pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.34	Datawarrior	2	1	COc1ccc([C@@H]2CCC[NH+]2C)c[nH+]1	COc1ccc([C@@H]2CCC[NH+]2C)cn1	mol13404	COc1ccc(C2CCCN2C)cn1
1.3400000333786	QSARToolbox	2	1	COc1ccc([C@@H]2CCC[NH+]2C)c[nH+]1	COc1ccc([C@@H]2CCC[NH+]2C)cn1	mol13404	COc1ccc(C2CCCN2C)cn1