pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	AttenGpKa training set	1	0	CSc1[nH]c2ccc3c(c2[nH+]1)CCCC3	CSc1nc2c3c(ccc2[nH]1)CCCC3	mol26519	CSc1nc2c3c(ccc2[nH]1)CCCC3