pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.71	Baltruschat ChEMBL	1	0	O=C1NC[C@@H](c2ccccc2)C12CC[NH+](C1(c3ccccc3)CCOCC1)CC2	O=C1NC[C@@H](c2ccccc2)C12CCN(C1(c3ccccc3)CCOCC1)CC2	mol20422	O=C1NCC(c2ccccc2)C12CCN(C1(c3ccccc3)CCOCC1)CC2