pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Baltruschat ChEMBL	1	0	O=C(NCC[NH2+]C[C@H](O)COc1ccc(O)cc1)N1CCOCC1	O=C(NCCNC[C@H](O)COc1ccc(O)cc1)N1CCOCC1,O=C(NCC[NH2+]C[C@H](O)COc1ccc([O-])cc1)N1CCOCC1	mol17483	O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1