pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	CN(C)c1cc[nH+]c(N2CCc3ccccc3C2)c1,C[NH+](C)c1ccnc(N2CCc3ccccc3C2)c1,CN(C)c1ccnc([NH+]2CCc3ccccc3C2)c1	CN(C)c1ccnc(N2CCc3ccccc3C2)c1	mol18462	CN(C)c1ccnc(N2CCc3ccccc3C2)c1