pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	AttenGpKa training set	1	0	CCC[C@H]1C[C@H](c2c[nH+]c[nH]2)CC[C@@H]1OC(=O)/C=C/c1ccccc1	CCC[C@H]1C[C@H](c2cnc[nH]2)CC[C@@H]1OC(=O)/C=C/c1ccccc1	mol25641	CCC[C@H]1CC(c2cnc[nH]2)CC[C@@H]1OC(=O)/C=C/c1ccccc1