pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13000011444092	QSARToolbox	1	0	CC(C)[NH2+]C[C@H](COc1cccc2ccccc12)OC(=O)C(C)C	CC(C)NC[C@H](COc1cccc2ccccc12)OC(=O)C(C)C	mol38342	CC(C)NCC(COc1cccc2ccccc12)OC(=O)C(C)C