smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100070820 717142401 /nfs/dbraw/zinc/14/24/01/717142401.db2.gz HDEBCDIRXKZYJG-ZBFHGGJFSA-O 0 0 334.908 4.058 40 50 EIGBRN CCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100070823 717142369 /nfs/dbraw/zinc/14/23/69/717142369.db2.gz HDEBCDIRXKZYJG-HOCLYGCPSA-O 0 0 334.908 4.058 40 50 EIGBRN CCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100070813 717142298 /nfs/dbraw/zinc/14/22/98/717142298.db2.gz HDEBCDIRXKZYJG-GDBMZVCRSA-O 0 0 334.908 4.058 40 50 EIGBRN CCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100070816 717142373 /nfs/dbraw/zinc/14/23/73/717142373.db2.gz HDEBCDIRXKZYJG-GOEBONIOSA-O 0 0 334.908 4.058 40 50 EIGBRN