smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)OC[C@H](O)CN[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160462 569102826 /nfs/dbraw/zinc/10/28/26/569102826.db2.gz JHEQIGYNYLZIMP-NVXWUHKLSA-N 0 1 406.439 2.636 10 5 HFBEMN CCCC(=O)OC[C@H](O)CN[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160472 569102832 /nfs/dbraw/zinc/10/28/32/569102832.db2.gz JHEQIGYNYLZIMP-WBVHZDCISA-N 0 1 406.439 2.636 10 5 HFBEMN CCCC(=O)OC[C@@H](O)CN[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160468 569102945 /nfs/dbraw/zinc/10/29/45/569102945.db2.gz JHEQIGYNYLZIMP-DOTOQJQBSA-N 0 1 406.439 2.636 10 5 HFBEMN CCCC(=O)OC[C@@H](O)CN[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160476 569102816 /nfs/dbraw/zinc/10/28/16/569102816.db2.gz JHEQIGYNYLZIMP-RDJZCZTQSA-N 0 1 406.439 2.636 10 5 HFBEMN