pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	Datawarrior	0	-1	Cn1cnc2c1NC=NS2(=O)=O	Cn1cnc2c1[N-]C=NS2(=O)=O	mol12765	Cn1cnc2c1NC=NS2(=O)=O
4.4499998	OCHEM	0	-1	Cn1cnc2c1NC=NS2(=O)=O	Cn1cnc2c1[N-]C=NS2(=O)=O	mol12765	Cn1cnc2c1NC=NS2(=O)=O
4.44999980926514	QSARToolbox	0	-1	Cn1cnc2c1NC=NS2(=O)=O	Cn1cnc2c1[N-]C=NS2(=O)=O	mol12765	Cn1cnc2c1NC=NS2(=O)=O