pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.92	Caine	0	-1	CC#Cc1cc(C)c([C@H]2C(=O)C[C@H](CC3CCOCC3)C2=O)c(C)c1	CC#Cc1cc(C)c([C@H]2C(=O)[CH-][C@H](CC3CCOCC3)C2=O)c(C)c1,CC#Cc1cc(C)c([C-]2C(=O)C[C@H](CC3CCOCC3)C2=O)c(C)c1	mol2741	CC#Cc1cc(C)c(C2C(=O)CC(CC3CCOCC3)C2=O)c(C)c1