pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.35	Caine	0	-1	CCO/N=C(\CC)[C@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)CC1=O	CCO/N=C(\CC)[C-]1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O	mol2753	CCO/N=C(\CC)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O
4.98	Caine	0	-1	CCO/N=C(\CC)[C@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)CC1=O	CCO/N=C(\CC)[C-]1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O	mol2753	CCO/N=C(\CC)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O