smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000033396900 520849783 /nfs/dbraw/zinc/84/97/83/520849783.db2.gz RBIYRYBRJICDNU-ZSOIEALJSA-N 0 2 449.688 5.008 10 10 IKCELN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)c1 ZINC000033316940 521381939 /nfs/dbraw/zinc/38/19/39/521381939.db2.gz LFOMLPLJXLKJGX-ZHZULCJRSA-N 0 2 435.867 5.036 10 10 IKCELN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 ZINC000002209906 132248898 /nfs/dbraw/zinc/24/88/98/132248898.db2.gz CBXHVXCYMKUYLC-HYARGMPZSA-N 0 2 431.467 5.302 10 10 IKCELN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1O ZINC000020458017 526945021 /nfs/dbraw/zinc/94/50/21/526945021.db2.gz DVPOZLGNMSDJRM-SDQBBNPISA-N 0 2 427.696 5.024 10 10 IKCELN