smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000217628894 568883399 /nfs/dbraw/zinc/88/33/99/568883399.db2.gz RXSJDMJKDUSMSN-KRCALCKTSA-N 0 1 447.491 1.585 50 70 IDIAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000217597156 568883149 /nfs/dbraw/zinc/88/31/49/568883149.db2.gz KSXPGDMDBZILQH-CKHWXHELSA-N 0 1 433.464 1.589 50 70 IDIAMN