pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	AttenGpKa training set	0	-1	CCO/N=C(\CC)C1=C(O)C[C@H](c2c(C)cc(C)cc2C)CC1=O	CCO/N=C(\CC)C1=C([O-])C[C@H](c2c(C)cc(C)cc2C)CC1=O	mol29880	CCO/N=C(\CC)C1=C(O)CC(c2c(C)cc(C)cc2C)CC1=O