smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@@H](C)N[C@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000089213523 332064881 /nfs/dbraw/zinc/06/48/81/332064881.db2.gz AVXMDMCRHBJTAO-GHMZBOCLSA-N 0 1 324.833 5.030 10 5 DKBEMN Cc1c([C@H](C)N[C@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000089213524 332064713 /nfs/dbraw/zinc/06/47/13/332064713.db2.gz AVXMDMCRHBJTAO-WDEREUQCSA-N 0 1 324.833 5.030 10 5 DKBEMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000089216404 332064826 /nfs/dbraw/zinc/06/48/26/332064826.db2.gz AVXMDMCRHBJTAO-MNOVXSKESA-N 0 1 324.833 5.030 10 5 DKBEMN Cc1c([C@H](C)N[C@@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000089216407 332064786 /nfs/dbraw/zinc/06/47/86/332064786.db2.gz AVXMDMCRHBJTAO-QWRGUYRKSA-N 0 1 324.833 5.030 10 5 DKBEMN CC[C@H](N[C@H](C)c1csc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000191329088 340552912 /nfs/dbraw/zinc/55/29/12/340552912.db2.gz CSAFNKWYECNZKN-YGRLFVJLSA-N 0 1 324.833 5.112 10 5 DKBEMN