pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.81	Caine	0	-1	C=CCO/N=C(\CCC)[C@@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	C=CCO/N=C(\CCC)[C-]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	mol2747	C=CCO/N=C(\CCC)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
3.7	Caine	0	-1	C=CCO/N=C(\CCC)[C@@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	C=CCO/N=C(\CCC)[C-]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	mol2747	C=CCO/N=C(\CCC)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O