smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc(NN)nc1-c1ccc(O)c(O)c1 ZINC000004290830 360464272 /nfs/dbraw/zinc/46/42/72/360464272.db2.gz AVQNPDXTQNUWMO-UHFFFAOYSA-N 0 1 237.284 1.815 30 10 BDCCMN