smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)CCN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000132087002 685758347 /nfs/dbraw/zinc/75/83/47/685758347.db2.gz BRJGXOVTUZKOII-UHFFFAOYSA-N 1 2 332.386 -1.303 10 5 EABELO