pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.68	IUPAC digitized pKa	0	-1	S=C(S)NC1CCCCC1	S=C([S-])NC1CCCCC1	mol10262	S=C(S)NC1CCCCC1
2.54	IUPAC digitized pKa	0	-1	S=C(S)NC1CCCCC1	S=C([S-])NC1CCCCC1	mol10262	S=C(S)NC1CCCCC1
2.95	Datawarrior	0	-1	S=C(S)NC1CCCCC1	S=C([S-])NC1CCCCC1	mol10262	S=C(S)NC1CCCCC1
2.95000004768372	QSARToolbox	0	-1	S=C(S)NC1CCCCC1	S=C([S-])NC1CCCCC1	mol10262	S=C(S)NC1CCCCC1