pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.72000026702881	QSARToolbox	1	0	CC(C)[NH2+]C[C@H](COc1cccc2ccccc12)OC(=O)C1CC1	CC(C)NC[C@H](COc1cccc2ccccc12)OC(=O)C1CC1	mol34476	CC(C)NCC(COc1cccc2ccccc12)OC(=O)C1CC1
8.30000019073486	QSARToolbox	1	0	CC(C)[NH2+]C[C@H](COc1cccc2ccccc12)OC(=O)C1CC1	CC(C)NC[C@H](COc1cccc2ccccc12)OC(=O)C1CC1	mol34476	CC(C)NCC(COc1cccc2ccccc12)OC(=O)C1CC1