pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	Caine	0	-1	CC#Cc1cc(Cl)c(C2C(=O)CC3(CCOCC3)CC2=O)c(OC)c1	CC#Cc1cc(Cl)c([C-]2C(=O)CC3(CCOCC3)CC2=O)c(OC)c1	mol2714	CC#Cc1cc(Cl)c(C2C(=O)CC3(CCOCC3)CC2=O)c(OC)c1