2	1	COc1ccccc1/C(=[NH+]/CCC[NH+](C)C)c1ccccc1	COc1ccccc1/C(=[NH+]/CCCN(C)C)c1ccccc1,COc1ccccc1/C(=N/CCC[NH+](C)C)c1ccccc1	mol15088	COc1ccccc1/C(=N/CCCN(C)C)c1ccccc1