pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.33	IUPAC digitized pKa	1	0	Cc1cccc(C[NH3+])c1	Cc1cccc(CN)c1	mol1895	Cc1cccc(CN)c1
9.45	IUPAC digitized pKa	1	0	Cc1cccc(C[NH3+])c1	Cc1cccc(CN)c1	mol1895	Cc1cccc(CN)c1
9.37	Datawarrior	1	0	Cc1cccc(C[NH3+])c1	Cc1cccc(CN)c1	mol1895	Cc1cccc(CN)c1
9.3699999	OCHEM	1	0	Cc1cccc(C[NH3+])c1	Cc1cccc(CN)c1	mol1895	Cc1cccc(CN)c1
9.389999	OCHEM	1	0	Cc1cccc(C[NH3+])c1	Cc1cccc(CN)c1	mol1895	Cc1cccc(CN)c1
9.4	AttenGpKa training set	1	0	Cc1cccc(C[NH3+])c1	Cc1cccc(CN)c1	mol1895	Cc1cccc(CN)c1