smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Oc1ccc(/C=N\c2ccc(Cl)cc2[O-])cc1)C(=O)[O-] ZINC000408818188 257226880 /nfs/dbraw/zinc/22/68/80/257226880.db2.gz YDACRLFOUSIYOI-OAOMGELKSA-N -2 1 319.744 3.648 40 30 DHEBML C[C@@H](Oc1ccc(/C=N\c2ccc(Cl)cc2[O-])cc1)C(=O)[O-] ZINC000408818193 257226478 /nfs/dbraw/zinc/22/64/78/257226478.db2.gz YDACRLFOUSIYOI-PQQLAPNWSA-N -2 1 319.744 3.648 40 30 DHEBML