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](C(=O)N[C@H](Cc1ccccc1)C(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O ZINC000096448615 208316351 /nfs/dbraw/zinc/31/63/51/208316351.db2.gz LELILLRGILQAEH-CXAGYDPISA-O 0 3 391.407 1.278 10 10 GDCEHN [N-]=[N+]=CC(=O)CCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000096449038 211341214 /nfs/dbraw/zinc/34/12/14/211341214.db2.gz URRNPYKEVJIPKF-GOSISDBHSA-O 0 3 391.407 1.279 10 10 GDCEHN