pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.03	AttenGpKa training set	1	0	CC(C)[NH2+]C[C@H](O)COc1cc2ccccc2c2ccccc12	CC(C)NC[C@H](O)COc1cc2ccccc2c2ccccc12	mol24419	CC(C)NCC(O)COc1cc2ccccc2c2ccccc12