smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225237474 464154399 /nfs/dbraw/zinc/15/43/99/464154399.db2.gz ZUQJMDZGHHZHNV-UHFFFAOYSA-N 2 2 340.387 2.154 40 5 EEBBLP