smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/C(=N\c2ccccc2)Nc2ccccc2)cc1 ZINC000005930872 170156922 /nfs/dbraw/zinc/15/69/22/170156922.db2.gz TVXNPRYSZPCOMK-UHFFFAOYSA-N 0 1 286.378 5.185 1 30 CKEFMN CC(=Nc1ccc(C)cc1)C1Sc2ccccc2C1=O ZINC000020842937 171276064 /nfs/dbraw/zinc/27/60/64/171276064.db2.gz IMQYOORYIQDZTK-LDADJPATSA-N 0 1 281.380 5.056 1 30 CKEFMN CC1(C)CC(=NCc2ccccc2)Nc2ccc(Cl)cc21 ZINC000096908685 185127595 /nfs/dbraw/zinc/12/75/95/185127595.db2.gz QXBSCGKGCGTVIP-UHFFFAOYSA-N 0 1 298.817 5.032 1 30 CKEFMN