smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)cc1 ZINC000001504197 386612444 /nfs/dbraw/zinc/61/24/44/386612444.db2.gz USZFVRYCAHSOOX-UHFFFAOYSA-N 2 0 222.376 2.099 50 5 BEBARP C[N+]1(C)CCC[C@H](C[N+]2(C)CCCCCC2)C1 ZINC000526051548 323000937 /nfs/dbraw/zinc/00/09/37/323000937.db2.gz FCUBVWWNZUMCPI-HNNXBMFYSA-N 2 0 240.435 2.493 50 5 BEBARP C[N+](C)(C)CCCCC[N+]1(C)CCCC1 ZINC000585152281 344226145 /nfs/dbraw/zinc/22/61/45/344226145.db2.gz JQDLGOBFUBDWRV-UHFFFAOYSA-N 2 0 214.397 2.103 50 5 BEBARP C[N+](C)(C)CCCC[N+]1(C)CCCCC1 ZINC000585152330 344227716 /nfs/dbraw/zinc/22/77/16/344227716.db2.gz QBVAIVLOBLSKDF-UHFFFAOYSA-N 2 0 214.397 2.103 50 5 BEBARP C[N+](C)(C)CCCCCC[N+]1(C)CCCC1 ZINC000585152229 344226530 /nfs/dbraw/zinc/22/65/30/344226530.db2.gz COZRIPNDVAAFCH-UHFFFAOYSA-N 2 0 228.424 2.493 50 5 BEBARP C[N+]1(CC[N+]2(C)CCCCC2)CCCCC1 ZINC000000053407 177488303 /nfs/dbraw/zinc/48/83/03/177488303.db2.gz AIWZCTOUXBMFJL-UHFFFAOYSA-N 2 0 226.408 2.247 50 5 BEBARP C[N+]1(C)CCC[C@@H](C[N+]2(C)CCCCCC2)C1 ZINC000526051549 323000924 /nfs/dbraw/zinc/00/09/24/323000924.db2.gz FCUBVWWNZUMCPI-OAHLLOKOSA-N 2 0 240.435 2.493 50 5 BEBARP C[N+](C)(C)CCCCC[N+]1(C)CCCCC1 ZINC000585152259 344226503 /nfs/dbraw/zinc/22/65/03/344226503.db2.gz HLGJPCZSDVJLHC-UHFFFAOYSA-N 2 0 228.424 2.493 50 5 BEBARP