pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.33	Datawarrior	0	-1	O=C1C[C@H](Sc2ccccc2)N1	O=C1C[C@H](Sc2ccccc2)[N-]1	mol12834	O=C1CC(Sc2ccccc2)N1
13.3299999237061	QSARToolbox	0	-1	O=C1C[C@H](Sc2ccccc2)N1	O=C1C[C@H](Sc2ccccc2)[N-]1	mol12834	O=C1CC(Sc2ccccc2)N1