pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	Baltruschat ChEMBL	1	0	Cc1cccc(C)c1C[NH2+]c1nc(N2CCOCC2=O)cc2c(C)c(C)n(CCO)c12,Cc1cccc(C)c1CNc1[nH+]c(N2CCOCC2=O)cc2c(C)c(C)n(CCO)c12	Cc1cccc(C)c1CNc1nc(N2CCOCC2=O)cc2c(C)c(C)n(CCO)c12	mol19036	Cc1cccc(C)c1CNc1nc(N2CCOCC2=O)cc2c(C)c(C)n(CCO)c12