smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](C2CCCCC2)CC(=O)O4)cc1O ZINC000217736728 569452408 /nfs/dbraw/zinc/45/24/08/569452408.db2.gz RHAAQTMJLWIPIA-HNNXBMFYSA-N -1 1 436.460 4.853 50 70 biogenic IJIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](C2CCCCC2)CC(=O)O4)cc1O ZINC000217736728 569452409 /nfs/dbraw/zinc/45/24/09/569452409.db2.gz RHAAQTMJLWIPIA-HNNXBMFYSA-N -1 1 436.460 4.853 50 70 biogenic IJIAMM COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](C2CCCCC2)CC(=O)O4)cc1O ZINC000217736637 569452393 /nfs/dbraw/zinc/45/23/93/569452393.db2.gz RHAAQTMJLWIPIA-OAHLLOKOSA-N -1 1 436.460 4.853 50 70 biogenic IJIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](C2CCCCC2)CC(=O)O4)cc1O ZINC000217736637 569452394 /nfs/dbraw/zinc/45/23/94/569452394.db2.gz RHAAQTMJLWIPIA-OAHLLOKOSA-N -1 1 436.460 4.853 50 70 biogenic IJIAMM