smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)C=Cc1c(=O)[nH]c(C(=O)[O-])cc1O ZINC000013542839 560219378 /nfs/dbraw/zinc/21/93/78/560219378.db2.gz ATWKTZAAIUROID-OWOJBTEDSA-N -2 1 253.166 -0.142 1 30 in-vitro CBEFML O=C([O-])C(=O)C=Cc1c(=O)[nH]c(C(=O)[O-])cc1O ZINC000013542838 560219415 /nfs/dbraw/zinc/21/94/15/560219415.db2.gz ATWKTZAAIUROID-UPHRSURJSA-N -2 1 253.166 -0.142 1 30 in-vitro CBEFML