smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072116502 216012917 /nfs/dbraw/zinc/01/29/17/216012917.db2.gz FZCVQJGVLKLMOT-IHRRRGAJSA-N 3 0 339.396 -0.472 1 5 EBBFRP