pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	1	0	OCCNc1cc[nH+]c(N2CCc3ccccc3C2)c1,OCC[NH2+]c1ccnc(N2CCc3ccccc3C2)c1,OCCNc1ccnc([NH+]2CCc3ccccc3C2)c1	OCCNc1ccnc(N2CCc3ccccc3C2)c1	mol18441	OCCNc1ccnc(N2CCc3ccccc3C2)c1