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)C1=C[C@H](N)[C@@H](NC(C)=O)[C@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 ZINC000077320125 556999009 /nfs/dbraw/zinc/99/90/09/556999009.db2.gz LWRWOGLOMFAFCK-BYHHXJKWSA-N 0 3 430.410 -1.299 10 0 in-vitro IAAEHN