smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](C)CC3)n2)CC1 ZINC000005119829 277113793 /nfs/dbraw/zinc/11/37/93/277113793.db2.gz UEKWTTNJIUMXEB-UHFFFAOYSA-N 2 2 336.400 -0.529 50 5 EBBALP