smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1=CC(Cl)C(=O)NC1=O 75578860 171113529 /nfs/dbraw/zinc/11/35/29/171113529.db2.gz AMYFOJLIWDFAFA-UHFFFAOYSA-N 0 2 188.570 0.245 20 10 ACCDLN CN(CC(=O)[O-])c1ccc([NH3+])cc1 51040270 343288078 /nfs/dbraw/zinc/28/80/78/343288078.db2.gz BBHZXMXCSXNSCJ-UHFFFAOYSA-N 0 2 180.207 0.790 20 10 ACCDLN