pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.13	IUPAC digitized pKa	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
10.03	IUPAC digitized pKa	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
9.77	IUPAC digitized pKa	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
9.98	IUPAC digitized pKa	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
9.93	IUPAC digitized pKa	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
9.9	Datawarrior	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
9.8999996	OCHEM	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
10.08	OCHEM	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1