pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Datawarrior	1	0	Cc1ccccc1C(=NCCC[NH+](C)C)c1cccc2ccccc12,Cc1ccccc1C(=[NH+]CCCN(C)C)c1cccc2ccccc12	Cc1ccccc1C(=NCCCN(C)C)c1cccc2ccccc12	mol15334	Cc1ccccc1C(=NCCCN(C)C)c1cccc2ccccc12
8.8000002	OCHEM	1	0	Cc1ccccc1C(=NCCC[NH+](C)C)c1cccc2ccccc12,Cc1ccccc1C(=[NH+]CCCN(C)C)c1cccc2ccccc12	Cc1ccccc1C(=NCCCN(C)C)c1cccc2ccccc12	mol15334	Cc1ccccc1C(=NCCCN(C)C)c1cccc2ccccc12
4.14	Datawarrior	2	1	Cc1ccccc1C(=[NH+]CCC[NH+](C)C)c1cccc2ccccc12	Cc1ccccc1C(=NCCC[NH+](C)C)c1cccc2ccccc12,Cc1ccccc1C(=[NH+]CCCN(C)C)c1cccc2ccccc12	mol15334	Cc1ccccc1C(=NCCCN(C)C)c1cccc2ccccc12
4.1399998664856	QSARToolbox	2	1	Cc1ccccc1C(=[NH+]CCC[NH+](C)C)c1cccc2ccccc12	Cc1ccccc1C(=NCCC[NH+](C)C)c1cccc2ccccc12,Cc1ccccc1C(=[NH+]CCCN(C)C)c1cccc2ccccc12	mol15334	Cc1ccccc1C(=NCCCN(C)C)c1cccc2ccccc12