pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.22	Hunt	1	0	CCOC(=O)C1=C(C)[NH2+]C(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12	CCOC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12	mol565	CCOC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12