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+]1(CCl)[C@H]2C=C(c3ccccc3-c3ccccc3)C[C@@H]1CC2 ZINC000028564750 717115604 /nfs/dbraw/zinc/11/56/04/717115604.db2.gz WDYVPLUNLVBVMN-BEWYTNLXSA-N 1 0 324.875 5.315 1 50 DKGFRO CCCCCCCCCCCC[N+](C)(C)CCBr ZINC000038158015 717125693 /nfs/dbraw/zinc/12/56/93/717125693.db2.gz VPEUINYNEXONDG-UHFFFAOYSA-N 1 0 321.367 5.379 1 50 DKGFRO