smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc(N=Nc2ccccc2)c1 ZINC000250534246 344835982 /nfs/dbraw/zinc/83/59/82/344835982.db2.gz JJDKCHBQWVTFBN-UHFFFAOYSA-N -1 3 198.225 3.808 40 10 AHCBHM