smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])c([O-])c(N2CCCN(c3cc(C)cc([N+](=O)[O-])c3[O-])C2=O)c1 ZINC000008951865 569356969 /nfs/dbraw/zinc/35/69/69/569356969.db2.gz IHVCQZKLYZFVDV-UHFFFAOYSA-N -2 0 402.363 3.368 10 5 HGBERL