smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-] ZINC000218305281 568478104 /nfs/dbraw/zinc/47/81/04/568478104.db2.gz DIEJLDSAAMTPEE-CQSZACIVSA-N -2 3 423.849 2.232 50 70 HEIAHL COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-] ZINC000218305340 568478117 /nfs/dbraw/zinc/47/81/17/568478117.db2.gz DIEJLDSAAMTPEE-AWEZNQCLSA-N -2 3 423.849 2.232 50 70 HEIAHL