smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH+]2C)C1 ZINC000043328196 175009950 /nfs/dbraw/zinc/00/99/50/175009950.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 2 1 280.500 4.153 1 30 CIEFMP CCCCCCCC[NH+]1CCC[C@@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000043328196 175009951 /nfs/dbraw/zinc/00/99/51/175009951.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 2 1 280.500 4.153 1 30 CIEFMP CCCCCCCC[NH+]1CCC[C@@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000043328196 175009953 /nfs/dbraw/zinc/00/99/53/175009953.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 2 1 280.500 4.153 1 30 CIEFMP CCCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH+]2C)C1 ZINC000043328195 175010101 /nfs/dbraw/zinc/01/01/01/175010101.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 2 1 280.500 4.153 1 30 CIEFMP CCCCCCCC[NH+]1CCC[C@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000043328195 175010103 /nfs/dbraw/zinc/01/01/03/175010103.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 2 1 280.500 4.153 1 30 CIEFMP CCCCCCCC[NH+]1CCC[C@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000043328195 175010105 /nfs/dbraw/zinc/01/01/05/175010105.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 2 1 280.500 4.153 1 30 CIEFMP