pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Baltruschat ChEMBL	1	0	O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(C[NH+]3CC4(COC4)C3)cc2)C1	O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(COC4)C3)cc2)C1	mol17750	O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(COC4)C3)cc2)C1