smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000096917183 185130235 /nfs/dbraw/zinc/13/02/35/185130235.db2.gz JPUZVQADCCFSOS-QWRGUYRKSA-N 2 1 297.359 -0.934 1 0 CBAFMP COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000096917185 185130349 /nfs/dbraw/zinc/13/03/49/185130349.db2.gz JPUZVQADCCFSOS-WDEREUQCSA-N 2 1 297.359 -0.934 1 0 CBAFMP