pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc([NH2+]c2ccccc2C(=O)O)c1C	Cc1cccc(Nc2ccccc2C(=O)O)c1C	mol351	Cc1cccc(Nc2ccccc2C(=O)O)c1C
4.5	OCHEM	1	0	Cc1cccc([NH2+]c2ccccc2C(=O)O)c1C	Cc1cccc(Nc2ccccc2C(=O)O)c1C	mol351	Cc1cccc(Nc2ccccc2C(=O)O)c1C
4.221	OCHEM	1	0	Cc1cccc([NH2+]c2ccccc2C(=O)O)c1C	Cc1cccc(Nc2ccccc2C(=O)O)c1C	mol351	Cc1cccc(Nc2ccccc2C(=O)O)c1C
4.19999980926514	QSARToolbox	1	0	Cc1cccc([NH2+]c2ccccc2C(=O)O)c1C	Cc1cccc(Nc2ccccc2C(=O)O)c1C	mol351	Cc1cccc(Nc2ccccc2C(=O)O)c1C