smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1[nH]nc2cc(NCc3c4ccccc4cc4ccccc43)ccc12 ZINC000000279500 563235386 /nfs/dbraw/zinc/23/53/86/563235386.db2.gz AJYKXJBEKVNZRF-UHFFFAOYSA-N 0 1 323.399 5.481 50 5 DKBAMN