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+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225238870 569375819 /nfs/dbraw/zinc/37/58/19/569375819.db2.gz QUHVMOBCUMXERC-UHFFFAOYSA-N 2 2 416.485 3.744 40 5 HHBBLP