pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	AttenGpKa training set	2	1	CC(=O)NCc1[nH+][nH+]n(Cc2ccccc2)c1N	CC(=O)NCc1nnn(Cc2ccccc2)c1[NH3+],CC(=O)NCc1[nH+]nn(Cc2ccccc2)c1N,CC(=O)NCc1n[nH+]n(Cc2ccccc2)c1N	mol7637	CC(=O)NCc1nnn(Cc2ccccc2)c1N