smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1nc2c(o1)C[NH2+]C2 238298278 344799466 /nfs/dbraw/zinc/79/94/66/344799466.db2.gz AKIRFRIMCOPEQA-UHFFFAOYSA-N 1 2 182.179 0.455 30 0 ACACLO