smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2nnc(Cn3ccnc3)[nH]2)c1 ZINC000218199936 569882998 /nfs/dbraw/zinc/88/29/98/569882998.db2.gz GSCJXMKUTZTMHK-GOSISDBHSA-N 0 1 474.477 2.974 50 70 JFIAMN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1 ZINC000217625325 569880680 /nfs/dbraw/zinc/88/06/80/569880680.db2.gz YJHVKYRCCLZRJC-FQEVSTJZSA-N 0 1 471.521 2.931 50 70 biogenic JFIAMN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(CCCc2c[nH]c3ccccc23)n[nH]1 ZINC000217625325 569880681 /nfs/dbraw/zinc/88/06/81/569880681.db2.gz YJHVKYRCCLZRJC-FQEVSTJZSA-N 0 1 471.521 2.931 50 70 biogenic JFIAMN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nnc(Cn3ccnc3)[nH]2)c1 ZINC000218200012 569883013 /nfs/dbraw/zinc/88/30/13/569883013.db2.gz GSCJXMKUTZTMHK-SFHVURJKSA-N 0 1 474.477 2.974 50 70 JFIAMN