pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	Caine	0	-1	CC/C(=N\OC/C=C/Cl)[C@H]1C(=O)C[C@H](C2CCOCC2)CC1=O	CC/C(=N\OC/C=C/Cl)[C-]1C(=O)CC(C2CCOCC2)CC1=O	mol2752	CC/C(=N\OC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O
4.58	Caine	0	-1	CC/C(=N\OC/C=C/Cl)[C@H]1C(=O)C[C@H](C2CCOCC2)CC1=O	CC/C(=N\OC/C=C/Cl)[C-]1C(=O)CC(C2CCOCC2)CC1=O	mol2752	CC/C(=N\OC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O