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(Nc2nc(N)c([N+](=O)[O-])c[nH+]2)CC1 ZINC000070644117 372766131 /nfs/dbraw/zinc/76/61/31/372766131.db2.gz OULKCWSFLLVJSQ-UHFFFAOYSA-N 2 2 253.266 -0.459 50 5 CBBALP