pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Baltruschat ChEMBL	1	0	c1cnc(OC[C@H]2C[C@H](c3ccc(C[NH+]4CCCC4)cc3)C2)nc1	c1cnc(OC[C@H]2C[C@H](c3ccc(CN4CCCC4)cc3)C2)nc1	mol18754	c1cnc(OC[C@H]2C[C@H](c3ccc(CN4CCCC4)cc3)C2)nc1