pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.946	IUPAC digitized pKa	1	0	Cc1cc(C)c(C(=O)NCC[NH+](C)C)c(C)c1	Cc1cc(C)c(C(=O)NCCN(C)C)c(C)c1	mol6185	Cc1cc(C)c(C(=O)NCCN(C)C)c(C)c1
7.95	AttenGpKa training set	1	0	Cc1cc(C)c(C(=O)NCC[NH+](C)C)c(C)c1	Cc1cc(C)c(C(=O)NCCN(C)C)c(C)c1	mol6185	Cc1cc(C)c(C(=O)NCCN(C)C)c(C)c1