pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.59	IUPAC digitized pKa	1	0	C[NH+](C)c1ccc(N)cc1,CN(C)c1ccc([NH3+])cc1	CN(C)c1ccc(N)cc1	mol3346	CN(C)c1ccc(N)cc1
6.37	Datawarrior	1	0	C[NH+](C)c1ccc(N)cc1,CN(C)c1ccc([NH3+])cc1	CN(C)c1ccc(N)cc1	mol3346	CN(C)c1ccc(N)cc1
6.3699999	OCHEM	1	0	C[NH+](C)c1ccc(N)cc1,CN(C)c1ccc([NH3+])cc1	CN(C)c1ccc(N)cc1	mol3346	CN(C)c1ccc(N)cc1
6.71	Baltruschat ChEMBL	1	0	C[NH+](C)c1ccc(N)cc1,CN(C)c1ccc([NH3+])cc1	CN(C)c1ccc(N)cc1	mol3346	CN(C)c1ccc(N)cc1
6.4	AttenGpKa training set	1	0	C[NH+](C)c1ccc(N)cc1,CN(C)c1ccc([NH3+])cc1	CN(C)c1ccc(N)cc1	mol3346	CN(C)c1ccc(N)cc1
3.73	Datawarrior	2	1	C[NH+](C)c1ccc([NH3+])cc1	C[NH+](C)c1ccc(N)cc1,CN(C)c1ccc([NH3+])cc1	mol3346	CN(C)c1ccc(N)cc1
2.38	AttenGpKa training set	2	1	C[NH+](C)c1ccc([NH3+])cc1	C[NH+](C)c1ccc(N)cc1,CN(C)c1ccc([NH3+])cc1	mol3346	CN(C)c1ccc(N)cc1