pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.45	Datawarrior	1	0	Nc1[nH+]sc2ccccc12,[NH3+]c1nsc2ccccc12	Nc1nsc2ccccc12	mol13166	Nc1nsc2ccccc12
2.45000004768372	QSARToolbox	1	0	Nc1[nH+]sc2ccccc12,[NH3+]c1nsc2ccccc12	Nc1nsc2ccccc12	mol13166	Nc1nsc2ccccc12