pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.30000019073486	QSARToolbox	1	0	CC(C)NC[C@@H](O)COc1cccc2c(OC[C@@H](O)C[NH2+]C(C)C)cccc12	CC(C)NC[C@@H](O)COc1cccc2c(OC[C@@H](O)CNC(C)C)cccc12	mol34487	CC(C)NCC(O)COc1cccc2c(OCC(O)CNC(C)C)cccc12