pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.25	Datawarrior	1	0	Cc1ccccc1C(=[NH+]CCCN(C)C)c1ccccc1-c1ccccc1,Cc1ccccc1C(=NCCC[NH+](C)C)c1ccccc1-c1ccccc1	Cc1ccccc1C(=NCCCN(C)C)c1ccccc1-c1ccccc1	mol15600	Cc1ccccc1C(=NCCCN(C)C)c1ccccc1-c1ccccc1
4.67	Datawarrior	2	1	Cc1ccccc1C(=[NH+]CCC[NH+](C)C)c1ccccc1-c1ccccc1	Cc1ccccc1C(=[NH+]CCCN(C)C)c1ccccc1-c1ccccc1,Cc1ccccc1C(=NCCC[NH+](C)C)c1ccccc1-c1ccccc1	mol15600	Cc1ccccc1C(=NCCCN(C)C)c1ccccc1-c1ccccc1
4.67000007629395	QSARToolbox	2	1	Cc1ccccc1C(=[NH+]CCC[NH+](C)C)c1ccccc1-c1ccccc1	Cc1ccccc1C(=[NH+]CCCN(C)C)c1ccccc1-c1ccccc1,Cc1ccccc1C(=NCCC[NH+](C)C)c1ccccc1-c1ccccc1	mol15600	Cc1ccccc1C(=NCCCN(C)C)c1ccccc1-c1ccccc1