smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(C)=C(C(=O)NC(C)C)[C@H](c2ccccc2Cl)C(C(=O)O)=C1C(=O)[O-] ZINC000013553488 581098257 /nfs/dbraw/zinc/09/82/57/581098257.db2.gz OAVAPCQUXMEVTP-HNNXBMFYSA-N -1 2 406.866 2.981 1 0 HFAFLM CCN1C(C)=C(C(=O)NC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)O)=C1C(=O)[O-] ZINC000013553487 581098239 /nfs/dbraw/zinc/09/82/39/581098239.db2.gz OAVAPCQUXMEVTP-OAHLLOKOSA-N -1 2 406.866 2.981 1 0 HFAFLM