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]2CCCN2C)C1 ZINC000043328196 175009954 /nfs/dbraw/zinc/00/99/54/175009954.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 1 3 280.500 4.153 1 30 CIEFHO CCCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN2C)C1 ZINC000043328196 175009955 /nfs/dbraw/zinc/00/99/55/175009955.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 1 3 280.500 4.153 1 30 CIEFHO CCCCCCCCN1CCC[C@@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000043328196 175009957 /nfs/dbraw/zinc/00/99/57/175009957.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 1 3 280.500 4.153 1 30 CIEFHO CCCCCCCCN1CCC[C@@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000043328196 175009958 /nfs/dbraw/zinc/00/99/58/175009958.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 1 3 280.500 4.153 1 30 CIEFHO CCCCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C)C1 ZINC000043328195 175010107 /nfs/dbraw/zinc/01/01/07/175010107.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 1 3 280.500 4.153 1 30 CIEFHO CCCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCCN2C)C1 ZINC000043328195 175010109 /nfs/dbraw/zinc/01/01/09/175010109.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 1 3 280.500 4.153 1 30 CIEFHO CCCCCCCCN1CCC[C@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000043328195 175010110 /nfs/dbraw/zinc/01/01/10/175010110.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 1 3 280.500 4.153 1 30 CIEFHO CCCCCCCCN1CCC[C@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000043328195 175010112 /nfs/dbraw/zinc/01/01/12/175010112.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 1 3 280.500 4.153 1 30 CIEFHO