pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.79	AttenGpKa training set	1	0	CCC(=O)[C@H](C)C(=O)c1c[n+](C)c2[nH]c(=O)n(C)c(=O)c2n1	CCC(=O)[C@H](C)C(=O)c1c[n+](C)c2[n-]c(=O)n(C)c(=O)c2n1	mol29820	CCC(=O)C(C)C(=O)c1c[n+](C)c2[nH]c(=O)n(C)c(=O)c2n1