pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.565	IUPAC digitized pKa	1	0	C[NH2+][C@@H](C)[C@H](O)c1ccccc1	CN[C@@H](C)[C@H](O)c1ccccc1	mol6234	CN[C@@H](C)[C@H](O)c1ccccc1
9.38	IUPAC digitized pKa	1	0	C[NH2+][C@@H](C)[C@H](O)c1ccccc1	CN[C@@H](C)[C@H](O)c1ccccc1	mol6234	CN[C@@H](C)[C@H](O)c1ccccc1
9.46	Datawarrior	1	0	C[NH2+][C@@H](C)[C@H](O)c1ccccc1	CN[C@@H](C)[C@H](O)c1ccccc1	mol6234	CN[C@@H](C)[C@H](O)c1ccccc1
9.61	OCHEM	1	0	C[NH2+][C@@H](C)[C@H](O)c1ccccc1	CN[C@@H](C)[C@H](O)c1ccccc1	mol6234	CN[C@@H](C)[C@H](O)c1ccccc1
9.74	AttenGpKa training set	1	0	C[NH2+][C@@H](C)[C@H](O)c1ccccc1	CN[C@@H](C)[C@H](O)c1ccccc1	mol6234	CN[C@@H](C)[C@H](O)c1ccccc1