smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000552225383 341379405 /nfs/dbraw/zinc/37/94/05/341379405.db2.gz FYWHUKRQAXRIPO-ROUUACIJSA-N 1 3 304.478 4.531 20 30 DJEDHO C=CCC[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000552225383 341379406 /nfs/dbraw/zinc/37/94/06/341379406.db2.gz FYWHUKRQAXRIPO-ROUUACIJSA-N 1 3 304.478 4.531 20 30 DJEDHO C=CCC[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000552225384 341379445 /nfs/dbraw/zinc/37/94/45/341379445.db2.gz FYWHUKRQAXRIPO-ZWKOTPCHSA-N 1 3 304.478 4.531 20 30 DJEDHO C=CCC[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000552225384 341379446 /nfs/dbraw/zinc/37/94/46/341379446.db2.gz FYWHUKRQAXRIPO-ZWKOTPCHSA-N 1 3 304.478 4.531 20 30 DJEDHO C=CCC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000552225381 341379431 /nfs/dbraw/zinc/37/94/31/341379431.db2.gz FYWHUKRQAXRIPO-MSOLQXFVSA-N 1 3 304.478 4.531 20 30 DJEDHO C=CCC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000552225381 341379432 /nfs/dbraw/zinc/37/94/32/341379432.db2.gz FYWHUKRQAXRIPO-MSOLQXFVSA-N 1 3 304.478 4.531 20 30 DJEDHO C=CCC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000552225382 341379557 /nfs/dbraw/zinc/37/95/57/341379557.db2.gz FYWHUKRQAXRIPO-QZTJIDSGSA-N 1 3 304.478 4.531 20 30 DJEDHO C=CCC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000552225382 341379558 /nfs/dbraw/zinc/37/95/58/341379558.db2.gz FYWHUKRQAXRIPO-QZTJIDSGSA-N 1 3 304.478 4.531 20 30 DJEDHO