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(Cn1cnnn1)c1ccc([O-])c(O)c1 ZINC000066166334 182074747 /nfs/dbraw/zinc/07/47/47/182074747.db2.gz UDLWLAUONSQIGN-UHFFFAOYSA-N -1 1 220.188 -0.033 1 10 BBCFMM