pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.62	Datawarrior	0	-1	SCCN(Cc1ccccc1)Cc1ccccc1,[S-]CC[NH+](Cc1ccccc1)Cc1ccccc1	[S-]CCN(Cc1ccccc1)Cc1ccccc1	mol14946	SCCN(Cc1ccccc1)Cc1ccccc1
7.6199999	OCHEM	0	-1	SCCN(Cc1ccccc1)Cc1ccccc1,[S-]CC[NH+](Cc1ccccc1)Cc1ccccc1	[S-]CCN(Cc1ccccc1)Cc1ccccc1	mol14946	SCCN(Cc1ccccc1)Cc1ccccc1
7.61999988555908	QSARToolbox	0	-1	SCCN(Cc1ccccc1)Cc1ccccc1,[S-]CC[NH+](Cc1ccccc1)Cc1ccccc1	[S-]CCN(Cc1ccccc1)Cc1ccccc1	mol14946	SCCN(Cc1ccccc1)Cc1ccccc1