pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.48	Caine	1	0	Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@H]1C2	Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]1C2	mol2756	Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@H]1C2