smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1N=Nc1ccc([N+]#N)c(C)c1 ZINC000256090293 179297115 /nfs/dbraw/zinc/29/71/15/179297115.db2.gz NAAZRWOXBIIYRD-UHFFFAOYSA-N 1 0 237.286 5.203 50 10 BKCARO