smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)nc([O-])c1[N+](=O)[O-] ZINC000016361421 570332437 /nfs/dbraw/zinc/33/24/37/570332437.db2.gz QLDIQSYEQLMWCZ-UTCJRWHESA-N -2 1 394.170 4.121 50 5 GIBAML O=c1[n-]c(C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)nc([O-])c1[N+](=O)[O-] ZINC000013479992 570421256 /nfs/dbraw/zinc/42/12/56/570421256.db2.gz MTXDQJHPJVJBAT-ALCCZGGFSA-N -2 1 394.170 4.121 50 5 GIBAML O=c1[n-]c(C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)nc([O-])c1[N+](=O)[O-] ZINC000009234942 221074752 /nfs/dbraw/zinc/07/47/52/221074752.db2.gz MTXDQJHPJVJBAT-FNORWQNLSA-N -2 1 394.170 4.121 50 5 GIBAML