smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(O[C@@H]2C[NH2+][C@H](C(=O)N3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000072179779 205317230 /nfs/dbraw/zinc/31/72/30/205317230.db2.gz DZMJATAIFBTELK-SFTDATJTSA-N 2 1 382.508 2.144 1 30 GEEFMP