smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(O)n2c(O)cc(=O)n12 1613401 342952210 /nfs/dbraw/zinc/95/22/10/342952210.db2.gz GZNCIJMYYSBWIX-UHFFFAOYSA-N 0 2 168.108 -1.581 40 10 AACBLN