smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000252448684 562881731 /nfs/dbraw/zinc/88/17/31/562881731.db2.gz ZOCKGBMQLCSHFP-CGPUOESMSA-N 0 2 723.650 2.462 10 10 KECELN CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000252448685 562881736 /nfs/dbraw/zinc/88/17/36/562881736.db2.gz ZOCKGBMQLCSHFP-GDFKYWENSA-N 0 2 723.650 2.462 10 10 KECELN