smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000771892361 1073687829 /nfs/dbraw/zinc/68/78/29/1073687829.db2.gz QHINFPFFMFOUGJ-UHFFFAOYSA-N -2 0 432.361 -0.547 20 30 IBEDRL Cc1[n-]n2c(nc3ccccc3c2=O)c1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000771893316 1073687604 /nfs/dbraw/zinc/68/76/04/1073687604.db2.gz YZBUENRVJQPDLH-UHFFFAOYSA-N -2 0 443.445 -0.806 20 30 IBEDRL COc1cc(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OCCC(=O)[O-] ZINC000783856467 1072992021 /nfs/dbraw/zinc/99/20/21/1072992021.db2.gz CZAVFPLLANYLKD-UHFFFAOYSA-N -2 0 440.434 -0.742 20 30 IBEDRL CC(CCc1ccc(OCC(=O)[O-])cc1)=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000814883729 1074018115 /nfs/dbraw/zinc/01/81/15/1074018115.db2.gz YIPVSIHXIOTXET-UHFFFAOYSA-N -2 0 438.462 -0.166 20 30 IBEDRL C=C[C@@H]1C[C@]1(Nc1ccc(S(=O)(=O)[N-]C(C)=O)cn1)C(=O)[N-]S(=O)(=O)C1CC1 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