pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.21	OCHEM	1	0	CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1	CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1	mol143	CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
9.4	Baltruschat ChEMBL	1	0	CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1	CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1	mol143	CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1