pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.41	Datawarrior	1	0	CCOc1ccc([NH2+]c2ccccc2)cc1	CCOc1ccc(Nc2ccccc2)cc1	mol14576	CCOc1ccc(Nc2ccccc2)cc1
1.48000001907349	QSARToolbox	1	0	CCOc1ccc([NH2+]c2ccccc2)cc1	CCOc1ccc(Nc2ccccc2)cc1	mol14576	CCOc1ccc(Nc2ccccc2)cc1
1.269	AttenGpKa training set	1	0	CCOc1ccc([NH2+]c2ccccc2)cc1	CCOc1ccc(Nc2ccccc2)cc1	mol14576	CCOc1ccc(Nc2ccccc2)cc1