pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.38	IUPAC digitized pKa	1	0	C[C@@H](C[NH3+])c1ccccc1	C[C@@H](CN)c1ccccc1	mol3427	CC(CN)c1ccccc1
10.27	IUPAC digitized pKa	1	0	C[C@@H](C[NH3+])c1ccccc1	C[C@@H](CN)c1ccccc1	mol3427	CC(CN)c1ccccc1
9.94	Datawarrior	1	0	C[C@@H](C[NH3+])c1ccccc1	C[C@@H](CN)c1ccccc1	mol3427	CC(CN)c1ccccc1
9.9399996	OCHEM	1	0	C[C@@H](C[NH3+])c1ccccc1	C[C@@H](CN)c1ccccc1	mol3427	CC(CN)c1ccccc1
8.9	OCHEM	1	0	C[C@@H](C[NH3+])c1ccccc1	C[C@@H](CN)c1ccccc1	mol3427	CC(CN)c1ccccc1
10.325	OCHEM	1	0	C[C@@H](C[NH3+])c1ccccc1	C[C@@H](CN)c1ccccc1	mol3427	CC(CN)c1ccccc1