smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNC(=O)CCC[N+](C)(C)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000059100174 717131109 /nfs/dbraw/zinc/13/11/09/717131109.db2.gz MEOODVXKMCTAOP-BGIGGGFGSA-O 1 0 422.510 -0.590 1 5 HBBFRO