smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C[C@](C)(O)C4)C[C@@H](O[C@H]2CC[C@H](O)[C@H](C)O2)[C@@H]1O ZINC000004654733 560199039 /nfs/dbraw/zinc/19/90/39/560199039.db2.gz UHODELBZXFLXFX-UXUTXJLASA-N 0 1 566.603 2.529 10 10 in-vitro KFCEMN CCOC(=O)C(C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000104658287 571384537 /nfs/dbraw/zinc/38/45/37/571384537.db2.gz FZYXWCJURFRYOQ-NRFANRHFSA-N 0 1 567.510 2.752 10 10 KFCEMN CCOC(=O)C(C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000104658292 571384578 /nfs/dbraw/zinc/38/45/78/571384578.db2.gz FZYXWCJURFRYOQ-OAQYLSRUSA-N 0 1 567.510 2.752 10 10 KFCEMN