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(=O)c2nc3c(nc2[nH]1)[nH]c(=O)[nH]c3=O ZINC000005907538 183009649 /nfs/dbraw/zinc/00/96/49/183009649.db2.gz SVDLRKRVMBVGHQ-UHFFFAOYSA-N -1 3 248.158 -2.512 40 5 BABBHM