smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000216879027 557160885 /nfs/dbraw/zinc/16/08/85/557160885.db2.gz DZBAUBOBOLSBNQ-UHFFFAOYSA-N 2 2 444.985 0.728 40 70 ICIBLP