pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.32999992370606	QSARToolbox	2	1	CC(C)[NH2+]C[C@@H](O)COc1cc(OC[C@@H](O)C[NH2+]C(C)C)c2ccccc2c1	CC(C)NC[C@H](O)COc1cc(OC[C@H](O)C[NH2+]C(C)C)cc2ccccc12,CC(C)NC[C@@H](O)COc1cc(OC[C@@H](O)C[NH2+]C(C)C)c2ccccc2c1	mol34480	CC(C)NCC(O)COc1cc(OCC(O)CNC(C)C)c2ccccc2c1