smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#[N+]CC(=O)CCN(CCC(=O)C[N+]#N)[N+](=O)[O-] ZINC000004771311 170014662 /nfs/dbraw/zinc/01/46/62/170014662.db2.gz LQNBLFFEQROTRQ-UHFFFAOYSA-N 2 2 254.206 -1.000 40 10 CACBLP