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[n-]c(C=Cc2cccc(Cl)c2)nc([O-])c1[N+](=O)[O-] ZINC000009234786 170368054 /nfs/dbraw/zinc/36/80/54/170368054.db2.gz RFNIDZBAUPURJR-SNAWJCMRSA-N -2 1 293.666 2.208 40 5 CEBBML