pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3	Datawarrior	0	-1	S=CNCc1ccccc1	S=C[N-]Cc1ccccc1	mol13027	S=CNCc1ccccc1
12.3000001907349	QSARToolbox	0	-1	S=CNCc1ccccc1	S=C[N-]Cc1ccccc1	mol13027	S=CNCc1ccccc1