pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.553	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
11.229	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.922	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.63	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.352	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.088	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.732	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
11.14	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
11.6	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.81	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.77	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
11.21	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
11.56	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
11.88	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
11.55	IUPAC digitized pKa	1	0	C[NH2+]C	CNC	mol851	CNC
10.98	Datawarrior	1	0	C[NH2+]C	CNC	mol851	CNC
10.73	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]C	CNC	mol851	CNC
10.78	OCHEM	1	0	C[NH2+]C	CNC	mol851	CNC
10.71	AttenGpKa training set	1	0	C[NH2+]C	CNC	mol851	CNC