smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1c[nH+]c2ccc(Cl)cc2c1Nc1cccc([N+](=O)[O-])c1 ZINC000004226239 210147453 /nfs/dbraw/zinc/14/74/53/210147453.db2.gz GHEDXLWPBNFLAJ-UHFFFAOYSA-N 0 2 343.726 4.238 10 5 EIBELN CC(C)c1ccc(Oc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040611066 213358323 /nfs/dbraw/zinc/35/83/23/213358323.db2.gz BXYHBHHYEVTGSD-UHFFFAOYSA-N 0 2 345.403 4.016 10 5 EIBELN