smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(CN2CCCCCC2=O)cc1 ZINC000004245357 342745360 /nfs/dbraw/zinc/74/53/60/342745360.db2.gz CZHZNWDGONOBFR-UHFFFAOYSA-N 0 0 218.300 2.171 30 10 BECCRN