smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](OCc2ccccc2)[C@H](C)O1 ZINC000072267022 562733035 /nfs/dbraw/zinc/73/30/35/562733035.db2.gz FIGNGSHKNAHTSH-JJMFXPFOSA-N 0 3 633.650 2.226 10 10 investigational KECEHN O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O)NCc1ccccc1F ZINC000100035190 554187923 /nfs/dbraw/zinc/18/79/23/554187923.db2.gz NVVOSZDJNRLSTK-RQPZTNHCSA-N 0 3 535.664 2.445 10 10 KECEHN