smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217490851 211749425 /nfs/dbraw/zinc/74/94/25/211749425.db2.gz OFPLEXCBYQQIHJ-GOSISDBHSA-N 0 1 389.455 4.215 50 70 GIIAMN CC(C)c1n[nH]c(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)n1 ZINC000218249469 570328672 /nfs/dbraw/zinc/32/86/72/570328672.db2.gz VHJNFGZVQASCER-UHFFFAOYSA-N 0 1 378.461 4.095 50 70 GIIAMN CC(C)c1nc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)n[nH]1 ZINC000218249469 570328675 /nfs/dbraw/zinc/32/86/75/570328675.db2.gz VHJNFGZVQASCER-UHFFFAOYSA-N 0 1 378.461 4.095 50 70 GIIAMN CC(C)Cc1nc2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2[nH]1 ZINC000218241621 570328620 /nfs/dbraw/zinc/32/86/20/570328620.db2.gz KWNCHZAABBVJAP-UHFFFAOYSA-N 0 1 380.492 4.097 50 70 GIIAMN