pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.86	Datawarrior	1	0	NC(=[SH+])NCc1ccccc1	NC(=S)NCc1ccccc1	mol14151	NC(=S)NCc1ccccc1
0.86000001	OCHEM	1	0	NC(=[SH+])NCc1ccccc1	NC(=S)NCc1ccccc1	mol14151	NC(=S)NCc1ccccc1
0.860000014305115	QSARToolbox	1	0	NC(=[SH+])NCc1ccccc1	NC(=S)NCc1ccccc1	mol14151	NC(=S)NCc1ccccc1