smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1-c1nc2ccccc2o1 ZINC000000712054 570219297 /nfs/dbraw/zinc/21/92/97/570219297.db2.gz IZYDLQVCFGHTAI-AUEPDCJTSA-N -1 2 399.233 5.963 50 30 GKEALM [O-]c1c(Cl)cc(Cl)cc1/C=N/N=C/c1cc(Cl)cc(Cl)c1O ZINC000002134992 570275471 /nfs/dbraw/zinc/27/54/71/570275471.db2.gz CZDCLRFZSLNIGE-OGBZJDJUSA-N -1 2 378.042 5.164 50 30 GKEALM [O-]c1c(Cl)cc(Cl)cc1C=NN=Cc1cc(Cl)cc(Cl)c1O ZINC000252460267 570960081 /nfs/dbraw/zinc/96/00/81/570960081.db2.gz CZDCLRFZSLNIGE-UHFFFAOYSA-N -1 2 378.042 5.164 50 30 GKEALM