smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1NC(=O)C1([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CCC(C)CC1 ZINC000217424522 568472101 /nfs/dbraw/zinc/47/21/01/568472101.db2.gz XYVZPNJLEQNOIM-IRDJYZNJSA-N 0 1 419.569 4.163 40 70 HIIBMN