smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C/c1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000073258428 717134133 /nfs/dbraw/zinc/13/41/33/717134133.db2.gz JHKCCXVYTQLEKJ-FSJBWODESA-O 1 0 497.444 3.495 40 50 JGGBRO C[N+](C)(C)CC(=O)N/N=C\c1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000104295497 717147312 /nfs/dbraw/zinc/14/73/12/717147312.db2.gz JHKCCXVYTQLEKJ-FMCGGJTJSA-O 1 0 497.444 3.495 40 50 JGGBRO