smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000004575415 204054820 /nfs/dbraw/zinc/05/48/20/204054820.db2.gz FEAQWJCSXAEEHC-PTNGSMBKSA-N 0 2 381.388 2.591 10 10 GFCELN