smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1C(=O)Nc1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1 ZINC000003013729 568838362 /nfs/dbraw/zinc/83/83/62/568838362.db2.gz YAYZNACFNFXNON-UHFFFAOYSA-N 0 2 411.845 5.127 10 10 HKCELN CC(C)=CCc1cc(-c2cc(O)c3c(=O)cc(O)c(CC=C(C)C)c-3o2)cc(O)c1O ZINC000014727566 291287144 /nfs/dbraw/zinc/28/71/44/291287144.db2.gz QLZMBCVLWOJASJ-UHFFFAOYSA-N 0 2 422.477 5.300 10 10 HKCELN CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(O)c1O ZINC000014727566 291287147 /nfs/dbraw/zinc/28/71/47/291287147.db2.gz QLZMBCVLWOJASJ-UHFFFAOYSA-N 0 2 422.477 5.300 10 10 HKCELN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000033379006 132789562 /nfs/dbraw/zinc/78/95/62/132789562.db2.gz VTSRVEFOMDGZOE-JCMHNJIXSA-N 0 2 412.445 5.602 10 10 HKCELN