smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(O)c1 ZINC000100345518 208377388 /nfs/dbraw/zinc/37/73/88/208377388.db2.gz PNRJHXQNMQTJEC-CCWVLBSLSA-N -2 0 391.456 4.699 50 10 GJCARL Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1O ZINC000100354154 208376946 /nfs/dbraw/zinc/37/69/46/208376946.db2.gz MMXLXKHLGDUTHT-CCWVLBSLSA-N -2 0 391.456 4.699 50 10 GJCARL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000008742368 221054266 /nfs/dbraw/zinc/05/42/66/221054266.db2.gz LKUKBMXNOKYYCJ-WUXMJOGZSA-N -2 0 391.210 4.514 50 10 GJCARL