pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	AttenGpKa training set	1	0	c1ccc2c([NH2+]C3CCCCC3)c3ccccc3nc2c1,c1ccc2c(NC3CCCCC3)c3ccccc3[nH+]c2c1	c1ccc2c(NC3CCCCC3)c3ccccc3nc2c1	mol26726	c1ccc2c(NC3CCCCC3)c3ccccc3nc2c1