smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=CC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)C[N+](C)(C)C ZINC000005503124 717100332 /nfs/dbraw/zinc/10/03/32/717100332.db2.gz JRDQNDZOLXGERY-GRSHGNNSSA-O 1 0 360.265 2.520 40 50 FFGBRO CC(=CC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)C[N+](C)(C)C ZINC000016957803 717112359 /nfs/dbraw/zinc/11/23/59/717112359.db2.gz JRDQNDZOLXGERY-VXLYETTFSA-O 1 0 360.265 2.520 40 50 FFGBRO