smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCOc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[nH]2)cc1OC ZINC000034767471 555907124 /nfs/dbraw/zinc/90/71/24/555907124.db2.gz GQOFYLSROBEQPS-UHFFFAOYSA-N 0 2 435.484 2.852 10 30 IFEELN