pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	Baltruschat ChEMBL	1	0	CCOC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1,CCOC(=O)Nc1ccnc([NH+]2CCc3ccccc3C2)c1	CCOC(=O)Nc1ccnc(N2CCc3ccccc3C2)c1	mol18451	CCOC(=O)Nc1ccnc(N2CCc3ccccc3C2)c1