smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC(=O)C(=O)c1ccc([O-])cc1[O-] ZINC000001563302 342703197 /nfs/dbraw/zinc/70/31/97/342703197.db2.gz XPGRGRKFZXQRJZ-UHFFFAOYSA-N -2 3 236.267 2.430 40 10 BECBHL CCCCC(=O)C(=O)c1ccc([O-])cc1[O-] ZINC000001563291 388829701 /nfs/dbraw/zinc/82/97/01/388829701.db2.gz KNOULTNCRFHHED-UHFFFAOYSA-N -2 3 222.240 2.040 40 10 BECBHL CCCCC(=O)C(=O)c1ccc([O-])c(C)c1[O-] ZINC000001561429 383905979 /nfs/dbraw/zinc/90/59/79/383905979.db2.gz SYNXDXRPOITMQJ-UHFFFAOYSA-N -2 3 236.267 2.348 40 10 BECBHL