pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.47000002861023	QSARToolbox	0	-1	CCC[C@@H](C)[C@@H]1C(=O)NC(=S)N=C1O	CCC[C@@H](C)[C@@H]1C(=O)NC(=S)N=C1[O-]	mol13236	CCCC(C)C1C(=O)NC(=S)N=C1O
11.41	Datawarrior	-1	-2	CCC[C@@H](C)[C@@H]1C(=O)NC(=S)N=C1[O-]	CCC[C@@H](C)[c-]1c(O)nc(=S)[n-]c1=O,CCC[C@@H](C)[c-]1c([O-])nc(=S)[nH]c1=O,CCC[C@@H](C)[C@@H]1C(=O)[N-]C(=S)N=C1[O-]	mol13236	CCCC(C)C1C(=O)NC(=S)N=C1O