pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	AttenGpKa training set	1	0	Cc1cc2c(OC[C@H](C[NH2+]C(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1	Cc1cc2c(OC[C@H](CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1	mol29982	Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1