smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=C([O-])c1ccc(Cl)cc1 ZINC000100404960 559134907 /nfs/dbraw/zinc/13/49/07/559134907.db2.gz RFWZWFKCFGNQBD-YPKPFQOOSA-N -1 2 421.634 3.655 2 0 HHAFLM O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1 ZINC000013824702 581099733 /nfs/dbraw/zinc/09/97/33/581099733.db2.gz PEXIVRSEMGWJFU-KGLIPLIRSA-N -1 2 419.301 3.722 1 0 HHAFLM O=C([O-])C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1 ZINC000026745875 581099808 /nfs/dbraw/zinc/09/98/08/581099808.db2.gz PEXIVRSEMGWJFU-ZIAGYGMSSA-N -1 2 419.301 3.722 1 0 HHAFLM O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=C([O-])c1ccc(Cl)cc1 ZINC000100404957 559134867 /nfs/dbraw/zinc/13/48/67/559134867.db2.gz RFWZWFKCFGNQBD-BUHFOSPRSA-N -1 2 421.634 3.655 2 0 HHAFLM