pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95	Datawarrior	1	0	[NH3+]CCCCCCNC(=S)S	[NH3+]CCCCCCNC(=S)[S-]	mol14054	NCCCCCCNC(=S)S
2.95000004768372	QSARToolbox	1	0	[NH3+]CCCCCCNC(=S)S	[NH3+]CCCCCCNC(=S)[S-]	mol14054	NCCCCCCNC(=S)S