pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.19	AttenGpKa training set	2	1	CC(=O)NCc1c(N)[nH+][nH+]n1C	CC(=O)NCc1c([NH3+])nnn1C,CC(=O)NCc1c(N)[nH+]nn1C,CC(=O)NCc1c(N)n[nH+]n1C	mol25417	CC(=O)NCc1c(N)nnn1C