pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.85	Caine	0	-1	COc1cc(C)cc(Cl)c1[C@H]1C(=O)C[C@H](CC2CCOCC2)C1=O	COc1cc(C)cc(Cl)c1[C@H]1C(=O)[CH-][C@H](CC2CCOCC2)C1=O,COc1cc(C)cc(Cl)c1[C-]1C(=O)C[C@H](CC2CCOCC2)C1=O	mol2740	COc1cc(C)cc(Cl)c1C1C(=O)CC(CC2CCOCC2)C1=O