pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55	AttenGpKa training set	1	0	COc1cccc(-n2ccc([NH3+])n2)c1,COc1cccc(-n2ccc(N)[nH+]2)c1	COc1cccc(-n2ccc(N)n2)c1	mol25470	COc1cccc(-n2ccc(N)n2)c1