smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@](C(=O)O[C@H]1C[N+]2(CCCC#N)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1 ZINC000073160020 717133881 /nfs/dbraw/zinc/13/38/81/717133881.db2.gz FNBHAPOWAKDVPI-CYLKOEIPSA-N 2 2 410.582 3.844 1 30 HHEFLP