smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013263434 205094350 /nfs/dbraw/zinc/09/43/50/205094350.db2.gz BLHCFUBFSXRLRU-UHFFFAOYSA-N -1 2 356.743 2.747 40 5 FFBBLM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000047318023 507307499 /nfs/dbraw/zinc/30/74/99/507307499.db2.gz VLLFHTJRDUWIOV-UHFFFAOYSA-N -1 2 356.743 2.747 40 5 FFBBLM Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000223370824 509338392 /nfs/dbraw/zinc/33/83/92/509338392.db2.gz VCJYNJWCZDVWKG-UHFFFAOYSA-N -1 2 354.315 2.541 40 5 FFBBLM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000057178023 210070638 /nfs/dbraw/zinc/07/06/38/210070638.db2.gz HAYVKGKTOHCSAS-UHFFFAOYSA-N -1 2 356.743 2.747 40 5 FFBBLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cccc1[N+](=O)[O-] ZINC000223370067 509337936 /nfs/dbraw/zinc/33/79/36/509337936.db2.gz NZYKTTXHKOAGFX-UHFFFAOYSA-N -1 2 354.315 2.541 40 5 FFBBLM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000223369977 509336999 /nfs/dbraw/zinc/33/69/99/509336999.db2.gz XRWQJUMYKCHROL-UHFFFAOYSA-N -1 2 354.315 2.541 40 5 FFBBLM O=c1[nH]c(C=Cc2cccn2-c2cccc([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-] ZINC000409330797 263548995 /nfs/dbraw/zinc/54/89/95/263548995.db2.gz MVHWDQAKCCZROK-VOTSOKGWSA-N -1 2 369.293 2.665 40 5 FFBBLM