smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1ccc(-c2ccc(C#Cc3ccc(C(N)=[NH2+])cc3)o2)o1 ZINC000066165823 184394423 /nfs/dbraw/zinc/39/44/23/184394423.db2.gz UAFDMZMHHNJJMD-UHFFFAOYSA-N 2 1 318.336 2.508 1 30 DFEFMP