pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	Datawarrior	0	-1	CC(C)CNC=S	CC(C)C[N-]C=S	mol15969	CC(C)CNC=S
12.8000001907349	QSARToolbox	0	-1	CC(C)CNC=S	CC(C)C[N-]C=S	mol15969	CC(C)CNC=S