smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1c(O)cc([N+](=O)[O-])cc1F 687807040 571903620 /nfs/dbraw/zinc/90/36/20/571903620.db2.gz JTHHKOLGPUQCSD-UHFFFAOYSA-N 0 2 185.110 1.252 10 5 ADBELN O=[N+]([O-])Cc1ccco1 117914243 573374976 /nfs/dbraw/zinc/37/49/76/573374976.db2.gz CNQUWRZLNHSLCI-UHFFFAOYSA-N 0 2 127.099 1.056 10 5 ADBELN CC(c1ccncc1)[N+](=O)[O-] 238383109 573418886 /nfs/dbraw/zinc/41/88/86/573418886.db2.gz DGKBEXZZKREYOC-ZCFIWIBFSA-N 0 2 152.153 1.419 10 5 ADBELN C[C@H](c1ccncc1)[N+](=O)[O-] 238383109 573418894 /nfs/dbraw/zinc/41/88/94/573418894.db2.gz DGKBEXZZKREYOC-ZCFIWIBFSA-N 0 2 152.153 1.419 10 5 ADBELN CC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])[nH]1 687761674 571961593 /nfs/dbraw/zinc/96/15/93/571961593.db2.gz BXHLXSCCDVRTPQ-UHFFFAOYSA-N 0 2 199.122 1.034 10 5 ADBELN O=[N+]([O-])CSc1ccccc1O 146112813 573713515 /nfs/dbraw/zinc/71/35/15/573713515.db2.gz 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