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)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC000160343603 490107912 /nfs/dbraw/zinc/10/79/12/490107912.db2.gz TZSZNWUCKKCCJK-ZCFIWIBFSA-N -1 1 226.236 -0.124 20 70 BBIDMM CCOC(=O)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC000160343741 170233150 /nfs/dbraw/zinc/23/31/50/170233150.db2.gz TZSZNWUCKKCCJK-LURJTMIESA-N -1 1 226.236 -0.124 20 70 BBIDMM