pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8	AttenGpKa training set	0	-1	CCCCCCC[C@H](C)c1ccc([O-])c(C[NH+](C)C)c1,CCCCCCC[C@H](C)c1ccc(O)c(CN(C)C)c1	CCCCCCC[C@H](C)c1ccc([O-])c(CN(C)C)c1	mol30868	CCCCCCCC(C)c1ccc(O)c(CN(C)C)c1
6.4	AttenGpKa training set	1	0	CCCCCCC[C@H](C)c1ccc(O)c(C[NH+](C)C)c1	CCCCCCC[C@H](C)c1ccc([O-])c(C[NH+](C)C)c1,CCCCCCC[C@H](C)c1ccc(O)c(CN(C)C)c1	mol30868	CCCCCCCC(C)c1ccc(O)c(CN(C)C)c1