smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCN1CCCC1 ZINC000028229948 207338414 /nfs/dbraw/zinc/33/84/14/207338414.db2.gz AWQVHRBKOZDBCO-UHFFFAOYSA-N 0 3 384.348 2.348 1 5 GEBFHN CN(C)CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cccnc1-2 ZINC000072123324 211072106 /nfs/dbraw/zinc/07/21/06/211072106.db2.gz YUWWQNSJNFKKON-UHFFFAOYSA-N 0 3 378.388 2.468 1 5 GEBFHN COc1cc2c3cnc4cc5c(cc4c3n(CCN)c(=O)c2cc1OC)OCO5 ZINC000006718459 518141652 /nfs/dbraw/zinc/14/16/52/518141652.db2.gz QOVVSZDKEQNEBI-UHFFFAOYSA-N 0 3 393.399 2.408 1 5 GEBFHN O=C1C[C@H]2OCC=C3CN4CC[C@]56c7cc([N+](=O)[O-])ccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 ZINC000013153769 221262656 /nfs/dbraw/zinc/26/26/56/221262656.db2.gz PUIXISQSCVEHKU-KRCNFQFXSA-N 0 3 379.416 2.001 1 5 GEBFHN