pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	Datawarrior	2	1	Cc1ccc([C@H]2CCC[NH+]2C)c[nH+]1	Cc1ccc([C@H]2CCC[NH+]2C)cn1	mol13749	Cc1ccc(C2CCCN2C)cn1
3.77999997138977	QSARToolbox	2	1	Cc1ccc([C@H]2CCC[NH+]2C)c[nH+]1	Cc1ccc([C@H]2CCC[NH+]2C)cn1	mol13749	Cc1ccc(C2CCCN2C)cn1