smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1c(F)cccc1Cl ZINC000001436805 209328072 /nfs/dbraw/zinc/32/80/72/209328072.db2.gz STFMVAFRKLDZMW-SJJOQSKNSA-N 1 3 394.924 5.051 50 30 GKEAHO CCCCCCCCCCCCCCCCCNC1=[NH+]CCN1C1=NCCN1 ZINC000097973096 519991186 /nfs/dbraw/zinc/99/11/86/519991186.db2.gz MMCAGXPNGFAAPS-UHFFFAOYSA-N 1 3 391.648 5.078 50 30 GKEAHO CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1c(F)cccc1Cl ZINC000001436807 206381905 /nfs/dbraw/zinc/38/19/05/206381905.db2.gz STFMVAFRKLDZMW-NBZOHKLQSA-N 1 3 394.924 5.051 50 30 GKEAHO