smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000538097438 388678517 /nfs/dbraw/zinc/67/85/17/388678517.db2.gz KAHJVMWNNTYODV-DZGCQCFKSA-N 1 1 249.423 4.630 20 30 BJEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000538097439 388677852 /nfs/dbraw/zinc/67/78/52/388677852.db2.gz KAHJVMWNNTYODV-HIFRSBDPSA-N 1 1 249.423 4.630 20 30 BJEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000538097440 388678116 /nfs/dbraw/zinc/67/81/16/388678116.db2.gz KAHJVMWNNTYODV-UKRRQHHQSA-N 1 1 249.423 4.630 20 30 BJEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000538097441 388677935 /nfs/dbraw/zinc/67/79/35/388677935.db2.gz KAHJVMWNNTYODV-ZFWWWQNUSA-N 1 1 249.423 4.630 20 30 BJEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000538097463 388678454 /nfs/dbraw/zinc/67/84/54/388678454.db2.gz HJVYRNLYFRSTQV-KBPBESRZSA-N 1 1 249.423 4.630 20 30 BJEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000538097464 388678533 /nfs/dbraw/zinc/67/85/33/388678533.db2.gz HJVYRNLYFRSTQV-KGLIPLIRSA-N 1 1 249.423 4.630 20 30 BJEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000538097466 388678644 /nfs/dbraw/zinc/67/86/44/388678644.db2.gz HJVYRNLYFRSTQV-UONOGXRCSA-N 1 1 249.423 4.630 20 30 BJEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000538097467 388677972 /nfs/dbraw/zinc/67/79/72/388677972.db2.gz HJVYRNLYFRSTQV-ZIAGYGMSSA-N 1 1 249.423 4.630 20 30 BJEDMO