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-])CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000020373636 171169708 /nfs/dbraw/zinc/16/97/08/171169708.db2.gz MWUGWFDFSMGTHG-UHFFFAOYSA-N -2 3 260.227 0.421 10 5 CCBEHL C[C@@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC000695454546 976797613 /nfs/dbraw/zinc/79/76/13/976797613.db2.gz WDXVRKBIAOGOHC-LURJTMIESA-N -2 3 255.230 0.852 10 5 CCBEHL CO[C@]1(C(=O)[O-])CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000703756523 977188313 /nfs/dbraw/zinc/18/83/13/977188313.db2.gz BEUKZGRERAWMEZ-LLVKDONJSA-N -2 3 283.240 0.375 10 5 CCBEHL O=C([O-])CC[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000021012194 171287779 /nfs/dbraw/zinc/28/77/79/171287779.db2.gz IXDNZPJVTXQCFU-UHFFFAOYSA-N -2 3 292.244 0.487 10 5 CCBEHL C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000695454215 976797715 /nfs/dbraw/zinc/79/77/15/976797715.db2.gz 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COc1ccc([N-]S(=O)(=O)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000035565136 172264560 /nfs/dbraw/zinc/26/45/60/172264560.db2.gz WPZJJAGHKIREHR-UHFFFAOYSA-N -2 3 290.253 0.430 10 5 CCBEHL