smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC(C)=C1SC(=S)[N-]C1=O ZINC000003160768 346869636 /nfs/dbraw/zinc/86/96/36/346869636.db2.gz BACSRAZDDCGUQS-CMDGGOBGSA-N -1 1 243.397 3.379 50 10 BGCAMM CSC(=S)[N-]Cc1ccc(Cl)cc1 ZINC000004105397 175441743 /nfs/dbraw/zinc/44/17/43/175441743.db2.gz LIMPKEZVOAQSOD-UHFFFAOYSA-N -1 1 231.773 3.078 50 10 BGCAMM O=[N+]([N-]c1cccc(O)c1)c1cccc([O-])c1 ZINC000245239158 188192126 /nfs/dbraw/zinc/19/21/26/188192126.db2.gz FZZROTIREDKBGJ-UHFFFAOYSA-N -1 1 230.223 3.024 50 10 BGCAMM