pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	CNc1cc[nH+]c(N2CCc3ccccc3C2)c1,C[NH2+]c1ccnc(N2CCc3ccccc3C2)c1,CNc1ccnc([NH+]2CCc3ccccc3C2)c1	CNc1ccnc(N2CCc3ccccc3C2)c1	mol18456	CNc1ccnc(N2CCc3ccccc3C2)c1
8.9	Baltruschat ChEMBL	1	0	CNc1cc[nH+]c(N2CCc3ccccc3C2)c1,C[NH2+]c1ccnc(N2CCc3ccccc3C2)c1,CNc1ccnc([NH+]2CCc3ccccc3C2)c1	CNc1ccnc(N2CCc3ccccc3C2)c1	mol18456	CNc1ccnc(N2CCc3ccccc3C2)c1