smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@H](C)N[C@@H]2CCOc3c(Cl)cccc32)cnn1-c1ccccn1 ZINC000161273880 567895183 /nfs/dbraw/zinc/89/51/83/567895183.db2.gz WKQILZZWZFPYRX-SCLBCKFNSA-N 0 1 368.868 4.404 10 70 FIIEMN Cc1c([C@@H](C)N[C@H]2CCOc3c(Cl)cccc32)cnn1-c1ccccn1 ZINC000161273998 567895297 /nfs/dbraw/zinc/89/52/97/567895297.db2.gz WKQILZZWZFPYRX-ACJLOTCBSA-N 0 1 368.868 4.404 10 70 FIIEMN Cc1c([C@H](C)N[C@H]2CCOc3c(Cl)cccc32)cnn1-c1ccccn1 ZINC000161274123 567895368 /nfs/dbraw/zinc/89/53/68/567895368.db2.gz WKQILZZWZFPYRX-UGSOOPFHSA-N 0 1 368.868 4.404 10 70 FIIEMN Cc1c([C@@H](C)N[C@@H]2CCOc3c(Cl)cccc32)cnn1-c1ccccn1 ZINC000161273745 567895218 /nfs/dbraw/zinc/89/52/18/567895218.db2.gz WKQILZZWZFPYRX-FZKQIMNGSA-N 0 1 368.868 4.404 10 70 FIIEMN