pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.008	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
8.103	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
8.059	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.965	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.925	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.877	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.84	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.796	IUPAC digitized pKa	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.65000009536743	QSARToolbox	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.76000022888184	QSARToolbox	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.6	Novartis	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
7.7	AttenGpKa training set	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O	mol2803	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O