smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000217559343 568472781 /nfs/dbraw/zinc/47/27/81/568472781.db2.gz DFVUKPFFMHXSSI-DLBZAZTESA-N 2 1 410.518 1.468 40 70 HDIBMP