smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)OC(C)(C)C ZINC000088314760 569359043 /nfs/dbraw/zinc/35/90/43/569359043.db2.gz RAVLOADXRPYFMO-CJNGLKHVSA-N 0 0 408.426 2.829 30 0 HFACRN