smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](N)(CC)CC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000002010139 717092985 /nfs/dbraw/zinc/09/29/85/717092985.db2.gz NTXVVIULFCCVSZ-NTUHNPAUSA-O 1 1 284.296 0.368 10 50 CCGEMO N[N+]1(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)CCCCC1 ZINC000003604001 717095201 /nfs/dbraw/zinc/09/52/01/717095201.db2.gz BFNUPFVWEJHJSJ-RIYZIHGNSA-O 1 1 296.307 0.512 10 50 CCGEMO