smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408885513 556877966 /nfs/dbraw/zinc/87/79/66/556877966.db2.gz BFVQJFDJHLQPCN-DEDYPNTBSA-N -2 2 448.862 4.291 40 10 IICBLL