smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cnc2cc(=O)[n-]n21 ZINC000218676930 241337425 /nfs/dbraw/zinc/33/74/25/241337425.db2.gz BBQOXHJFPFZZKY-MNOVXSKESA-N -1 1 349.347 -1.280 50 70 EAIAMM