smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2csc(N)n2)o1 ZINC000004245226 563828119 /nfs/dbraw/zinc/82/81/19/563828119.db2.gz SFSJQMNAXUTBCI-UHFFFAOYSA-N 0 0 301.327 3.869 30 5 DHBCRN Cc1ccc(-c2ccc(-c3csc(N)n3)o2)c([N+](=O)[O-])c1 ZINC000004245225 563828544 /nfs/dbraw/zinc/82/85/44/563828544.db2.gz IJNVFVZSLHHWNS-UHFFFAOYSA-N 0 0 301.327 3.869 30 5 DHBCRN