pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.16	Datawarrior	0	-1	S=C(NCc1ccccc1)c1ccccc1	S=C([N-]Cc1ccccc1)c1ccccc1	mol14566	S=C(NCc1ccccc1)c1ccccc1
12.1599998474121	QSARToolbox	0	-1	S=C(NCc1ccccc1)c1ccccc1	S=C([N-]Cc1ccccc1)c1ccccc1	mol14566	S=C(NCc1ccccc1)c1ccccc1