smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217386962 372866912 /nfs/dbraw/zinc/86/69/12/372866912.db2.gz ZZFPBRBQJJWPDK-TUAOUCFPSA-N 2 0 263.341 -0.413 40 70 CBIBRP CN1[SiH](C)[NH+](C)[SiH](C)N(C)[SiH](C)[NH+](C)[SiH]1C ZINC000195772394 352228047 /nfs/dbraw/zinc/22/80/47/352228047.db2.gz BGMNUYOGMMCWIX-UHFFFAOYSA-N 2 0 292.684 -0.872 40 70 CBIBRP