smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000034683487 568733720 /nfs/dbraw/zinc/73/37/20/568733720.db2.gz AKNVXPQFHVUJSU-UHFFFAOYSA-N 1 2 401.894 4.656 10 5 HJBELO