pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.6	Datawarrior	1	0	COc1ccc(C(N)=[OH+])cc1	COc1ccc(C(N)=O)cc1	mol3440	COc1ccc(C(N)=O)cc1
-1.43	AttenGpKa training set	1	0	COc1ccc(C(N)=[OH+])cc1	COc1ccc(C(N)=O)cc1	mol3440	COc1ccc(C(N)=O)cc1