smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc[nH+]c2c1ccc1ccccc12 39119818 169300349 /nfs/dbraw/zinc/30/03/49/169300349.db2.gz IMOBMABNUPLHTM-UHFFFAOYSA-N 1 1 194.237 2.970 10 5 AFBEMO