smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nn[nH]n1 ZINC000013745409 581101722 /nfs/dbraw/zinc/10/17/22/581101722.db2.gz ZVTNFDJNGBTYNG-UHFFFAOYSA-N 0 2 303.194 0.525 1 5 DCBFLN