pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84000015258789	QSARToolbox	0	-1	N#CC(C#N)[C@H](c1cccc(Cl)c1)N1CCOCC1	N#C[C-](C#N)[C@H](c1cccc(Cl)c1)N1CCOCC1	mol37084	N#CC(C#N)C(c1cccc(Cl)c1)N1CCOCC1