pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	1	0	O=C(c1cc2cc(OC3CC[NH+](C4CC4)CC3)ccc2[nH]1)N1CCOCC1	O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1	mol19167	O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1