smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2[nH]c(Sc3cc(Cl)c4nsnc4c3[N+](=O)[O-])nc21 ZINC000016383056 221361680 /nfs/dbraw/zinc/36/16/80/221361680.db2.gz KMFHMNOBURKQNJ-UHFFFAOYSA-N 0 2 380.802 2.653 10 5 GFBELN COc1ccc(OC)c(-n2c3cc(Cl)ccc3cc3c(=O)[nH]c(=O)nc2-3)c1 ZINC000041076622 212040531 /nfs/dbraw/zinc/04/05/31/212040531.db2.gz ULHFJBICSADKMV-UHFFFAOYSA-N 0 2 383.791 2.849 10 5 GFBELN