pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.82	Baltruschat ChEMBL	1	0	c1cc([C@H]2CC[C@@]3(CC2)C[C@@]2(OO3)[C@H]3C[C@@H]4C[C@H](C3)C[C@H]2C4)ccc1OCC[NH+]1CCOCC1	c1cc([C@H]2CC[C@@]3(CC2)C[C@@]2(OO3)[C@H]3C[C@@H]4C[C@H](C3)C[C@H]2C4)ccc1OCCN1CCOCC1	mol17207	c1cc([C@H]2CC[C@@]3(CC2)C[C@@]2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1