smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000059136069 195391122 /nfs/dbraw/zinc/39/11/22/195391122.db2.gz CTXZKEKCKSFOIX-FMIVXFBMSA-N 0 1 496.301 4.501 40 10 JJCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Cl)c1O ZINC000059139134 195392462 /nfs/dbraw/zinc/39/24/62/195392462.db2.gz SNRQADIFUCKBOG-RMKNXTFCSA-N 0 1 485.718 4.627 40 10 JJCBMN COc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000002335721 554153804 /nfs/dbraw/zinc/15/38/04/554153804.db2.gz UARFNWNBJQDIFW-HZHRSRAPSA-N 0 1 485.496 4.824 40 10 JJCBMN COc1ccccc1OCCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000006298659 554529130 /nfs/dbraw/zinc/52/91/30/554529130.db2.gz DHRVRCUAVJXZBR-OQKWZONESA-N 0 1 487.556 4.523 40 10 JJCBMN CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000020215752 555711792 /nfs/dbraw/zinc/71/17/92/555711792.db2.gz BATZUIWWIOCEKR-NTEUORMPSA-N 0 1 464.772 4.840 40 10 JJCBMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc32)C1 ZINC000011867626 555844870 /nfs/dbraw/zinc/84/48/70/555844870.db2.gz FFGRSZWHMCBZIX-FUHWJXTLSA-N 0 1 497.576 4.556 40 10 JJCBMN CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccccc2)c1O ZINC000026787036 556263779 /nfs/dbraw/zinc/26/37/79/556263779.db2.gz UMFPCGHRLACHKB-UHFFFAOYSA-N 0 1 465.980 4.803 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059595901 569607039 /nfs/dbraw/zinc/60/70/39/569607039.db2.gz GRHKMRPBQXLUDO-FYJGNVAPSA-N 0 1 489.597 4.559 40 10 JJCBMN CCOC(=O)c1cccc(N2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 ZINC000059639140 569607154 /nfs/dbraw/zinc/60/71/54/569607154.db2.gz CWRQVAUQSRILPU-IWIPYMOSSA-N 0 1 499.954 4.981 40 10 JJCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 ZINC000033528237 569627369 /nfs/dbraw/zinc/62/73/69/569627369.db2.gz VZCKHACPVHHGFV-NDENLUEZSA-N 0 1 452.869 4.528 40 10 JJCBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 ZINC000033528238 569627452 /nfs/dbraw/zinc/62/74/52/569627452.db2.gz VZCKHACPVHHGFV-UDWIEESQSA-N 0 1 452.869 4.528 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000033720473 569631891 /nfs/dbraw/zinc/63/18/91/569631891.db2.gz IDTDYKCQQCMDDX-KQWNVCNZSA-N 0 1 472.516 4.993 40 10 JJCBMN CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102748729 569820532 /nfs/dbraw/zinc/82/05/32/569820532.db2.gz SRPBONRGTZUWMR-UODIDJSMSA-N 0 1 455.558 4.892 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000041074163 569834917 /nfs/dbraw/zinc/83/49/17/569834917.db2.gz HZTNQYVJJVMCRZ-PXLXIMEGSA-N 0 1 485.341 4.763 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12 ZINC000041074169 569834950 /nfs/dbraw/zinc/83/49/50/569834950.db2.gz QWRUTYIIFCCAHA-CAPFRKAQSA-N 0 1 469.570 4.967 40 10 JJCBMN Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)n1 ZINC000104090898 569840840 /nfs/dbraw/zinc/84/08/40/569840840.db2.gz NEKGPXIAACPVOJ-OAZKENCHSA-N 0 1 488.537 4.976 40 10 JJCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000108223910 569859082 /nfs/dbraw/zinc/85/90/82/569859082.db2.gz UIHOHQDQYNZHJI-WQRHYEAKSA-N 0 1 497.320 4.637 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C(=O)NC2=S)c1 ZINC000108933052 569859948 /nfs/dbraw/zinc/85/99/48/569859948.db2.gz FVWGFOCOUNWOGO-YFEUJDIGSA-N 0 1 488.993 4.756 40 10 JJCBMN Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 ZINC000108980658 569860163 /nfs/dbraw/zinc/86/01/63/569860163.db2.gz NXIMWXHUNGLWHD-UDWIEESQSA-N 0 1 495.329 4.592 40 10 JJCBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21 ZINC000208469651 569875560 /nfs/dbraw/zinc/87/55/60/569875560.db2.gz IRXQEASQTRCNOE-MHWRWJLKSA-N 0 1 469.969 4.942 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1 ZINC000223489471 569913196 /nfs/dbraw/zinc/91/31/96/569913196.db2.gz KWWOCJNMLSONPE-HYARGMPZSA-N 0 1 475.614 4.937 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408692444 570015418 /nfs/dbraw/zinc/01/54/18/570015418.db2.gz MQUVHTCFFRURFI-HZHRSRAPSA-N 0 1 470.525 4.832 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3Cl)C(=O)NC2=S)c1 ZINC000408741330 570032295 /nfs/dbraw/zinc/03/22/95/570032295.db2.gz LGCZMBZWUHRWQF-AUWJEWJLSA-N 0 1 455.750 4.877 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c1 ZINC000408741662 570032452 /nfs/dbraw/zinc/03/24/52/570032452.db2.gz RKIJHRJTDODVPQ-UYRXBGFRSA-N 0 1 497.370 4.939 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)c1 ZINC000408762907 570037212 /nfs/dbraw/zinc/03/72/12/570037212.db2.gz LRYRALYWMQXHQS-OEAKJJBVSA-N 0 1 459.571 4.633 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c1 ZINC000408763723 570037531 /nfs/dbraw/zinc/03/75/31/570037531.db2.gz ULUOIDQNGHPWHW-WSDLNYQXSA-N 0 1 479.989 4.978 40 10 JJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000408773813 570039653 /nfs/dbraw/zinc/03/96/53/570039653.db2.gz TVTOVZJOMHVWPG-NTEUORMPSA-N 0 1 479.783 4.641 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3c(OCC)ccc4ccc(OCC)cc43)C(=O)NC2=S)cc1 ZINC000408776323 570040282 /nfs/dbraw/zinc/04/02/82/570040282.db2.gz NRBBHJBPDFUFJW-XQNSMLJCSA-N 0 1 490.581 4.867 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1C ZINC000408781532 570041663 /nfs/dbraw/zinc/04/16/63/570041663.db2.gz BILGDHFSUOKVLJ-SFQUDFHCSA-N 0 1 474.567 4.755 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408818213 570051114 /nfs/dbraw/zinc/05/11/14/570051114.db2.gz PFDOWUVQKSZZOA-OEAKJJBVSA-N 0 1 469.541 4.968 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408820736 570051899 /nfs/dbraw/zinc/05/18/99/570051899.db2.gz ZLYLBOSBYAMAEK-HYARGMPZSA-N 0 1 455.514 4.660 40 10 JJCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 ZINC000408854940 570056228 /nfs/dbraw/zinc/05/62/28/570056228.db2.gz BKUXSXRAMUQUNM-RVDMUPIBSA-N 0 1 478.401 4.680 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F ZINC000408870982 570059638 /nfs/dbraw/zinc/05/96/38/570059638.db2.gz WLYXSFGQAWAUCP-STZFKDTASA-N 0 1 460.530 4.647 40 10 JJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408874032 570060644 /nfs/dbraw/zinc/06/06/44/570060644.db2.gz XTPPGAKFDCZOSG-HAHDFKILSA-N 0 1 456.567 4.734 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Br)cc1 ZINC000408882890 570063457 /nfs/dbraw/zinc/06/34/57/570063457.db2.gz SNVQXPNPLBFGTF-ZHZULCJRSA-N 0 1 493.382 4.859 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000408897046 570067354 /nfs/dbraw/zinc/06/73/54/570067354.db2.gz PYNYEMUTGGKRHY-ZHZULCJRSA-N 0 1 476.529 4.635 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408939383 570082313 /nfs/dbraw/zinc/08/23/13/570082313.db2.gz SAGAXOZNOZSYIA-KGENOOAVSA-N 0 1 493.382 4.859 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967225 570087848 /nfs/dbraw/zinc/08/78/48/570087848.db2.gz RDVBQVGZDRPRAT-PXLXIMEGSA-N 0 1 466.566 4.782 40 10 JJCBMN CN1C(=O)NC(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O ZINC000409000254 570096206 /nfs/dbraw/zinc/09/62/06/570096206.db2.gz YAEYFSKILMUELZ-XQNSMLJCSA-N 0 1 492.491 4.811 40 10 JJCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409070499 570118064 /nfs/dbraw/zinc/11/80/64/570118064.db2.gz YPKNYCQRTUZXLV-NTEUORMPSA-N 0 1 464.349 4.564 40 10 JJCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c1C ZINC000409126773 570138287 /nfs/dbraw/zinc/13/82/87/570138287.db2.gz FZTJAWZIJASZOK-UNOMPAQXSA-N 0 1 461.499 4.611 40 10 JJCBMN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409181729 570159478 /nfs/dbraw/zinc/15/94/78/570159478.db2.gz FIFQWJCDGIILAQ-CHHVJCJISA-N 0 1 454.888 4.897 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000409186337 570160663 /nfs/dbraw/zinc/16/06/63/570160663.db2.gz AOXQPUIDRVQCRE-HZHRSRAPSA-N 0 1 473.598 4.941 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(OCC)c4)C3=O)c2C)cc1 ZINC000409186865 570160752 /nfs/dbraw/zinc/16/07/52/570160752.db2.gz IVUUIISFGOJZCA-BUVRLJJBSA-N 0 1 489.597 4.723 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000409187204 570160825 /nfs/dbraw/zinc/16/08/25/570160825.db2.gz NIWUOYPUTFUACM-HYARGMPZSA-N 0 1 479.989 4.978 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 ZINC000409187653 570161000 /nfs/dbraw/zinc/16/10/00/570161000.db2.gz SWKFBKAZMCTDPW-HZHRSRAPSA-N 0 1 459.571 4.633 40 10 JJCBMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000409231477 570177866 /nfs/dbraw/zinc/17/78/66/570177866.db2.gz JHEOFHHFNSWQOS-DEDYPNTBSA-N 0 1 491.525 4.818 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409231350 570177895 /nfs/dbraw/zinc/17/78/95/570177895.db2.gz CETBNWWGJAXSOM-CIAFOILYSA-N 0 1 499.514 4.953 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409237215 570180294 /nfs/dbraw/zinc/18/02/94/570180294.db2.gz IKLAXWHXHLXVCU-RAXLEYEMSA-N 0 1 488.308 4.993 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Cl)cc1OC ZINC000409238625 570180903 /nfs/dbraw/zinc/18/09/03/570180903.db2.gz FCTBGIZOUUDUNN-LICLKQGHSA-N 0 1 458.967 4.702 40 10 JJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c1 ZINC000409242917 570182757 /nfs/dbraw/zinc/18/27/57/570182757.db2.gz PRXRWPNEHPOYEI-MHWRWJLKSA-N 0 1 473.392 4.684 40 10 JJCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)NC1=S ZINC000409244143 570183346 /nfs/dbraw/zinc/18/33/46/570183346.db2.gz YMHBPZIQYKDVIU-HYARGMPZSA-N 0 1 496.548 4.738 40 10 JJCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1 ZINC000409244904 570183735 /nfs/dbraw/zinc/18/37/35/570183735.db2.gz KFNOXXVNVYOUFT-HAHDFKILSA-N 0 1 469.541 4.968 40 10 JJCBMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409246999 570184556 /nfs/dbraw/zinc/18/45/56/570184556.db2.gz FQMPCPIJUFZEFR-OQLLNIDSSA-N 0 1 479.783 4.641 40 10 JJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409253531 570186453 /nfs/dbraw/zinc/18/64/53/570186453.db2.gz ZLRNEXVPHIZQHV-LFIBNONCSA-N 0 1 456.354 4.924 40 10 JJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409254287 570186671 /nfs/dbraw/zinc/18/66/71/570186671.db2.gz WVQMJNLXGHDYHZ-GZTJUZNOSA-N 0 1 473.392 4.803 40 10 JJCBMN Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009010590 194503953 /nfs/dbraw/zinc/50/39/53/194503953.db2.gz YKZYODZYYUEFLT-LPYMAVHISA-N 0 1 498.564 4.531 40 10 JJCBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 ZINC000059135833 195390844 /nfs/dbraw/zinc/39/08/44/195390844.db2.gz LIHFHVXVNAEOFF-LFIBNONCSA-N 0 1 451.435 4.974 40 10 JJCBMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c(C)c1 ZINC000059136191 195391397 /nfs/dbraw/zinc/39/13/97/195391397.db2.gz ICMGNNAEBNRWNO-CPNJWEJPSA-N 0 1 491.544 5.000 40 10 JJCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000033552555 521949729 /nfs/dbraw/zinc/94/97/29/521949729.db2.gz YRIVPYCFXAMUQU-WQRHYEAKSA-N 0 1 452.869 4.528 40 10 JJCBMN COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000016268493 523314165 /nfs/dbraw/zinc/31/41/65/523314165.db2.gz GVZVOFKMUIHARX-UNOMPAQXSA-N 0 1 476.514 4.683 40 10 JJCBMN Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2)c1=O ZINC000016249325 527542866 /nfs/dbraw/zinc/54/28/66/527542866.db2.gz RSLMKFMSSGPRNK-DEDYPNTBSA-N 0 1 450.340 4.970 40 10 JJCBMN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O ZINC000008820564 554707374 /nfs/dbraw/zinc/70/73/74/554707374.db2.gz KUJQJHOGGJHZFH-QIROLCGISA-N 0 1 483.571 4.867 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(C)C ZINC000016575345 556144691 /nfs/dbraw/zinc/14/46/91/556144691.db2.gz JGFSNKYPPIWDTD-NBBMTCPGSA-N 0 1 480.605 4.797 40 10 JJCBMN Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000026786907 556263356 /nfs/dbraw/zinc/26/33/56/556263356.db2.gz XRXLPIGPSPSVCQ-UHFFFAOYSA-N 0 1 486.398 4.949 40 10 JJCBMN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccccc1 ZINC000018044405 556279493 /nfs/dbraw/zinc/27/94/93/556279493.db2.gz RZOPRTLUUCKVMN-SJBKTWHCSA-N 0 1 469.324 4.746 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000034687848 569645603 /nfs/dbraw/zinc/64/56/03/569645603.db2.gz LGKFQXMTQPUZQF-NDENLUEZSA-N 0 1 493.903 4.687 40 10 JJCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 ZINC000034909763 569671423 /nfs/dbraw/zinc/67/14/23/569671423.db2.gz UHDZGWNAQFPKPI-NDENLUEZSA-N 0 1 497.320 4.637 40 10 JJCBMN COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000083318726 569708743 /nfs/dbraw/zinc/70/87/43/569708743.db2.gz UFQGPQYKGOQUDV-RCCKNPSSSA-N 0 1 485.496 4.824 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000108145798 569858841 /nfs/dbraw/zinc/85/88/41/569858841.db2.gz CRCJCWDTTCAHEZ-PXLXIMEGSA-N 0 1 472.566 4.668 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000108948278 569860013 /nfs/dbraw/zinc/86/00/13/569860013.db2.gz SRHZKJNKMCFSFA-HYARGMPZSA-N 0 1 490.556 4.807 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000109040228 569860395 /nfs/dbraw/zinc/86/03/95/569860395.db2.gz PCGVVZYYLYMSQM-ATVHPVEESA-N 0 1 481.917 4.902 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 ZINC000208244872 569875222 /nfs/dbraw/zinc/87/52/22/569875222.db2.gz FBTJGGYENQHZIY-HIPSJFSSSA-N 0 1 484.021 4.902 40 10 JJCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000222472803 569884482 /nfs/dbraw/zinc/88/44/82/569884482.db2.gz BDTBRBYRBRJXKG-MHWRWJLKSA-N 0 1 488.308 4.993 40 10 JJCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223582932 569916847 /nfs/dbraw/zinc/91/68/47/569916847.db2.gz QSGHCRAVOXJEOM-NIZGNDASSA-N 0 1 477.630 4.947 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408692026 570015206 /nfs/dbraw/zinc/01/52/06/570015206.db2.gz BRGRCQYTPBTTBR-GZTJUZNOSA-N 0 1 487.325 4.572 40 10 JJCBMN Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000408694170 570016813 /nfs/dbraw/zinc/01/68/13/570016813.db2.gz DLRDOCCQTSWVOR-DEDYPNTBSA-N 0 1 483.362 4.741 40 10 JJCBMN Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1 ZINC000408695592 570017960 /nfs/dbraw/zinc/01/79/60/570017960.db2.gz WOETXDWYDNSUSU-DEDYPNTBSA-N 0 1 483.362 4.741 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408695730 570018082 /nfs/dbraw/zinc/01/80/82/570018082.db2.gz XWEYNHCISSMARZ-XDHOZWIPSA-N 0 1 487.325 4.572 40 10 JJCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000408723324 570027510 /nfs/dbraw/zinc/02/75/10/570027510.db2.gz QYYJQLUCRUYNPR-LCYFTJDESA-N 0 1 480.116 4.838 40 10 JJCBMN COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(C(C)(C)C)cc3C(C)(C)C)CC2)cc1 ZINC000226070569 570035727 /nfs/dbraw/zinc/03/57/27/570035727.db2.gz YMYRILHMRHAWCZ-VWLOTQADSA-N 0 1 498.708 4.869 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c1 ZINC000408784908 570042726 /nfs/dbraw/zinc/04/27/26/570042726.db2.gz DCYCKMQNOYXOON-GHRIWEEISA-N 0 1 490.566 4.537 40 10 JJCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408802105 570046013 /nfs/dbraw/zinc/04/60/13/570046013.db2.gz DAJMBTSBGNARCH-UHFFFAOYSA-N 0 1 464.905 4.529 40 10 JJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000408852631 570055847 /nfs/dbraw/zinc/05/58/47/570055847.db2.gz VFPZJMZSXRZLKX-JLHYYAGUSA-N 0 1 465.358 4.622 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1F ZINC000408877066 570061675 /nfs/dbraw/zinc/06/16/75/570061675.db2.gz PGDZIJCOLHCDPH-ZHZULCJRSA-N 0 1 450.922 4.901 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408964656 570087146 /nfs/dbraw/zinc/08/71/46/570087146.db2.gz FAIORFDNKOEZHW-YBFXNURJSA-N 0 1 483.952 4.727 40 10 JJCBMN COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000408968381 570088213 /nfs/dbraw/zinc/08/82/13/570088213.db2.gz YHDRNWUWPVHSMR-GZTJUZNOSA-N 0 1 498.919 4.665 40 10 JJCBMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 ZINC000408968446 570088222 /nfs/dbraw/zinc/08/82/22/570088222.db2.gz YWRGCFZDPVHDRP-GZTJUZNOSA-N 0 1 468.893 4.773 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2c(C)cccc2C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408990643 570093979 /nfs/dbraw/zinc/09/39/79/570093979.db2.gz OIJUDBJYJXSELQ-DEOSSOPVSA-N 0 1 480.634 4.579 40 10 JJCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409011263 570099688 /nfs/dbraw/zinc/09/96/88/570099688.db2.gz GTQVXJOLZINDMB-LDADJPATSA-N 0 1 486.778 4.725 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)cc1 ZINC000409012636 570100016 /nfs/dbraw/zinc/10/00/16/570100016.db2.gz KUZZGCBVAWEKPS-XSFVSMFZSA-N 0 1 480.387 4.634 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409091076 570124882 /nfs/dbraw/zinc/12/48/82/570124882.db2.gz SYFCDTRYRGJTPX-UNOMPAQXSA-N 0 1 494.960 4.795 40 10 JJCBMN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1Cl ZINC000409125334 570137555 /nfs/dbraw/zinc/13/75/55/570137555.db2.gz DWYVPUVKXDJLFR-LDADJPATSA-N 0 1 486.952 4.588 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409134597 570141681 /nfs/dbraw/zinc/14/16/81/570141681.db2.gz WMWLDQMQKTUUKY-CJLVFECKSA-N 0 1 455.583 4.888 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409143294 570145650 /nfs/dbraw/zinc/14/56/50/570145650.db2.gz MQNJEZGDMXJIGF-FYJGNVAPSA-N 0 1 488.569 4.759 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC(C)C ZINC000409143874 570145883 /nfs/dbraw/zinc/14/58/83/570145883.db2.gz NZZOWXKCUYWBKH-CXUHLZMHSA-N 0 1 458.967 4.584 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000409186778 570160682 /nfs/dbraw/zinc/16/06/82/570160682.db2.gz HSIDQPPEMXLJIW-BUVRLJJBSA-N 0 1 473.598 4.941 40 10 JJCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409221099 570174425 /nfs/dbraw/zinc/17/44/25/570174425.db2.gz KVOJTDKMWSWUKY-CPNJWEJPSA-N 0 1 455.461 4.636 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409222832 570174988 /nfs/dbraw/zinc/17/49/88/570174988.db2.gz XTNNAMVYHRDJGX-JAIQZWGSSA-N 0 1 494.960 4.795 40 10 JJCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000409230340 570177627 /nfs/dbraw/zinc/17/76/27/570177627.db2.gz CCDYTVDCCDWVEM-OVCLIPMQSA-N 0 1 468.884 4.977 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409235857 570179616 /nfs/dbraw/zinc/17/96/16/570179616.db2.gz CPXACCYMPDTRMU-LPYMAVHISA-N 0 1 458.587 4.752 40 10 JJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000409235971 570179767 /nfs/dbraw/zinc/17/97/67/570179767.db2.gz DOKDTBFMVSUVJV-GHRIWEEISA-N 0 1 463.481 4.510 40 10 JJCBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2c1 ZINC000409237067 570180267 /nfs/dbraw/zinc/18/02/67/570180267.db2.gz VQZPUNBCOZZLDG-XDHOZWIPSA-N 0 1 486.471 4.707 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409238155 570180711 /nfs/dbraw/zinc/18/07/11/570180711.db2.gz LVEXOMZIRVNGCR-RGVLZGJSSA-N 0 1 465.962 4.593 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409239404 570181231 /nfs/dbraw/zinc/18/12/31/570181231.db2.gz NENVYQUUZOITBV-YBFXNURJSA-N 0 1 484.503 4.648 40 10 JJCBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2c1 ZINC000409242628 570182564 /nfs/dbraw/zinc/18/25/64/570182564.db2.gz XGUBBYDLGDRHMH-HYARGMPZSA-N 0 1 460.555 4.812 40 10 JJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000409247422 570184828 /nfs/dbraw/zinc/18/48/28/570184828.db2.gz HEXYTOCAMUOOGE-DSQDWWTGSA-N 0 1 473.392 4.766 40 10 JJCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000409247424 570184857 /nfs/dbraw/zinc/18/48/57/570184857.db2.gz HEXYTOCAMUOOGE-LUYJPIOASA-N 0 1 473.392 4.766 40 10 JJCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OCc1ccccc1 ZINC000409252913 570186202 /nfs/dbraw/zinc/18/62/02/570186202.db2.gz YFUJNFPZYOQQOX-QGOAFFKASA-N 0 1 478.957 4.759 40 10 JJCBMN O=C(NN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S)c1cccs1 ZINC000409328791 570203119 /nfs/dbraw/zinc/20/31/19/570203119.db2.gz BAABMPZYNQPYTJ-HMMYKYKNSA-N 0 1 482.608 4.752 40 10 JJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000059135869 195390774 /nfs/dbraw/zinc/39/07/74/195390774.db2.gz QINFMDGTJAUGEN-XSFVSMFZSA-N 0 1 462.550 4.971 40 10 JJCBMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 ZINC000059135943 195391106 /nfs/dbraw/zinc/39/11/06/195391106.db2.gz QOWULZLQASBEJF-CPNJWEJPSA-N 0 1 477.517 4.691 40 10 JJCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 ZINC000059136220 195391357 /nfs/dbraw/zinc/39/13/57/195391357.db2.gz ZSHWMNSSBRARSP-XDHOZWIPSA-N 0 1 491.544 5.000 40 10 JJCBMN COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C ZINC000059136182 195391370 /nfs/dbraw/zinc/39/13/70/195391370.db2.gz ZJIKIMPHTHJYHH-QGOAFFKASA-N 0 1 477.517 4.691 40 10 JJCBMN Cc1c(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1C ZINC000059198562 195395182 /nfs/dbraw/zinc/39/51/82/195395182.db2.gz DMXWHMIEDWFPQS-BOPFTXTBSA-N 0 1 454.349 4.921 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1C ZINC000059249023 195396161 /nfs/dbraw/zinc/39/61/61/195396161.db2.gz CTNSUXIXXRVKEK-DEDYPNTBSA-N 0 1 480.387 4.688 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000016449009 526947626 /nfs/dbraw/zinc/94/76/26/526947626.db2.gz ZWLXKHMZGVSJHA-AQTBWJFISA-N 0 1 477.473 4.985 40 10 JJCBMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F ZINC000016713086 527017935 /nfs/dbraw/zinc/01/79/35/527017935.db2.gz HOFJDSJELVMBEM-XLHBQHSSSA-N 0 1 488.512 4.795 40 10 JJCBMN O=C1C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F ZINC000016713086 527017940 /nfs/dbraw/zinc/01/79/40/527017940.db2.gz HOFJDSJELVMBEM-XLHBQHSSSA-N 0 1 488.512 4.795 40 10 JJCBMN CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000002900547 554410020 /nfs/dbraw/zinc/41/00/20/554410020.db2.gz XLYRCSWKTHYLFR-XSFVSMFZSA-N 0 1 472.383 4.546 40 10 JJCBMN Cc1ccc(C2=NC(=O)/C(=C\c3cc(Br)c(O)c(O)c3Br)S2)cc1 ZINC000013476710 555403245 /nfs/dbraw/zinc/40/32/45/555403245.db2.gz MTTVIEULRKSDBO-KPKJPENVSA-N 0 1 469.154 4.992 40 10 JJCBMN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(OC)cc2OC)cc1 ZINC000020288712 555758313 /nfs/dbraw/zinc/75/83/13/555758313.db2.gz SOBMIIOTOGBDFG-UQQQWYQISA-N 0 1 473.529 4.858 40 10 JJCBMN Cc1ccccc1N1Oc2c(O)n(-c3cccc(Cl)c3)c(O)c2[C@H]1c1ccc(N(C)C)cc1 ZINC000011907991 555855641 /nfs/dbraw/zinc/85/56/41/555855641.db2.gz FRDITJHYSUICSB-WXFUMESZSA-N 0 1 461.949 4.766 40 10 JJCBMN Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000011907991 555855643 /nfs/dbraw/zinc/85/56/43/555855643.db2.gz FRDITJHYSUICSB-WXFUMESZSA-N 0 1 461.949 4.766 40 10 JJCBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 ZINC000033586442 569628328 /nfs/dbraw/zinc/62/83/28/569628328.db2.gz HOFCRNYZDPMVGX-UDWIEESQSA-N 0 1 452.869 4.528 40 10 JJCBMN Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)c1 ZINC000033710145 569631325 /nfs/dbraw/zinc/63/13/25/569631325.db2.gz WWXWACYOAHZYAV-MOSHPQCFSA-N 0 1 463.331 4.798 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000033775909 569634321 /nfs/dbraw/zinc/63/43/21/569634321.db2.gz HOIVSWJCFRWQFH-MOSHPQCFSA-N 0 1 493.357 4.888 40 10 JJCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000101155940 569784851 /nfs/dbraw/zinc/78/48/51/569784851.db2.gz HTWFYLIVGNAONG-VABKMULXSA-N 0 1 465.912 4.596 40 10 JJCBMN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000103920016 569839319 /nfs/dbraw/zinc/83/93/19/569839319.db2.gz IARUHKRNOANUOH-ODLFYWEKSA-N 0 1 458.902 4.741 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000107890054 569857791 /nfs/dbraw/zinc/85/77/91/569857791.db2.gz GHNTYIDGLMNUSU-JLPGSUDCSA-N 0 1 465.465 4.788 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000108100929 569858570 /nfs/dbraw/zinc/85/85/70/569858570.db2.gz YMEOSVHLKYSWRC-YBFXNURJSA-N 0 1 480.904 4.573 40 10 JJCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000108120398 569858737 /nfs/dbraw/zinc/85/87/37/569858737.db2.gz IFYHRXRMNMVTRM-ODLFYWEKSA-N 0 1 497.320 4.637 40 10 JJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537643 569915080 /nfs/dbraw/zinc/91/50/80/569915080.db2.gz PJRWIOMBVDXYEQ-VUODPORTSA-N 0 1 451.567 4.769 40 10 JJCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223922001 569927396 /nfs/dbraw/zinc/92/73/96/569927396.db2.gz BOPSBYZAIRLNQF-UHFFFAOYSA-N 0 1 480.973 4.671 40 10 JJCBMN CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C ZINC000408601082 569968920 /nfs/dbraw/zinc/96/89/20/569968920.db2.gz FCFUSTNHIIWLCK-UHFFFAOYSA-N 0 1 470.978 4.820 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408692715 570015564 /nfs/dbraw/zinc/01/55/64/570015564.db2.gz SQERMFVTEOPSHO-WOJGMQOQSA-N 0 1 487.325 4.572 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408694751 570017275 /nfs/dbraw/zinc/01/72/75/570017275.db2.gz MIDAIESQXZJHSE-LDADJPATSA-N 0 1 487.325 4.572 40 10 JJCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C(=O)NC1=S ZINC000408744448 570033064 /nfs/dbraw/zinc/03/30/64/570033064.db2.gz ZXRYGBLXOFSRNA-NTUHNPAUSA-N 0 1 470.175 4.896 40 10 JJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c1 ZINC000408772441 570039183 /nfs/dbraw/zinc/03/91/83/570039183.db2.gz PEYLASZSJDAZHA-SFQUDFHCSA-N 0 1 474.567 4.755 40 10 JJCBMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000408844520 570054254 /nfs/dbraw/zinc/05/42/54/570054254.db2.gz DLHJJIJAGIOFAU-DEDYPNTBSA-N 0 1 474.586 4.775 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c(C)c1 ZINC000408852605 570055899 /nfs/dbraw/zinc/05/58/99/570055899.db2.gz LUHPGXBLDKQGBA-CPNJWEJPSA-N 0 1 480.387 4.688 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408874263 570060665 /nfs/dbraw/zinc/06/06/65/570060665.db2.gz ZPSCRTCANCASRU-JCMHNJIXSA-N 0 1 472.566 4.804 40 10 JJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408876396 570061262 /nfs/dbraw/zinc/06/12/62/570061262.db2.gz OHNMVVSDRYZTGA-ODLFYWEKSA-N 0 1 496.947 4.898 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408876866 570061435 /nfs/dbraw/zinc/06/14/35/570061435.db2.gz QTADATKQUCRICR-MOSHPQCFSA-N 0 1 493.928 4.659 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408899272 570067986 /nfs/dbraw/zinc/06/79/86/570067986.db2.gz OZNGIQJKONLITF-UNOMPAQXSA-N 0 1 466.921 4.889 40 10 JJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408916696 570075476 /nfs/dbraw/zinc/07/54/76/570075476.db2.gz GGSDVPSOPUIAIA-BKUYFWCQSA-N 0 1 466.921 4.889 40 10 JJCBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408953880 570084621 /nfs/dbraw/zinc/08/46/21/570084621.db2.gz QKQSPNMDRXTLMD-LDADJPATSA-N 0 1 485.396 4.681 40 10 JJCBMN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000408960499 570085672 /nfs/dbraw/zinc/08/56/72/570085672.db2.gz MLNPOGINKYAMOE-FOWTUZBSSA-N 0 1 460.386 4.733 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1 ZINC000408968511 570088244 /nfs/dbraw/zinc/08/82/44/570088244.db2.gz ZWUUTYFMYGJHMH-WQRHYEAKSA-N 0 1 453.926 4.718 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2ccc(C)cc2C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408993168 570094660 /nfs/dbraw/zinc/09/46/60/570094660.db2.gz VNSCQRNXNMJKHZ-DEOSSOPVSA-N 0 1 480.634 4.579 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409016984 570101434 /nfs/dbraw/zinc/10/14/34/570101434.db2.gz CKSDXLMKZZEXSP-WOJGMQOQSA-N 0 1 498.377 4.827 40 10 JJCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(F)c4)C3=O)o2)c(Br)c1 ZINC000409022255 570103367 /nfs/dbraw/zinc/10/33/67/570103367.db2.gz LEIDHDFNEPHKOX-BOPFTXTBSA-N 0 1 485.334 4.988 40 10 JJCBMN COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 ZINC000409074427 570119428 /nfs/dbraw/zinc/11/94/28/570119428.db2.gz ZKFVEOGQUZRDRY-NDENLUEZSA-N 0 1 479.989 4.896 40 10 JJCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1C ZINC000409075771 570119996 /nfs/dbraw/zinc/11/99/96/570119996.db2.gz XWMOYZFBKQSJOC-KGENOOAVSA-N 0 1 489.597 4.505 40 10 JJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)NC1=S ZINC000409083386 570122302 /nfs/dbraw/zinc/12/23/02/570122302.db2.gz AHHLIEGWNRIMIK-FOWTUZBSSA-N 0 1 457.958 4.609 40 10 JJCBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000409096916 570126992 /nfs/dbraw/zinc/12/69/92/570126992.db2.gz KZWQSZQVWRBIRJ-XNTDXEJSSA-N 0 1 479.783 4.641 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1 ZINC000409107969 570130951 /nfs/dbraw/zinc/13/09/51/570130951.db2.gz UNDPERXXSBNIIV-QGOAFFKASA-N 0 1 494.956 4.916 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC ZINC000409138361 570143364 /nfs/dbraw/zinc/14/33/64/570143364.db2.gz AOLQVTORORPEGQ-MHWRWJLKSA-N 0 1 458.967 4.586 40 10 JJCBMN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 ZINC000409145364 570146597 /nfs/dbraw/zinc/14/65/97/570146597.db2.gz OSAOJBZENBSFRN-KOEQRZSOSA-N 0 1 499.567 4.713 40 10 JJCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000409173093 570155655 /nfs/dbraw/zinc/15/56/55/570155655.db2.gz JIIHQLOIZASFML-WLVMFVESSA-N 0 1 460.555 4.857 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)NC1=S ZINC000409175264 570156646 /nfs/dbraw/zinc/15/66/46/570156646.db2.gz ZNSLRLOHABMMJK-PXLXIMEGSA-N 0 1 481.577 4.838 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000409201834 570165696 /nfs/dbraw/zinc/16/56/96/570165696.db2.gz QHIPGDXZFGMPQM-PDGQHHTCSA-N 0 1 465.912 4.887 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409229281 570177119 /nfs/dbraw/zinc/17/71/19/570177119.db2.gz MNVHYASVTSAGQG-MHWRWJLKSA-N 0 1 471.369 4.627 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1Cl ZINC000409230580 570177508 /nfs/dbraw/zinc/17/75/08/570177508.db2.gz ZQPOFMHFCOAEDX-GZTJUZNOSA-N 0 1 481.917 4.956 40 10 JJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409230323 570177567 /nfs/dbraw/zinc/17/75/67/570177567.db2.gz YGDDQAAOLLJMTQ-CPNJWEJPSA-N 0 1 455.461 4.636 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1O ZINC000409233112 570178522 /nfs/dbraw/zinc/17/85/22/570178522.db2.gz QJYIQGWQTJBOKM-CXUHLZMHSA-N 0 1 489.391 4.508 40 10 JJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000409236421 570179881 /nfs/dbraw/zinc/17/98/81/570179881.db2.gz FYQNUGWADHSDSK-WJDWOHSUSA-N 0 1 487.415 4.705 40 10 JJCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S ZINC000409237472 570180374 /nfs/dbraw/zinc/18/03/74/570180374.db2.gz WXFUOEFIZKOABH-HYARGMPZSA-N 0 1 469.541 4.968 40 10 JJCBMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000409238428 570180740 /nfs/dbraw/zinc/18/07/40/570180740.db2.gz ZWWBREMLQNVCME-WJDWOHSUSA-N 0 1 467.890 4.648 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409244212 570183368 /nfs/dbraw/zinc/18/33/68/570183368.db2.gz ZQBURXVTAIWRQB-DJKKODMXSA-N 0 1 493.972 4.616 40 10 JJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409246863 570184582 /nfs/dbraw/zinc/18/45/82/570184582.db2.gz KHZZOKLORLKQPE-NGWPFTMJSA-N 0 1 458.967 4.666 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000059136006 195390962 /nfs/dbraw/zinc/39/09/62/195390962.db2.gz FIHPITLHZYLTKP-WOJGMQOQSA-N 0 1 476.485 4.805 40 10 JJCBMN Cc1ccccc1N1Oc2c(O)n(-c3cccc(Cl)c3)c(O)c2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006144463 525226407 /nfs/dbraw/zinc/22/64/07/525226407.db2.gz FRDITJHYSUICSB-TZRRMPRUSA-N 0 1 461.949 4.766 40 10 JJCBMN Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006144463 525226421 /nfs/dbraw/zinc/22/64/21/525226421.db2.gz FRDITJHYSUICSB-TZRRMPRUSA-N 0 1 461.949 4.766 40 10 JJCBMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1Cl ZINC000010112170 555625075 /nfs/dbraw/zinc/62/50/75/555625075.db2.gz LDWLAAAVRUOZDW-UHFFFAOYSA-N 0 1 484.021 4.979 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1C ZINC000032192940 556433339 /nfs/dbraw/zinc/43/33/39/556433339.db2.gz CTNSUXIXXRVKEK-MOSHPQCFSA-N 0 1 480.387 4.688 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059594784 569607093 /nfs/dbraw/zinc/60/70/93/569607093.db2.gz QQGBYPNMQFDBHJ-FYJGNVAPSA-N 0 1 489.597 4.559 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000033735714 569632776 /nfs/dbraw/zinc/63/27/76/569632776.db2.gz BKHAPWCSPRRFHU-JLPGSUDCSA-N 0 1 454.526 4.773 40 10 JJCBMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000034746632 569655721 /nfs/dbraw/zinc/65/57/21/569655721.db2.gz JQFHUIOCQCUPSC-HYARGMPZSA-N 0 1 490.512 4.865 40 10 JJCBMN 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COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C)cc1 ZINC000109037216 569860428 /nfs/dbraw/zinc/86/04/28/569860428.db2.gz KBANOOLWKSHTJR-FYJGNVAPSA-N 0 1 493.357 4.807 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 ZINC000208233401 569875069 /nfs/dbraw/zinc/87/50/69/569875069.db2.gz RDMKXKQZQZBPPN-WMRWHDLOSA-N 0 1 463.603 4.557 40 10 JJCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208236081 569875153 /nfs/dbraw/zinc/87/51/53/569875153.db2.gz UKABNHYIDXGDQP-BRFSQIRFSA-N 0 1 451.567 4.687 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000208472809 569875642 /nfs/dbraw/zinc/87/56/42/569875642.db2.gz MQHZTTMECXTJPY-YBFXNURJSA-N 0 1 482.005 4.812 40 10 JJCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208515714 569875703 /nfs/dbraw/zinc/87/57/03/569875703.db2.gz ZEGWJXKBZHBPTG-KGENOOAVSA-N 0 1 461.587 4.548 40 10 JJCBMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)NC(C)C ZINC000408598369 569968046 /nfs/dbraw/zinc/96/80/46/569968046.db2.gz ZMMYHOQINYWEAJ-UHFFFAOYSA-N 0 1 470.978 4.818 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408692346 570015463 /nfs/dbraw/zinc/01/54/63/570015463.db2.gz KKVDMMBJPXVFCM-XDHOZWIPSA-N 0 1 468.937 4.722 40 10 JJCBMN CCCn1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)cc2sc1=O ZINC000225734277 570018574 /nfs/dbraw/zinc/01/85/74/570018574.db2.gz RGLOJIOJOFRURP-UHFFFAOYSA-N 0 1 452.557 4.505 40 10 JJCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)C(=O)NC1=S ZINC000408740881 570032072 /nfs/dbraw/zinc/03/20/72/570032072.db2.gz IVUMATJKCFFGBY-WOJGMQOQSA-N 0 1 473.392 4.624 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000408744444 570033079 /nfs/dbraw/zinc/03/30/79/570033079.db2.gz ZVQHVTCPYBIBGO-WJDWOHSUSA-N 0 1 467.890 4.648 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408753648 570035009 /nfs/dbraw/zinc/03/50/09/570035009.db2.gz BKFMJIZXMDEDOT-CIAFOILYSA-N 0 1 494.414 4.996 40 10 JJCBMN Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(I)cc2)c1=O ZINC000408756030 570035533 /nfs/dbraw/zinc/03/55/33/570035533.db2.gz GXEXIHHDGIMTHD-DEDYPNTBSA-N 0 1 497.340 4.812 40 10 JJCBMN COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(C(C)(C)C)cc3C(C)(C)C)CC2)cc1 ZINC000226070560 570035693 /nfs/dbraw/zinc/03/56/93/570035693.db2.gz YMYRILHMRHAWCZ-RUZDIDTESA-N 0 1 498.708 4.869 40 10 JJCBMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[nH]n(-c2cccc(Cl)c2)c1=O ZINC000408758177 570036120 /nfs/dbraw/zinc/03/61/20/570036120.db2.gz WLEHYLFTGILUOE-UDWIEESQSA-N 0 1 450.886 4.769 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3c(OCC)ccc4ccc(OCC)cc43)C(=O)NC2=S)c1 ZINC000408772081 570039192 /nfs/dbraw/zinc/03/91/92/570039192.db2.gz KYDGPDVBNAXWII-XQNSMLJCSA-N 0 1 490.581 4.867 40 10 JJCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000408789872 570043847 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/nfs/dbraw/zinc/08/74/86/570087486.db2.gz MAIIUGULOHDJCJ-ZDLGFXPLSA-N 0 1 498.923 4.626 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000408967155 570087910 /nfs/dbraw/zinc/08/79/10/570087910.db2.gz QDTDAPAMHYDZLG-GIJQJNRQSA-N 0 1 471.916 4.857 40 10 JJCBMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000408968424 570088282 /nfs/dbraw/zinc/08/82/82/570088282.db2.gz YTNAUXNHEZRMOZ-YBEGLDIGSA-N 0 1 485.880 4.787 40 10 JJCBMN C=C1N=C(SCc2cc(OC)ccc2OC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408986302 570092366 /nfs/dbraw/zinc/09/23/66/570092366.db2.gz BRIPVHWUURQPKQ-QHCPKHFHSA-N 0 1 469.607 4.541 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408988492 570093283 /nfs/dbraw/zinc/09/32/83/570093283.db2.gz ICHPRFYLYRTAKF-XMMPIXPASA-N 0 1 480.634 4.579 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408991589 570094273 /nfs/dbraw/zinc/09/42/73/570094273.db2.gz OKAZHKGFURVRDC-SFQUDFHCSA-N 0 1 490.566 4.589 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)c(Cl)c3)C(=O)NC2=S)c1 ZINC000409014495 570100572 /nfs/dbraw/zinc/10/05/72/570100572.db2.gz PSNBPOFXKNVQMM-XWAFYUISSA-N 0 1 458.967 4.747 40 10 JJCBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cccc1OC ZINC000409075161 570119671 /nfs/dbraw/zinc/11/96/71/570119671.db2.gz VLYOVAWUMIXFRP-HKJJFUAXSA-N 0 1 458.967 4.666 40 10 JJCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1 ZINC000409084167 570122555 /nfs/dbraw/zinc/12/25/55/570122555.db2.gz BSJFAPLXDFZYIY-SFQUDFHCSA-N 0 1 480.929 4.526 40 10 JJCBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2c1 ZINC000409104431 570129643 /nfs/dbraw/zinc/12/96/43/570129643.db2.gz ZPLDIVKXTSMPDY-LDADJPATSA-N 0 1 466.946 4.650 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409106621 570130414 /nfs/dbraw/zinc/13/04/14/570130414.db2.gz OKIDKICAKPHEOT-LDADJPATSA-N 0 1 464.978 4.591 40 10 JJCBMN COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1 ZINC000409134070 570141420 /nfs/dbraw/zinc/14/14/20/570141420.db2.gz RSOVNRGIKGCDFV-XKZIYDEJSA-N 0 1 459.571 4.551 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c(C)c1 ZINC000409134432 570141668 /nfs/dbraw/zinc/14/16/68/570141668.db2.gz SPSLSVFALIDDCD-GZTJUZNOSA-N 0 1 481.917 4.956 40 10 JJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c1C ZINC000409144920 570146325 /nfs/dbraw/zinc/14/63/25/570146325.db2.gz HENXLUBKGHRYMO-XDHOZWIPSA-N 0 1 461.499 4.611 40 10 JJCBMN Cc1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)ccc1Br ZINC000409162456 570152454 /nfs/dbraw/zinc/15/24/54/570152454.db2.gz VLEIZEFBODNTDS-LDADJPATSA-N 0 1 465.303 4.680 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)NC1=S ZINC000409173575 570155826 /nfs/dbraw/zinc/15/58/26/570155826.db2.gz MAAYMYZSESZHTG-XDHOZWIPSA-N 0 1 479.989 4.896 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)NC1=S ZINC000409174094 570156074 /nfs/dbraw/zinc/15/60/74/570156074.db2.gz RVSYMUBEPZDDDK-VBKFSLOCSA-N 0 1 497.370 4.857 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)NC1=S ZINC000409175352 570156653 /nfs/dbraw/zinc/15/66/53/570156653.db2.gz XRIZMQAJNYCWIK-SFQUDFHCSA-N 0 1 452.919 4.748 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1 ZINC000409186324 570160689 /nfs/dbraw/zinc/16/06/89/570160689.db2.gz AKEXBJQFRLKMPI-LFVJCYFKSA-N 0 1 473.598 4.887 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4CC)C3=O)c2C)cc1 ZINC000409186895 570160857 /nfs/dbraw/zinc/16/08/57/570160857.db2.gz JEUSISAVNDZVRY-XQNSMLJCSA-N 0 1 473.598 4.887 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409198033 570164126 /nfs/dbraw/zinc/16/41/26/570164126.db2.gz VCJXKECPRNSBOT-NDENLUEZSA-N 0 1 484.394 4.878 40 10 JJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409225182 570175689 /nfs/dbraw/zinc/17/56/89/570175689.db2.gz JQIQAYXTGHYDLB-GZTJUZNOSA-N 0 1 460.408 4.936 40 10 JJCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 ZINC000409227890 570176399 /nfs/dbraw/zinc/17/63/99/570176399.db2.gz SNNRIMDJABDCEH-MOSHPQCFSA-N 0 1 461.499 4.810 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1Cl ZINC000409229843 570177250 /nfs/dbraw/zinc/17/72/50/570177250.db2.gz AHWIVSRNGKPHDT-GZTJUZNOSA-N 0 1 467.890 4.648 40 10 JJCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S ZINC000409231339 570177938 /nfs/dbraw/zinc/17/79/38/570177938.db2.gz CAWWHXAAKWVBJN-ATVHPVEESA-N 0 1 467.344 4.849 40 10 JJCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)c(C)c1 ZINC000409232817 570178497 /nfs/dbraw/zinc/17/84/97/570178497.db2.gz SEJDDSOOSOLGAB-XDHOZWIPSA-N 0 1 494.956 4.835 40 10 JJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000409235172 570179362 /nfs/dbraw/zinc/17/93/62/570179362.db2.gz YUEILKASSCLHEU-LDADJPATSA-N 0 1 475.879 4.981 40 10 JJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000409236613 570180045 /nfs/dbraw/zinc/18/00/45/570180045.db2.gz TZMFXUBBVYOHKX-LFIBNONCSA-N 0 1 467.890 4.648 40 10 JJCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000409237666 570180464 /nfs/dbraw/zinc/18/04/64/570180464.db2.gz KSQQGLGIJJREFG-CPNJWEJPSA-N 0 1 469.488 4.944 40 10 JJCBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000409240012 570181580 /nfs/dbraw/zinc/18/15/80/570181580.db2.gz NWMUSVUQXKOEPJ-LFIBNONCSA-N 0 1 467.890 4.648 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCC ZINC000409240852 570181910 /nfs/dbraw/zinc/18/19/10/570181910.db2.gz INXDIXORNJFVFD-OVCLIPMQSA-N 0 1 498.910 4.988 40 10 JJCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409241245 570181989 /nfs/dbraw/zinc/18/19/89/570181989.db2.gz SJKILBKDWLJUQX-UKTHLTGXSA-N 0 1 479.783 4.721 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000409244184 570183324 /nfs/dbraw/zinc/18/33/24/570183324.db2.gz ZBXBIVKXOBHMNX-FOWTUZBSSA-N 0 1 486.778 4.725 40 10 JJCBMN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408526248 570185853 /nfs/dbraw/zinc/18/58/53/570185853.db2.gz BFFBULSPCROAHC-PTNGSMBKSA-N 0 1 462.307 4.903 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409253104 570186319 /nfs/dbraw/zinc/18/63/19/570186319.db2.gz YRIIVXLBBKTKKH-HYARGMPZSA-N 0 1 458.587 4.752 40 10 JJCBMN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408529152 570187170 /nfs/dbraw/zinc/18/71/70/570187170.db2.gz HBUYVKHQGLTVKZ-WQLSENKSSA-N 0 1 460.719 4.711 40 10 JJCBMN Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408529152 570187171 /nfs/dbraw/zinc/18/71/71/570187171.db2.gz HBUYVKHQGLTVKZ-WQLSENKSSA-N 0 1 460.719 4.711 40 10 JJCBMN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1cccs1 ZINC000409329226 570203298 /nfs/dbraw/zinc/20/32/98/570203298.db2.gz CLKQWUNZTXBHQN-UNOMPAQXSA-N 0 1 497.579 4.782 40 10 JJCBMN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)c1cccs1 ZINC000409329134 570203341 /nfs/dbraw/zinc/20/33/41/570203341.db2.gz CXPNLUSSRHZVCT-CPNJWEJPSA-N 0 1 452.582 4.873 40 10 JJCBMN O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458385 194123934 /nfs/dbraw/zinc/12/39/34/194123934.db2.gz ZRGNWLOYBVFDOS-NRFANRHFSA-N 0 1 471.439 4.848 40 10 JJCBMN O=C([C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458385 194123936 /nfs/dbraw/zinc/12/39/36/194123936.db2.gz ZRGNWLOYBVFDOS-NRFANRHFSA-N 0 1 471.439 4.848 40 10 JJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccc(Br)cc23)C1=O ZINC000059087286 195387481 /nfs/dbraw/zinc/38/74/81/195387481.db2.gz RFMUPGWGJGOEIJ-VCHYOVAHSA-N 0 1 452.308 4.774 40 10 JJCBMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 ZINC000059135751 195390557 /nfs/dbraw/zinc/39/05/57/195390557.db2.gz BJECWUBJVWYWKG-WJDWOHSUSA-N 0 1 451.435 4.974 40 10 JJCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059135744 195390629 /nfs/dbraw/zinc/39/06/29/195390629.db2.gz XTIRZMXDQIPCLK-PDGQHHTCSA-N 0 1 464.478 4.813 40 10 JJCBMN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C ZINC000059136174 195391345 /nfs/dbraw/zinc/39/13/45/195391345.db2.gz JGVCWSYPOPQDNU-GZTJUZNOSA-N 0 1 494.504 4.822 40 10 JJCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OC ZINC000059136312 195391515 /nfs/dbraw/zinc/39/15/15/195391515.db2.gz PMABBIMTTUHDBB-XYOKQWHBSA-N 0 1 479.327 4.667 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc2c(c1)OCO2 ZINC000059136430 195391772 /nfs/dbraw/zinc/39/17/72/195391772.db2.gz FEHLXPJUYLIKJS-SFQUDFHCSA-N 0 1 476.485 4.805 40 10 JJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409231692 195508015 /nfs/dbraw/zinc/50/80/15/195508015.db2.gz FPIUGWDWRXKAEI-RBYWHNRPSA-N 0 1 452.576 4.827 40 10 JJCBMN CCN(CC)CCOC(=O)[C@H](c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000016693699 520692601 /nfs/dbraw/zinc/69/26/01/520692601.db2.gz JVPKEALHIJEPMX-VWLOTQADSA-N 0 1 455.554 4.672 40 10 JJCBMN O=C1C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000016713089 527027141 /nfs/dbraw/zinc/02/71/41/527027141.db2.gz DABKSJXPBRTMGZ-ZRAWKSOBSA-N 0 1 488.512 4.795 40 10 JJCBMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000016713089 527027145 /nfs/dbraw/zinc/02/71/45/527027145.db2.gz DABKSJXPBRTMGZ-ZRAWKSOBSA-N 0 1 488.512 4.795 40 10 JJCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000000646051 553727258 /nfs/dbraw/zinc/72/72/58/553727258.db2.gz PXTFTCGUYHEKPN-RVDMUPIBSA-N 0 1 480.958 4.792 40 10 JJCBMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000000830700 553790319 /nfs/dbraw/zinc/79/03/19/553790319.db2.gz WKOHCJNRHAAKST-UHFFFAOYSA-N 0 1 494.576 4.943 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000009263208 555038014 /nfs/dbraw/zinc/03/80/14/555038014.db2.gz LMOQGIAEVJQTJY-UNOMPAQXSA-N 0 1 465.962 4.593 40 10 JJCBMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)c1 ZINC000013668888 555558118 /nfs/dbraw/zinc/55/81/18/555558118.db2.gz YQOHKMCJMVTETJ-UHFFFAOYSA-N 0 1 484.021 4.979 40 10 JJCBMN COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000014135318 555703089 /nfs/dbraw/zinc/70/30/89/555703089.db2.gz DZUDECRVBRMEMS-FLIBITNWSA-N 0 1 486.174 4.596 40 10 JJCBMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1C(=O)N1CCCC1 ZINC000011121585 555761627 /nfs/dbraw/zinc/76/16/27/555761627.db2.gz XGGCABDLLQHQAX-UHFFFAOYSA-N 0 1 498.988 4.616 40 10 JJCBMN CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1CCC ZINC000020595771 555839053 /nfs/dbraw/zinc/83/90/53/555839053.db2.gz OPMINFFMPJJRIE-QNGOZBTKSA-N 0 1 450.489 4.983 40 10 JJCBMN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1C ZINC000015231356 555889490 /nfs/dbraw/zinc/88/94/90/555889490.db2.gz HRWJNNNUHJJZEP-GZTJUZNOSA-N 0 1 498.919 4.665 40 10 JJCBMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000032109705 556419853 /nfs/dbraw/zinc/41/98/53/556419853.db2.gz OKCPVUIKMDOLPV-HMAPJEAMSA-N 0 1 489.553 4.561 40 10 JJCBMN Cc1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1 ZINC000033536834 569627523 /nfs/dbraw/zinc/62/75/23/569627523.db2.gz LHWQFNVGHYYLDC-MOSHPQCFSA-N 0 1 463.331 4.798 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 ZINC000033720799 569632024 /nfs/dbraw/zinc/63/20/24/569632024.db2.gz NHMPHVFHUKOEOV-ATVHPVEESA-N 0 1 484.295 4.942 40 10 JJCBMN Cc1cccc(C)c1OCCOc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000033773267 569634259 /nfs/dbraw/zinc/63/42/59/569634259.db2.gz YRWANDUCWYGKPN-PXLXIMEGSA-N 0 1 460.486 4.857 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000035153276 569676288 /nfs/dbraw/zinc/67/62/88/569676288.db2.gz ZUBWUXZLONMOHQ-MOSHPQCFSA-N 0 1 467.294 4.629 40 10 JJCBMN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100901288 569774762 /nfs/dbraw/zinc/77/47/62/569774762.db2.gz RZOPRTLUUCKVMN-VWPQPMDRSA-N 0 1 469.324 4.746 40 10 JJCBMN Nc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1/N=N/c1ccccc1 ZINC000104090926 569840783 /nfs/dbraw/zinc/84/07/83/569840783.db2.gz PAQABCKKWSEBTJ-SWGBCSPSSA-N 0 1 474.510 4.668 40 10 JJCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc21 ZINC000107931195 569858014 /nfs/dbraw/zinc/85/80/14/569858014.db2.gz CAAJVIBCONZHRN-ULJHMMPZSA-N 0 1 450.494 4.889 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000108249100 569859254 /nfs/dbraw/zinc/85/92/54/569859254.db2.gz JDMPDAJWRNOWBP-RQZCQDPDSA-N 0 1 458.301 4.656 40 10 JJCBMN Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2Br)c1 ZINC000108922704 569859851 /nfs/dbraw/zinc/85/98/51/569859851.db2.gz OCBCLGCKLNRFOX-YBFXNURJSA-N 0 1 495.329 4.592 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)cc1 ZINC000108983174 569860146 /nfs/dbraw/zinc/86/01/46/569860146.db2.gz MIABBTKGRRPOCR-HYARGMPZSA-N 0 1 488.569 4.704 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Br)s1 ZINC000111459465 569860941 /nfs/dbraw/zinc/86/09/41/569860941.db2.gz SSWZBENAFNMVBG-SOFGYWHQSA-N 0 1 462.177 4.649 40 10 JJCBMN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 ZINC000208196470 569874938 /nfs/dbraw/zinc/87/49/38/569874938.db2.gz OKUYGMBEWFIBGU-HIPSJFSSSA-N 0 1 453.995 4.893 40 10 JJCBMN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208448890 569875451 /nfs/dbraw/zinc/87/54/51/569875451.db2.gz CPQXQFKZXAMYPW-YBFXNURJSA-N 0 1 496.430 4.912 40 10 JJCBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 ZINC000208474235 569875615 /nfs/dbraw/zinc/87/56/15/569875615.db2.gz KDQJEKIOWATQDL-WOJGMQOQSA-N 0 1 451.979 4.803 40 10 JJCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2C(C)=CC1(C)C ZINC000208519531 569875723 /nfs/dbraw/zinc/87/57/23/569875723.db2.gz CYBMIAPIXGGHCS-CPNJWEJPSA-N 0 1 463.578 4.987 40 10 JJCBMN CSc1ccc(C(=O)c2coc3ccc([O-])c(C[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)c23)cc1 ZINC000218059454 569882625 /nfs/dbraw/zinc/88/26/25/569882625.db2.gz BVSYARSDXOZTMN-PKOBYXMFSA-N 0 1 486.593 4.872 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408692081 570015309 /nfs/dbraw/zinc/01/53/09/570015309.db2.gz CZLQNGXJOHKJGV-YBFXNURJSA-N 0 1 468.937 4.640 40 10 JJCBMN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2Br)cc1 ZINC000408692391 570015535 /nfs/dbraw/zinc/01/55/35/570015535.db2.gz LMNOLYCSKFRFLQ-XDHOZWIPSA-N 0 1 483.362 4.741 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408693951 570016538 /nfs/dbraw/zinc/01/65/38/570016538.db2.gz CQPSWFJTRRUCBS-HZHRSRAPSA-N 0 1 485.496 4.731 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408694690 570017153 /nfs/dbraw/zinc/01/71/53/570017153.db2.gz LOQNSHWYGUYDQK-SFQUDFHCSA-N 0 1 459.329 4.977 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000408743332 570032951 /nfs/dbraw/zinc/03/29/51/570032951.db2.gz VRIJCHFGRCPZSR-AWNIVKPZSA-N 0 1 456.148 4.587 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408739986 570031764 /nfs/dbraw/zinc/03/17/64/570031764.db2.gz CGIPMESXDUTWMS-FYJGNVAPSA-N 0 1 476.529 4.553 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740061 570031794 /nfs/dbraw/zinc/03/17/94/570031794.db2.gz ICOIIWLKVONVPM-HYARGMPZSA-N 0 1 479.005 4.645 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000408741032 570032147 /nfs/dbraw/zinc/03/21/47/570032147.db2.gz JKJAJMZLAXCLII-WUXMJOGZSA-N 0 1 456.148 4.587 40 10 JJCBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408742864 570032871 /nfs/dbraw/zinc/03/28/71/570032871.db2.gz TVBRSFPUBPXLMW-PDGQHHTCSA-N 0 1 481.371 4.751 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1 ZINC000408786740 570043255 /nfs/dbraw/zinc/04/32/55/570043255.db2.gz MQPQTWRUPXESCL-GHRIWEEISA-N 0 1 474.567 4.701 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408809791 570048803 /nfs/dbraw/zinc/04/88/03/570048803.db2.gz JDVLBIDMXGPXRO-OEAKJJBVSA-N 0 1 485.540 4.669 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OC ZINC000408844697 570054362 /nfs/dbraw/zinc/05/43/62/570054362.db2.gz KXHOTUJQHBXHIM-YRNVUSSQSA-N 0 1 485.776 4.885 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408873387 570060354 /nfs/dbraw/zinc/06/03/54/570060354.db2.gz QFYCCOJDOOSXPL-STZFKDTASA-N 0 1 476.529 4.635 40 10 JJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408883487 570063697 /nfs/dbraw/zinc/06/36/97/570063697.db2.gz TTYCHUPHJJBBEF-ODLFYWEKSA-N 0 1 496.947 4.898 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1 ZINC000408932479 570080550 /nfs/dbraw/zinc/08/05/50/570080550.db2.gz CHJFLYUVLMLMEQ-XSFVSMFZSA-N 0 1 485.487 4.726 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408990672 570094008 /nfs/dbraw/zinc/09/40/08/570094008.db2.gz LILPSNLFQSAUIA-LDADJPATSA-N 0 1 490.566 4.589 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)CC)c(Cl)c3)C(=O)NC2=S)c1 ZINC000409014494 570100576 /nfs/dbraw/zinc/10/05/76/570100576.db2.gz PSNBPOFXKNVQMM-BGARDKSCSA-N 0 1 458.967 4.747 40 10 JJCBMN CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(C(C)(C)C)c1O ZINC000409024415 570103945 /nfs/dbraw/zinc/10/39/45/570103945.db2.gz XSSWWIUGNLNANI-LICLKQGHSA-N 0 1 454.567 4.958 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409095299 570126390 /nfs/dbraw/zinc/12/63/90/570126390.db2.gz HCWCSMLAYMMYDK-LDADJPATSA-N 0 1 480.567 4.588 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)c(OC)c1 ZINC000409103346 570129249 /nfs/dbraw/zinc/12/92/49/570129249.db2.gz YCIGWSKNWYTFMQ-RGEXLXHISA-N 0 1 476.579 4.686 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409106270 570130244 /nfs/dbraw/zinc/13/02/44/570130244.db2.gz QTFFDACFTQCWIS-DEDYPNTBSA-N 0 1 479.989 4.896 40 10 JJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c1C ZINC000409134464 570141640 /nfs/dbraw/zinc/14/16/40/570141640.db2.gz SZWWRBCGYNLXOI-MHWRWJLKSA-N 0 1 473.392 4.684 40 10 JJCBMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000409148744 570148297 /nfs/dbraw/zinc/14/82/97/570148297.db2.gz RDMYHJYFGWAYLR-OEAKJJBVSA-N 0 1 486.597 4.501 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000409188012 570160964 /nfs/dbraw/zinc/16/09/64/570160964.db2.gz WIGCDZCAQDJFIK-HZHRSRAPSA-N 0 1 459.571 4.633 40 10 JJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Cl)c3)C2=O)cc1OCC ZINC000409190314 570161775 /nfs/dbraw/zinc/16/17/75/570161775.db2.gz WPHAJMFXIKWFPT-LDADJPATSA-N 0 1 486.952 4.588 40 10 JJCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)cc1 ZINC000409220983 570174281 /nfs/dbraw/zinc/17/42/81/570174281.db2.gz IUQACCQZMUVVOP-GIJQJNRQSA-N 0 1 468.376 4.885 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCC ZINC000409223508 570175261 /nfs/dbraw/zinc/17/52/61/570175261.db2.gz ZTTRPYQJXPKXMS-MHWRWJLKSA-N 0 1 458.967 4.586 40 10 JJCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCc1ccccc1 ZINC000409226953 570176212 /nfs/dbraw/zinc/17/62/12/570176212.db2.gz OBXZANLUXAVWTF-KGENOOAVSA-N 0 1 472.566 4.722 40 10 JJCBMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409232579 570178453 /nfs/dbraw/zinc/17/84/53/570178453.db2.gz RKHZNKZDRJWNAB-DEDYPNTBSA-N 0 1 492.988 4.537 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12 ZINC000409235043 570179267 /nfs/dbraw/zinc/17/92/67/570179267.db2.gz ASMPNPCSQYGQCM-XDJHFCHBSA-N 0 1 461.974 4.925 40 10 JJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1 ZINC000409235469 570179523 /nfs/dbraw/zinc/17/95/23/570179523.db2.gz QFSAHDGCRDTDIH-CPNJWEJPSA-N 0 1 469.488 4.944 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409236464 570180028 /nfs/dbraw/zinc/18/00/28/570180028.db2.gz GRHDMYFCBZLEFP-XSFVSMFZSA-N 0 1 479.005 4.645 40 10 JJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409237300 570180210 /nfs/dbraw/zinc/18/02/10/570180210.db2.gz JJCDRAXWKFZHCI-BOPFTXTBSA-N 0 1 487.415 4.705 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC(C)C ZINC000409238176 570180717 /nfs/dbraw/zinc/18/07/17/570180717.db2.gz WAZVBTPVVSEVOG-MHWRWJLKSA-N 0 1 458.967 4.666 40 10 JJCBMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409238339 570180770 /nfs/dbraw/zinc/18/07/70/570180770.db2.gz NBPAGNAHKVZMAZ-VGOFMYFVSA-N 0 1 484.883 4.597 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409239314 570181167 /nfs/dbraw/zinc/18/11/67/570181167.db2.gz PJBXCXHOORNZFT-LDADJPATSA-N 0 1 494.960 4.795 40 10 JJCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000409239351 570181236 /nfs/dbraw/zinc/18/12/36/570181236.db2.gz MYHCIQBUTTVMRW-RVDMUPIBSA-N 0 1 467.890 4.648 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409239710 570181427 /nfs/dbraw/zinc/18/14/27/570181427.db2.gz DGRNNFQWCGCFQU-WOJGMQOQSA-N 0 1 494.960 4.795 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409240376 570181650 /nfs/dbraw/zinc/18/16/50/570181650.db2.gz TUEZAVVKBCFIBV-UCQKPKSFSA-N 0 1 488.569 4.957 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1 ZINC000409241454 570182114 /nfs/dbraw/zinc/18/21/14/570182114.db2.gz NKNDKUFCMXBJHQ-NDENLUEZSA-N 0 1 469.488 4.944 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC ZINC000409243313 570182984 /nfs/dbraw/zinc/18/29/84/570182984.db2.gz XIZBOIFSHDMUMV-UKTHLTGXSA-N 0 1 465.358 4.622 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409243561 570183117 /nfs/dbraw/zinc/18/31/17/570183117.db2.gz SMWJCWSXHHCZJQ-CIAFOILYSA-N 0 1 488.569 4.759 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409244846 570183550 /nfs/dbraw/zinc/18/35/50/570183550.db2.gz JLTHRYLDXSIMQX-GXDHUFHOSA-N 0 1 488.308 4.993 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 ZINC000409248226 570184910 /nfs/dbraw/zinc/18/49/10/570184910.db2.gz GYUDJNNBJBBZCO-HZHRSRAPSA-N 0 1 473.598 4.941 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409251730 570185906 /nfs/dbraw/zinc/18/59/06/570185906.db2.gz VWGKTSFCKVELHC-VXLYETTFSA-N 0 1 484.503 4.648 40 10 JJCBMN COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000001106622 194025611 /nfs/dbraw/zinc/02/56/11/194025611.db2.gz GHIWNJPUVYUGIO-NDENLUEZSA-N 0 1 497.320 4.637 40 10 JJCBMN CSc1nnc2c(n1)O[C@H](c1cc(Br)cc(Br)c1O)Nc1ccccc1-2 ZINC000003207975 194239232 /nfs/dbraw/zinc/23/92/32/194239232.db2.gz VCMRLMMQATWREV-OAHLLOKOSA-N 0 1 496.184 4.994 40 10 JJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3F)c3ccc(Br)cc23)C1=O ZINC000059087289 195387454 /nfs/dbraw/zinc/38/74/54/195387454.db2.gz BDYUTERUJWKYPA-RQZCQDPDSA-N 0 1 470.298 4.913 40 10 JJCBMN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C ZINC000059136173 195391340 /nfs/dbraw/zinc/39/13/40/195391340.db2.gz OUEDJWAMPYVAKP-GZTJUZNOSA-N 0 1 494.504 4.822 40 10 JJCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000059198515 195394895 /nfs/dbraw/zinc/39/48/95/195394895.db2.gz JOSMWPSSELYCCD-KPKJPENVSA-N 0 1 482.153 4.589 40 10 JJCBMN CCN(CC)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000096297468 535689693 /nfs/dbraw/zinc/68/96/93/535689693.db2.gz SRPBONRGTZUWMR-GSDHBNRESA-N 0 1 455.558 4.892 40 10 JJCBMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000005948350 554497903 /nfs/dbraw/zinc/49/79/03/554497903.db2.gz ALQZGWFTNXDXAC-PXLXIMEGSA-N 0 1 463.534 4.906 40 10 JJCBMN O=S(=O)(Nc1ccc(O)c2ccccc12)c1cc(Br)ccc1Br ZINC000008871867 554767843 /nfs/dbraw/zinc/76/78/43/554767843.db2.gz HVTQQQGDQODMIU-UHFFFAOYSA-N 0 1 457.143 4.871 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009260324 555034697 /nfs/dbraw/zinc/03/46/97/555034697.db2.gz YVHAAOOPYWHJAT-IWIPYMOSSA-N 0 1 481.577 4.838 40 10 JJCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 ZINC000059594830 569607049 /nfs/dbraw/zinc/60/70/49/569607049.db2.gz ZDKNQSCAHWAPLO-HYARGMPZSA-N 0 1 489.597 4.505 40 10 JJCBMN CCc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)cc1 ZINC000033735287 569632760 /nfs/dbraw/zinc/63/27/60/569632760.db2.gz SMFMLMXSMGUIKU-LFIBNONCSA-N 0 1 458.381 4.749 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc2ccccc21 ZINC000033551737 569627793 /nfs/dbraw/zinc/62/77/93/569627793.db2.gz AIQVTEGRTOHAKR-KQWNVCNZSA-N 0 1 465.465 4.788 40 10 JJCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 ZINC000035153398 569676297 /nfs/dbraw/zinc/67/62/97/569676297.db2.gz VCKZIEMJQWQPDM-NDENLUEZSA-N 0 1 497.320 4.637 40 10 JJCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1O ZINC000102740219 569819157 /nfs/dbraw/zinc/81/91/57/569819157.db2.gz SWQASVHFACEOHY-JAXLGGSGSA-N 0 1 485.323 4.759 40 10 JJCBMN C[C@@H](c1ccccc1)N1C(=O)NC(=O)/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C1=O ZINC000041074059 569834994 /nfs/dbraw/zinc/83/49/94/569834994.db2.gz GRKVYLZPFFDOQN-NOMGLIDZSA-N 0 1 483.553 4.558 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)C(=O)NC2=S)cc1 ZINC000107876393 569857742 /nfs/dbraw/zinc/85/77/42/569857742.db2.gz DCVQNGIJAZLNDZ-PXLXIMEGSA-N 0 1 460.530 4.798 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C(=O)NC2=S)cc1 ZINC000108070260 569858524 /nfs/dbraw/zinc/85/85/24/569858524.db2.gz LZYKYHIAVWPINT-LPYMAVHISA-N 0 1 488.569 4.704 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208193706 569874914 /nfs/dbraw/zinc/87/49/14/569874914.db2.gz DHBWRIUYSQOSBM-ZFMLPXDISA-N 0 1 463.603 4.639 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408691966 570015214 /nfs/dbraw/zinc/01/52/14/570015214.db2.gz ABYOVELTJXWCMI-VCHYOVAHSA-N 0 1 489.355 4.985 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408692195 570015299 /nfs/dbraw/zinc/01/52/99/570015299.db2.gz GUYRJTZLKFOJDH-YBFXNURJSA-N 0 1 486.927 4.861 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1Cl ZINC000408692047 570015366 /nfs/dbraw/zinc/01/53/66/570015366.db2.gz CFABYERPWJSGFA-CPNJWEJPSA-N 0 1 468.937 4.722 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408692355 570015490 /nfs/dbraw/zinc/01/54/90/570015490.db2.gz KQCDGPBQWLCHAK-YBFXNURJSA-N 0 1 468.937 4.640 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccc1 ZINC000408742737 570032660 /nfs/dbraw/zinc/03/26/60/570032660.db2.gz 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HFKTUCWHXIBRMT-AQTBWJFISA-N 0 1 496.409 4.941 40 10 JJCBMN CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000059135734 195390809 /nfs/dbraw/zinc/39/08/09/195390809.db2.gz FQQYTUJWPMJLQS-XYOKQWHBSA-N 0 1 479.327 4.667 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 ZINC000059135834 195390815 /nfs/dbraw/zinc/39/08/15/195390815.db2.gz XCFQBBUAGGUMHD-GHRIWEEISA-N 0 1 464.474 4.934 40 10 JJCBMN COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000059136036 195390980 /nfs/dbraw/zinc/39/09/80/195390980.db2.gz DOFIJQWNDOCZLZ-UXBLZVDNSA-N 0 1 469.719 4.922 40 10 JJCBMN CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000059136144 195391199 /nfs/dbraw/zinc/39/11/99/195391199.db2.gz DTVWYCCMSVQSNH-XYOKQWHBSA-N 0 1 479.327 4.667 40 10 JJCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)cc1 ZINC000409232607 195510365 /nfs/dbraw/zinc/51/03/65/195510365.db2.gz RRQMZSLPFMVNJV-KGENOOAVSA-N 0 1 451.567 4.771 40 10 JJCBMN 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CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408534501 570189501 /nfs/dbraw/zinc/18/95/01/570189501.db2.gz VUISNRHWWNMXBO-LGMDPLHJSA-N 0 1 490.361 4.511 40 10 JJCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(OCc2ccccc2)cc1 ZINC000408551554 570195242 /nfs/dbraw/zinc/19/52/42/570195242.db2.gz NITYIRRWJIGALJ-UYRXBGFRSA-N 0 1 481.936 4.802 40 10 JJCBMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC ZINC000408585058 570207835 /nfs/dbraw/zinc/20/78/35/570207835.db2.gz BISSICQNQRWJLG-UHFFFAOYSA-N 0 1 488.949 4.949 40 10 JJCBMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3)c3ccc(Br)cc23)C1=O ZINC000059087291 195387473 /nfs/dbraw/zinc/38/74/73/195387473.db2.gz VIIFDKWQKHQHFP-XDHOZWIPSA-N 0 1 482.334 4.805 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000059136272 195391420 /nfs/dbraw/zinc/39/14/20/195391420.db2.gz VCDSDCFIXHCAFN-GXDHUFHOSA-N 0 1 482.405 4.574 40 10 JJCBMN COC(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1C ZINC000059136252 195391499 /nfs/dbraw/zinc/39/14/99/195391499.db2.gz QFHFHQSBDGJAQR-SFQUDFHCSA-N 0 1 464.474 4.852 40 10 JJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 ZINC000059249114 195396135 /nfs/dbraw/zinc/39/61/35/195396135.db2.gz DZSSRTSXMRLZGU-DEDYPNTBSA-N 0 1 480.387 4.688 40 10 JJCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C ZINC000409232471 195510004 /nfs/dbraw/zinc/51/00/04/195510004.db2.gz IHIJPJLJPITEBY-XDHOZWIPSA-N 0 1 479.989 4.896 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(C)c1 ZINC000009259617 520622479 /nfs/dbraw/zinc/62/24/79/520622479.db2.gz IRVRMOUMRAIYRK-JCMHNJIXSA-N 0 1 462.546 4.767 40 10 JJCBMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000016311351 527523589 /nfs/dbraw/zinc/52/35/89/527523589.db2.gz YZRLMINQTJSWTQ-UDWIEESQSA-N 0 1 451.324 4.763 40 10 JJCBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NCc1ccccc1 ZINC000059109527 569602402 /nfs/dbraw/zinc/60/24/02/569602402.db2.gz DLFNRYBUVDCAAQ-HZHRSRAPSA-N 0 1 484.556 4.593 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000059594406 569607090 /nfs/dbraw/zinc/60/70/90/569607090.db2.gz FJEAQVDKUVEUQK-HYARGMPZSA-N 0 1 497.576 4.538 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059594660 569607104 /nfs/dbraw/zinc/60/71/04/569607104.db2.gz DSDPUNZJPCCETJ-LPYMAVHISA-N 0 1 489.597 4.559 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000033654985 569629775 /nfs/dbraw/zinc/62/97/75/569629775.db2.gz QXAFSNWRHVBVIU-HAHDFKILSA-N 0 1 458.489 4.603 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000033777241 569634431 /nfs/dbraw/zinc/63/44/31/569634431.db2.gz MYKALILFZDWBJQ-JLPGSUDCSA-N 0 1 472.516 4.993 40 10 JJCBMN Cc1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)o2)ccc1Br ZINC000033929337 569637864 /nfs/dbraw/zinc/63/78/64/569637864.db2.gz XUBOKCMYWMEKBH-SFQUDFHCSA-N 0 1 457.324 4.812 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000034794610 569660795 /nfs/dbraw/zinc/66/07/95/569660795.db2.gz RQDRICGHXMJQGY-JLPGSUDCSA-N 0 1 472.516 4.993 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000035154399 569676258 /nfs/dbraw/zinc/67/62/58/569676258.db2.gz UOIMWHZVOFLASO-JLPGSUDCSA-N 0 1 465.465 4.788 40 10 JJCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1O ZINC000101099682 569782601 /nfs/dbraw/zinc/78/26/01/569782601.db2.gz SWQASVHFACEOHY-URVUXULASA-N 0 1 485.323 4.759 40 10 JJCBMN COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O ZINC000101199928 569786972 /nfs/dbraw/zinc/78/69/72/569786972.db2.gz YRJJLAGRSUMRBJ-VWPQPMDRSA-N 0 1 485.323 4.759 40 10 JJCBMN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)CC2)cc1 ZINC000038851131 569808893 /nfs/dbraw/zinc/80/88/93/569808893.db2.gz HUTSMSLLYQXAPQ-IBGZPJMESA-N 0 1 462.421 4.563 40 10 JJCBMN Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)n1 ZINC000104090895 569840739 /nfs/dbraw/zinc/84/07/39/569840739.db2.gz NEKGPXIAACPVOJ-BRMDCIMDSA-N 0 1 488.537 4.976 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000107709775 569857117 /nfs/dbraw/zinc/85/71/17/569857117.db2.gz IDAPKIQSYNOUHT-RQZCQDPDSA-N 0 1 458.301 4.656 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)cc1 ZINC000108205587 569859015 /nfs/dbraw/zinc/85/90/15/569859015.db2.gz QXIHIGNNAAZFNA-GZTJUZNOSA-N 0 1 473.392 4.630 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000113830722 569862025 /nfs/dbraw/zinc/86/20/25/569862025.db2.gz PCDAXAZCUWAQJK-DEDYPNTBSA-N 0 1 467.294 4.629 40 10 JJCBMN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 ZINC000208196512 569874928 /nfs/dbraw/zinc/87/49/28/569874928.db2.gz OKUYGMBEWFIBGU-YRIIZNAFSA-N 0 1 453.995 4.893 40 10 JJCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208517704 569875696 /nfs/dbraw/zinc/87/56/96/569875696.db2.gz VLWFYHCTIRNRGM-HYARGMPZSA-N 0 1 475.614 4.857 40 10 JJCBMN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000225209743 569982645 /nfs/dbraw/zinc/98/26/45/569982645.db2.gz NCGRLSSPGSFNBW-UHFFFAOYSA-N 0 1 472.010 4.917 40 10 JJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408725545 570027986 /nfs/dbraw/zinc/02/79/86/570027986.db2.gz KBRQZMNMILSTOI-MOSHPQCFSA-N 0 1 478.957 4.759 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739428 570031480 /nfs/dbraw/zinc/03/14/80/570031480.db2.gz BVAKDXSLTBUHQF-LPYMAVHISA-N 0 1 479.005 4.645 40 10 JJCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)NC1=S ZINC000408777911 570040679 /nfs/dbraw/zinc/04/06/79/570040679.db2.gz LSZMWGQJKZMEHQ-DTQAZKPQSA-N 0 1 474.567 4.701 40 10 JJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000408783296 570042308 /nfs/dbraw/zinc/04/23/08/570042308.db2.gz NWIHSJQXFNSMCJ-DHZHZOJOSA-N 0 1 455.750 4.877 40 10 JJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c1C ZINC000408785351 570042986 /nfs/dbraw/zinc/04/29/86/570042986.db2.gz YUKGBWKWKSJAAF-FOWTUZBSSA-N 0 1 474.567 4.755 40 10 JJCBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000408855860 570056559 /nfs/dbraw/zinc/05/65/59/570056559.db2.gz GBSGCLXEJDAXTC-PTNGSMBKSA-N 0 1 457.338 4.987 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Cl)c1 ZINC000408870515 570059546 /nfs/dbraw/zinc/05/95/46/570059546.db2.gz GALCZVBMIPDWFV-UNOMPAQXSA-N 0 1 450.922 4.901 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)cc1 ZINC000408871272 570059826 /nfs/dbraw/zinc/05/98/26/570059826.db2.gz YGCLOEMFPSGNAK-HKWRFOASSA-N 0 1 477.383 4.871 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408879282 570062407 /nfs/dbraw/zinc/06/24/07/570062407.db2.gz CTXVNHSPNYUVGU-UNOMPAQXSA-N 0 1 493.928 4.659 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408885111 570064210 /nfs/dbraw/zinc/06/42/10/570064210.db2.gz XSZDCSSDEBBULU-UNOMPAQXSA-N 0 1 493.928 4.659 40 10 JJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408886220 570064553 /nfs/dbraw/zinc/06/45/53/570064553.db2.gz FKTMZVKBUIJCKB-HMAPJEAMSA-N 0 1 472.566 4.722 40 10 JJCBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408952575 570084320 /nfs/dbraw/zinc/08/43/20/570084320.db2.gz LWCVONTTWJRHRO-GHRIWEEISA-N 0 1 485.396 4.681 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)cc1 ZINC000408967493 570088017 /nfs/dbraw/zinc/08/80/17/570088017.db2.gz SOAHTUNMRILDBC-LFVJCYFKSA-N 0 1 496.592 4.872 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408987242 570092816 /nfs/dbraw/zinc/09/28/16/570092816.db2.gz FHOOFXNFSTYSHE-QFIPXVFZSA-N 0 1 487.025 4.615 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408987241 570092864 /nfs/dbraw/zinc/09/28/64/570092864.db2.gz FHOOFXNFSTYSHE-JOCHJYFZSA-N 0 1 487.025 4.615 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408990301 570093848 /nfs/dbraw/zinc/09/38/48/570093848.db2.gz KJHJGCDZWAXHCD-MSXFZWOLSA-N 0 1 457.574 4.654 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408992241 570094354 /nfs/dbraw/zinc/09/43/54/570094354.db2.gz SNQDBHFBNHGJSE-DEOSSOPVSA-N 0 1 480.634 4.579 40 10 JJCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c1C ZINC000409013235 570100155 /nfs/dbraw/zinc/10/01/55/570100155.db2.gz MPAFPKNLNSATJC-CPNJWEJPSA-N 0 1 480.387 4.688 40 10 JJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 ZINC000409017179 570101641 /nfs/dbraw/zinc/10/16/41/570101641.db2.gz VFMDKBAALAHREB-XDHOZWIPSA-N 0 1 461.499 4.611 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)c(OC)c1 ZINC000409094712 570126137 /nfs/dbraw/zinc/12/61/37/570126137.db2.gz FMXPTUGBLGXODS-WOJGMQOQSA-N 0 1 482.945 4.757 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)c(OC)c1 ZINC000409095246 570126335 /nfs/dbraw/zinc/12/63/35/570126335.db2.gz HCZXIODGJSKYPQ-XSFVSMFZSA-N 0 1 476.579 4.686 40 10 JJCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1[N+](=O)[O-] ZINC000409118851 570135081 /nfs/dbraw/zinc/13/50/81/570135081.db2.gz QFZDEIRXUGIQHR-LFIBNONCSA-N 0 1 481.917 4.956 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000409124656 570137316 /nfs/dbraw/zinc/13/73/16/570137316.db2.gz BCSPZKOYSJBFIT-HYARGMPZSA-N 0 1 459.571 4.551 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409124680 570137380 /nfs/dbraw/zinc/13/73/80/570137380.db2.gz CASZBSIDOLJJIG-HZHRSRAPSA-N 0 1 472.614 4.608 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000409148574 570148158 /nfs/dbraw/zinc/14/81/58/570148158.db2.gz ZYRWRNIJGOZSIW-HYARGMPZSA-N 0 1 459.571 4.551 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409149872 570148797 /nfs/dbraw/zinc/14/87/97/570148797.db2.gz TXJHEVFIEQTGPF-FYJGNVAPSA-N 0 1 492.373 4.827 40 10 JJCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000409173092 570155621 /nfs/dbraw/zinc/15/56/21/570155621.db2.gz JIIHQLOIZASFML-MURKYSCBSA-N 0 1 460.555 4.857 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000409187240 570160880 /nfs/dbraw/zinc/16/08/80/570160880.db2.gz NVTDKELARUMBCA-HZHRSRAPSA-N 0 1 473.598 4.941 40 10 JJCBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cccc1OC ZINC000409220915 570174264 /nfs/dbraw/zinc/17/42/64/570174264.db2.gz HRWBVUUPQPXODS-SWEABUAFSA-N 0 1 458.967 4.666 40 10 JJCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409222895 570175117 /nfs/dbraw/zinc/17/51/17/570175117.db2.gz DQUXLUZAFFHAPC-GZTJUZNOSA-N 0 1 490.412 4.824 40 10 JJCBMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409224908 570175718 /nfs/dbraw/zinc/17/57/18/570175718.db2.gz JHPPLSXMGJUYLR-DHDCSXOGSA-N 0 1 454.857 4.589 40 10 JJCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409231693 570178095 /nfs/dbraw/zinc/17/80/95/570178095.db2.gz FPIUGWDWRXKAEI-UOEVCUDDSA-N 0 1 452.576 4.827 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409235377 570179472 /nfs/dbraw/zinc/17/94/72/570179472.db2.gz ZZDCTZIBSDSESU-QGOAFFKASA-N 0 1 494.414 4.996 40 10 JJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)NC1=S ZINC000409236518 570180022 /nfs/dbraw/zinc/18/00/22/570180022.db2.gz SOZKOQAFYQSPNM-LFIBNONCSA-N 0 1 467.890 4.648 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409239985 570181575 /nfs/dbraw/zinc/18/15/75/570181575.db2.gz IVQPRQRVQPPBMV-GXDHUFHOSA-N 0 1 488.308 4.993 40 10 JJCBMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 ZINC000409241213 570182019 /nfs/dbraw/zinc/18/20/19/570182019.db2.gz SCWCONNBFFVOKH-XDHOZWIPSA-N 0 1 464.930 4.942 40 10 JJCBMN COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 ZINC000409241910 570182272 /nfs/dbraw/zinc/18/22/72/570182272.db2.gz ZIAWRUZWPVTJAT-NHDPSOOVSA-N 0 1 479.989 4.896 40 10 JJCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)NC1=S ZINC000409242694 570182566 /nfs/dbraw/zinc/18/25/66/570182566.db2.gz XQHITBBZNJEPFE-LFIBNONCSA-N 0 1 467.890 4.648 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409247193 570184661 /nfs/dbraw/zinc/18/46/61/570184661.db2.gz GTGNBIXGIDOWRM-XSFVSMFZSA-N 0 1 479.989 4.978 40 10 JJCBMN 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O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F ZINC000001247973 194079623 /nfs/dbraw/zinc/07/96/23/194079623.db2.gz HOFJDSJELVMBEM-VHPHHHTASA-N 0 1 488.512 4.795 40 10 JJCBMN O=C1C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F ZINC000001247973 194079626 /nfs/dbraw/zinc/07/96/26/194079626.db2.gz HOFJDSJELVMBEM-VHPHHHTASA-N 0 1 488.512 4.795 40 10 JJCBMN O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458386 194123831 /nfs/dbraw/zinc/12/38/31/194123831.db2.gz ZRGNWLOYBVFDOS-OAQYLSRUSA-N 0 1 471.439 4.848 40 10 JJCBMN O=C([C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458386 194123834 /nfs/dbraw/zinc/12/38/34/194123834.db2.gz ZRGNWLOYBVFDOS-OAQYLSRUSA-N 0 1 471.439 4.848 40 10 JJCBMN O=C1C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000001452134 194123344 /nfs/dbraw/zinc/12/33/44/194123344.db2.gz DABKSJXPBRTMGZ-GKNGCNNXSA-N 0 1 488.512 4.795 40 10 JJCBMN 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/nfs/dbraw/zinc/09/62/05/555096205.db2.gz TWLUTQMZRBJCEV-VBKFSLOCSA-N 0 1 470.959 4.924 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2cccc(F)c2)o1 ZINC000015013152 555855070 /nfs/dbraw/zinc/85/50/70/555855070.db2.gz DXXVEKVHJJNPEX-BOPFTXTBSA-N 0 1 471.307 4.680 40 10 JJCBMN Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000032116682 556424898 /nfs/dbraw/zinc/42/48/98/556424898.db2.gz AGHWWCRJZMIBQB-GZTJUZNOSA-N 0 1 451.435 4.974 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000033632084 569629247 /nfs/dbraw/zinc/62/92/47/569629247.db2.gz LDWGTFJXHKXTRE-MTJSOVHGSA-N 0 1 473.916 4.651 40 10 JJCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000033731517 569632519 /nfs/dbraw/zinc/63/25/19/569632519.db2.gz YAQDAOLLUCARQY-JJIBRWJFSA-N 0 1 476.577 4.566 40 10 JJCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000034835969 569665339 /nfs/dbraw/zinc/66/53/39/569665339.db2.gz SDMWTRQROZAGOP-QPEQYQDCSA-N 0 1 451.729 4.783 40 10 JJCBMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)CC2)cc1 ZINC000038851128 569808898 /nfs/dbraw/zinc/80/88/98/569808898.db2.gz HUTSMSLLYQXAPQ-LJQANCHMSA-N 0 1 462.421 4.563 40 10 JJCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1O ZINC000102740226 569819233 /nfs/dbraw/zinc/81/92/33/569819233.db2.gz SWQASVHFACEOHY-RZUBCFFCSA-N 0 1 485.323 4.759 40 10 JJCBMN C[C@H](c1ccccc1)N1C(=O)NC(=O)/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C1=O ZINC000041074061 569834929 /nfs/dbraw/zinc/83/49/29/569834929.db2.gz GRKVYLZPFFDOQN-ATPAHOSSSA-N 0 1 483.553 4.558 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000208450003 569875439 /nfs/dbraw/zinc/87/54/39/569875439.db2.gz CZLVERODKKUTRX-HYARGMPZSA-N 0 1 475.614 4.857 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208448484 569875448 /nfs/dbraw/zinc/87/54/48/569875448.db2.gz RVJPKVSPQHKJCJ-KGENOOAVSA-N 0 1 461.587 4.548 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408695696 570018038 /nfs/dbraw/zinc/01/80/38/570018038.db2.gz XMJXULXVYBJREW-XDHOZWIPSA-N 0 1 487.325 4.572 40 10 JJCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)NC1=S ZINC000408741253 570032212 /nfs/dbraw/zinc/03/22/12/570032212.db2.gz LAUPDQSLFDGYDH-KPKJPENVSA-N 0 1 470.175 4.896 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408768620 570038458 /nfs/dbraw/zinc/03/84/58/570038458.db2.gz HXMMOGNCTPNKIU-LDADJPATSA-N 0 1 498.377 4.827 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1 ZINC000408867010 570058321 /nfs/dbraw/zinc/05/83/21/570058321.db2.gz HVKDETBCJYZBEZ-ZHZULCJRSA-N 0 1 493.382 4.859 40 10 JJCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408892850 570066218 /nfs/dbraw/zinc/06/62/18/570066218.db2.gz DGFCVHGIZCGSKQ-MOSHPQCFSA-N 0 1 478.957 4.759 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1F ZINC000408966351 570087492 /nfs/dbraw/zinc/08/74/92/570087492.db2.gz LZEUCLQLHVQFJQ-MHWRWJLKSA-N 0 1 471.916 4.857 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)cc1Cl ZINC000408991921 570094367 /nfs/dbraw/zinc/09/43/67/570094367.db2.gz PFCPSTSURMDPGS-RVDMUPIBSA-N 0 1 455.948 4.619 40 10 JJCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408994622 570095137 /nfs/dbraw/zinc/09/51/37/570095137.db2.gz GUQLBNXCAJOHSI-HZHRSRAPSA-N 0 1 451.551 4.829 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409021714 570103163 /nfs/dbraw/zinc/10/31/63/570103163.db2.gz UQYLDGXXUDYQDF-JAIQZWGSSA-N 0 1 453.926 4.718 40 10 JJCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409022926 570103474 /nfs/dbraw/zinc/10/34/74/570103474.db2.gz IERRCUYVPVEFLX-BOPFTXTBSA-N 0 1 471.307 4.680 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409138770 570143631 /nfs/dbraw/zinc/14/36/31/570143631.db2.gz HUQFOKUWHVFLOA-CIAFOILYSA-N 0 1 488.569 4.759 40 10 JJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccccc43)C2=O)cc1OC ZINC000409148866 570148423 /nfs/dbraw/zinc/14/84/23/570148423.db2.gz SXKXZSFURFHACD-CJLVFECKSA-N 0 1 488.540 4.698 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C(=O)NC1=S ZINC000409173336 570155766 /nfs/dbraw/zinc/15/57/66/570155766.db2.gz PCMFLHKRDSYZSE-KGENOOAVSA-N 0 1 473.598 4.859 40 10 JJCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000409184034 570160251 /nfs/dbraw/zinc/16/02/51/570160251.db2.gz HWQSONMRXVWGSE-PXLXIMEGSA-N 0 1 459.571 4.633 40 10 JJCBMN Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)c1 ZINC000409198607 570164275 /nfs/dbraw/zinc/16/42/75/570164275.db2.gz IMUCPSXDJJHMDF-KQWNVCNZSA-N 0 1 471.557 4.742 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)c2C)cc1 ZINC000409208877 570168470 /nfs/dbraw/zinc/16/84/70/570168470.db2.gz DVDLLJPIWMPVHF-UNOMPAQXSA-N 0 1 469.613 4.710 40 10 JJCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc12 ZINC000409225169 570175704 /nfs/dbraw/zinc/17/57/04/570175704.db2.gz JOOCBZHJJNKEKA-WOJGMQOQSA-N 0 1 456.445 4.699 40 10 JJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c1 ZINC000409232076 570178187 /nfs/dbraw/zinc/17/81/87/570178187.db2.gz NVMOVLRYSQNROR-CPNJWEJPSA-N 0 1 480.387 4.688 40 10 JJCBMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 ZINC000409233052 570178534 /nfs/dbraw/zinc/17/85/34/570178534.db2.gz JQOIBTSAQSKJOX-OEAKJJBVSA-N 0 1 486.597 4.501 40 10 JJCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409242250 570182451 /nfs/dbraw/zinc/18/24/51/570182451.db2.gz WHQKCXYEDLNPIR-XDHOZWIPSA-N 0 1 489.519 4.536 40 10 JJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000409242580 570182633 /nfs/dbraw/zinc/18/26/33/570182633.db2.gz OVQVWYPOZQXGPH-CPNJWEJPSA-N 0 1 469.488 4.944 40 10 JJCBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cccc1OC ZINC000409244355 570183440 /nfs/dbraw/zinc/18/34/40/570183440.db2.gz BJZSFPMVDCHRKH-ZGPWBKFBSA-N 0 1 452.576 4.827 40 10 JJCBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cccc1OC ZINC000409244354 570183480 /nfs/dbraw/zinc/18/34/80/570183480.db2.gz BJZSFPMVDCHRKH-RZKQZQCBSA-N 0 1 452.576 4.827 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409245117 570183887 /nfs/dbraw/zinc/18/38/87/570183887.db2.gz NQOODXXVFLVXNO-WOJGMQOQSA-N 0 1 453.926 4.718 40 10 JJCBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cccc1OC ZINC000409249007 570185187 /nfs/dbraw/zinc/18/51/87/570185187.db2.gz MIQCKTXIBFWRLO-VVBXCHJUSA-N 0 1 478.492 4.723 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409249659 570185452 /nfs/dbraw/zinc/18/54/52/570185452.db2.gz VBWKDIRZCHWHBH-VXLYETTFSA-N 0 1 464.978 4.591 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000059248003 195395915 /nfs/dbraw/zinc/39/59/15/195395915.db2.gz QPLDEEYUWHNPLU-LDADJPATSA-N 0 1 486.778 4.725 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)cc1 ZINC000001163077 524383378 /nfs/dbraw/zinc/38/33/78/524383378.db2.gz YMKQNBZVQLJFLM-UNOMPAQXSA-N 0 1 452.919 4.748 40 10 JJCBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NCc1cccs1 ZINC000033309097 527364714 /nfs/dbraw/zinc/36/47/14/527364714.db2.gz JOQVPVHOLVUSRR-FYJGNVAPSA-N 0 1 490.585 4.654 40 10 JJCBMN CC1CCN(C(=O)Cn2cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)CC1 ZINC000005945872 554497220 /nfs/dbraw/zinc/49/72/20/554497220.db2.gz JMHIUNKBWZZRJJ-PXLXIMEGSA-N 0 1 476.577 4.535 40 10 JJCBMN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000010112169 555625049 /nfs/dbraw/zinc/62/50/49/555625049.db2.gz VNJLDXPSDRDADA-UHFFFAOYSA-N 0 1 469.994 4.671 40 10 JJCBMN COc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(OC)c1 ZINC000020288025 555756832 /nfs/dbraw/zinc/75/68/32/555756832.db2.gz OGQYWFFNOGCMCU-KQWNVCNZSA-N 0 1 458.474 4.749 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000015012989 555854816 /nfs/dbraw/zinc/85/48/16/555854816.db2.gz CHVKUHHQQYTTNL-MOSHPQCFSA-N 0 1 473.504 4.799 40 10 JJCBMN O=[N+]([O-])c1cc([C@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000059489926 569605811 /nfs/dbraw/zinc/60/58/11/569605811.db2.gz TVTUAZBJUZZSAD-MUUNZHRXSA-N 0 1 472.589 4.838 40 10 JJCBMN O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000059489927 569605896 /nfs/dbraw/zinc/60/58/96/569605896.db2.gz TVTUAZBJUZZSAD-NDEPHWFRSA-N 0 1 472.589 4.838 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000033661709 569630145 /nfs/dbraw/zinc/63/01/45/569630145.db2.gz SLADQZHAVUEREX-XYGWBWBKSA-N 0 1 479.536 4.726 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000033759363 569633860 /nfs/dbraw/zinc/63/38/60/569633860.db2.gz VNZVRXFZAXKJMK-NDENLUEZSA-N 0 1 466.896 4.918 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000034718345 569652191 /nfs/dbraw/zinc/65/21/91/569652191.db2.gz ZFXDIOXJHOASTL-STZFKDTASA-N 0 1 493.357 4.888 40 10 JJCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000035201202 569678145 /nfs/dbraw/zinc/67/81/45/569678145.db2.gz QCQOIRGKYYRGQH-ODLFYWEKSA-N 0 1 497.320 4.637 40 10 JJCBMN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100901287 569774723 /nfs/dbraw/zinc/77/47/23/569774723.db2.gz RZOPRTLUUCKVMN-ONTIZHBOSA-N 0 1 469.324 4.746 40 10 JJCBMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4c(Cl)cccc4Cl)C3)CC2)cc1 ZINC000038851137 569808880 /nfs/dbraw/zinc/80/88/80/569808880.db2.gz CQHAWPFLQJJECR-GOSISDBHSA-N 0 1 462.421 4.563 40 10 JJCBMN Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)n1 ZINC000104090901 569840796 /nfs/dbraw/zinc/84/07/96/569840796.db2.gz NEKGPXIAACPVOJ-MCDSGTGBSA-N 0 1 488.537 4.976 40 10 JJCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000108975350 569860041 /nfs/dbraw/zinc/86/00/41/569860041.db2.gz DZYNRPADOPBEEL-HZHRSRAPSA-N 0 1 452.466 4.674 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 ZINC000208244912 569875209 /nfs/dbraw/zinc/87/52/09/569875209.db2.gz FBTJGGYENQHZIY-YRIIZNAFSA-N 0 1 484.021 4.902 40 10 JJCBMN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21 ZINC000208444470 569875437 /nfs/dbraw/zinc/87/54/37/569875437.db2.gz KUUMGUHWCYAANA-XDHOZWIPSA-N 0 1 451.979 4.803 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408692127 570015352 /nfs/dbraw/zinc/01/53/52/570015352.db2.gz DXWDOCZFYKTKTP-LICLKQGHSA-N 0 1 489.355 4.985 40 10 JJCBMN CC(C)n1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)cc2sc1=O ZINC000225717877 570017184 /nfs/dbraw/zinc/01/71/84/570017184.db2.gz XIQMIKBZILCJDX-UHFFFAOYSA-N 0 1 452.557 4.676 40 10 JJCBMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000408723290 570027481 /nfs/dbraw/zinc/02/74/81/570027481.db2.gz STIJHECHVMSXKE-LFIBNONCSA-N 0 1 457.338 4.987 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc(Br)c1 ZINC000408854358 570056138 /nfs/dbraw/zinc/05/61/38/570056138.db2.gz DBBAPQLHLCNNFA-DHZHZOJOSA-N 0 1 456.148 4.587 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000408810493 570048939 /nfs/dbraw/zinc/04/89/39/570048939.db2.gz JFZHPUMMFYWDOT-YBFXNURJSA-N 0 1 483.952 4.727 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408865159 570057951 /nfs/dbraw/zinc/05/79/51/570057951.db2.gz BCXXUEKOSGTTMJ-ODLFYWEKSA-N 0 1 480.948 4.910 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Br ZINC000408901072 570068594 /nfs/dbraw/zinc/06/85/94/570068594.db2.gz ZVVNNQXQDQYGLV-RGEXLXHISA-N 0 1 493.382 4.859 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C(=O)NC2=S)c1 ZINC000408967926 570088106 /nfs/dbraw/zinc/08/81/06/570088106.db2.gz SVALIRRNCDFYGV-HZHRSRAPSA-N 0 1 473.598 4.887 40 10 JJCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409009473 570099095 /nfs/dbraw/zinc/09/90/95/570099095.db2.gz AHTFOPFFYLFPNS-GZTJUZNOSA-N 0 1 471.307 4.680 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)cc1 ZINC000409011091 570099604 /nfs/dbraw/zinc/09/96/04/570099604.db2.gz LYYNRTMIYRNDHS-HYARGMPZSA-N 0 1 459.571 4.551 40 10 JJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1 ZINC000409014482 570100597 /nfs/dbraw/zinc/10/05/97/570100597.db2.gz POWYKDGVVYSISJ-DEDYPNTBSA-N 0 1 469.488 4.944 40 10 JJCBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409092489 570125364 /nfs/dbraw/zinc/12/53/64/570125364.db2.gz YZIKOYZDOUTACC-SFQUDFHCSA-N 0 1 480.929 4.526 40 10 JJCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)c(C)c1 ZINC000409101471 570128612 /nfs/dbraw/zinc/12/86/12/570128612.db2.gz XUUCIAKBHNNLOK-LDADJPATSA-N 0 1 494.956 4.835 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c(OC)c1 ZINC000409106284 570130246 /nfs/dbraw/zinc/13/02/46/570130246.db2.gz QXXWHAVTLHVPKG-GZTJUZNOSA-N 0 1 496.629 4.836 40 10 JJCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409107167 570130659 /nfs/dbraw/zinc/13/06/59/570130659.db2.gz VMDZHYXORNRXGH-XDUBLRSXSA-N 0 1 458.967 4.666 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409107239 570130714 /nfs/dbraw/zinc/13/07/14/570130714.db2.gz QFFSGYGGJFGJCJ-WOJGMQOQSA-N 0 1 464.978 4.591 40 10 JJCBMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000409127710 570138860 /nfs/dbraw/zinc/13/88/60/570138860.db2.gz JMFIZPSHWLCTFS-OEAKJJBVSA-N 0 1 486.597 4.501 40 10 JJCBMN CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O ZINC000409132169 570140660 /nfs/dbraw/zinc/14/06/60/570140660.db2.gz LOUPUYXFPBIUGY-XMHGGMMESA-N 0 1 486.952 4.588 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c(C)c1 ZINC000409142243 570145067 /nfs/dbraw/zinc/14/50/67/570145067.db2.gz XAYCTOJCSNTGHU-XDHOZWIPSA-N 0 1 461.499 4.611 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S ZINC000409167843 570153831 /nfs/dbraw/zinc/15/38/31/570153831.db2.gz OCSKVWYLIJCTBF-XSFVSMFZSA-N 0 1 485.540 4.669 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)NC1=S ZINC000409171491 570155004 /nfs/dbraw/zinc/15/50/04/570155004.db2.gz CECBIMKYDXWCCK-KGENOOAVSA-N 0 1 459.571 4.551 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)NC1=S ZINC000409172133 570155258 /nfs/dbraw/zinc/15/52/58/570155258.db2.gz IIKPJJPOEHBNCI-GZTJUZNOSA-N 0 1 483.952 4.727 40 10 JJCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1C ZINC000409173407 570155695 /nfs/dbraw/zinc/15/56/95/570155695.db2.gz MIFUYHSEUJHMHW-LDADJPATSA-N 0 1 495.988 4.596 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)NC1=S ZINC000409173249 570155773 /nfs/dbraw/zinc/15/57/73/570155773.db2.gz OFLGCFITWKYPND-PXLXIMEGSA-N 0 1 481.577 4.838 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)NC1=S ZINC000409173697 570155820 /nfs/dbraw/zinc/15/58/20/570155820.db2.gz QJYRGPPCKGWFDJ-XSFVSMFZSA-N 0 1 459.571 4.551 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S ZINC000409174039 570156112 /nfs/dbraw/zinc/15/61/12/570156112.db2.gz QIFGZEIRJWZVPQ-VBKFSLOCSA-N 0 1 483.343 4.549 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409199557 570164644 /nfs/dbraw/zinc/16/46/44/570164644.db2.gz OYLXXIFXSUMOSP-UNOMPAQXSA-N 0 1 470.367 4.569 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409230331 570177579 /nfs/dbraw/zinc/17/75/79/570177579.db2.gz YHGIPNABODWWRZ-UDWIEESQSA-N 0 1 494.414 4.996 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC ZINC000409232851 570178500 /nfs/dbraw/zinc/17/85/00/570178500.db2.gz BVUDMCIMWJCYFJ-VGOFMYFVSA-N 0 1 465.358 4.540 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409233203 570178596 /nfs/dbraw/zinc/17/85/96/570178596.db2.gz RWRFWKUMMJEUPN-CIAFOILYSA-N 0 1 479.989 4.896 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC(C)C ZINC000409234207 570179082 /nfs/dbraw/zinc/17/90/82/570179082.db2.gz IZUULSJQWMRRFZ-MDWZMJQESA-N 0 1 465.358 4.621 40 10 JJCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)c(C)c1 ZINC000409238711 570180851 /nfs/dbraw/zinc/18/08/51/570180851.db2.gz FKMILXWTGKGPMD-HYARGMPZSA-N 0 1 488.565 4.996 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 ZINC000409240066 570181573 /nfs/dbraw/zinc/18/15/73/570181573.db2.gz OFWJRTUVLXGNJH-GHRIWEEISA-N 0 1 480.929 4.608 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1 ZINC000409240409 570181659 /nfs/dbraw/zinc/18/16/59/570181659.db2.gz KNLYUBKGAQORNL-HAHDFKILSA-N 0 1 485.540 4.669 40 10 JJCBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000409240847 570181873 /nfs/dbraw/zinc/18/18/73/570181873.db2.gz IMOPTLCQWIITGU-KGENOOAVSA-N 0 1 474.538 4.688 40 10 JJCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409245575 570183936 /nfs/dbraw/zinc/18/39/36/570183936.db2.gz WAFFGEQKTKHFNB-CPNJWEJPSA-N 0 1 465.962 4.587 40 10 JJCBMN CCn1c2cc(Br)c(NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)cc2n(CC)c1=O ZINC000408533422 570189057 /nfs/dbraw/zinc/18/90/57/570189057.db2.gz SDZZEDBREJTWCR-LGMDPLHJSA-N 0 1 482.382 4.632 40 10 JJCBMN CCn1c2cc(Br)c(N=Cc3c(C)[nH]n(-c4ccc(C)cc4)c3=O)cc2n(CC)c1=O ZINC000408533422 570189058 /nfs/dbraw/zinc/18/90/58/570189058.db2.gz SDZZEDBREJTWCR-LGMDPLHJSA-N 0 1 482.382 4.632 40 10 JJCBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCCCCC1 ZINC000059087169 195387210 /nfs/dbraw/zinc/38/72/10/195387210.db2.gz GDMFMNSQHAREIC-XQNSMLJCSA-N 0 1 484.556 4.546 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000059135719 195390575 /nfs/dbraw/zinc/39/05/75/195390575.db2.gz WXKKMFMHHAYTLH-CPNJWEJPSA-N 0 1 477.473 4.985 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059136429 195391599 /nfs/dbraw/zinc/39/15/99/195391599.db2.gz ZWLXKHMZGVSJHA-QGOAFFKASA-N 0 1 477.473 4.985 40 10 JJCBMN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(OC)cc2OC)cc1 ZINC000020288715 555758356 /nfs/dbraw/zinc/75/83/56/555758356.db2.gz XGXAPKXEEWTNOH-JLPGSUDCSA-N 0 1 461.493 4.989 40 10 JJCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1O ZINC000017995255 556275041 /nfs/dbraw/zinc/27/50/41/556275041.db2.gz SWQASVHFACEOHY-ONTIZHBOSA-N 0 1 485.323 4.759 40 10 JJCBMN COc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1 ZINC000006296623 569588928 /nfs/dbraw/zinc/58/89/28/569588928.db2.gz MWRONXKVCIEFDJ-JJIBRWJFSA-N 0 1 487.556 4.523 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)cc1 ZINC000107689355 569857050 /nfs/dbraw/zinc/85/70/50/569857050.db2.gz AAWCZTNUXIETPR-MOSHPQCFSA-N 0 1 461.499 4.557 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 ZINC000208193747 569874896 /nfs/dbraw/zinc/87/48/96/569874896.db2.gz DHBWRIUYSQOSBM-YIRPMMGJSA-N 0 1 463.603 4.639 40 10 JJCBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 ZINC000208238570 569875126 /nfs/dbraw/zinc/87/51/26/569875126.db2.gz XVMDJXFYWBKIOA-XWAFYUISSA-N 0 1 453.995 4.893 40 10 JJCBMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1N1CCCC1=O ZINC000216434202 569878854 /nfs/dbraw/zinc/87/88/54/569878854.db2.gz UAMRZWQZLZPNQR-UHFFFAOYSA-N 0 1 468.962 4.807 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408692466 570015483 /nfs/dbraw/zinc/01/54/83/570015483.db2.gz NBQLNMAXHUKTRA-WOJGMQOQSA-N 0 1 487.325 4.572 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408692387 570015531 /nfs/dbraw/zinc/01/55/31/570015531.db2.gz LJRCMNXVIUOUHQ-HZHRSRAPSA-N 0 1 470.525 4.832 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408695102 570017523 /nfs/dbraw/zinc/01/75/23/570017523.db2.gz PHKKBFALWSWHLH-LICLKQGHSA-N 0 1 490.785 4.914 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408695810 570018051 /nfs/dbraw/zinc/01/80/51/570018051.db2.gz ZVRXICVFCKSVPV-WOJGMQOQSA-N 0 1 459.329 4.977 40 10 JJCBMN CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC ZINC000408697724 570019469 /nfs/dbraw/zinc/01/94/69/570019469.db2.gz LNMRCHYZMZQRCU-UHFFFAOYSA-N 0 1 472.950 4.729 40 10 JJCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408740832 570032008 /nfs/dbraw/zinc/03/20/08/570032008.db2.gz IKDIWHMURJPXCK-GDNBJRDFSA-N 0 1 488.308 4.993 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)cc1 ZINC000408740838 570032013 /nfs/dbraw/zinc/03/20/13/570032013.db2.gz IKUJUSBEUUAJJR-PDGQHHTCSA-N 0 1 467.344 4.849 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408758996 570036332 /nfs/dbraw/zinc/03/63/32/570036332.db2.gz WGHDVNJKDOQORF-LFVJCYFKSA-N 0 1 473.598 4.887 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000408759271 570036459 /nfs/dbraw/zinc/03/64/59/570036459.db2.gz AZFMOKNQNWDNQF-HZHRSRAPSA-N 0 1 459.571 4.633 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1Br ZINC000408854519 570056136 /nfs/dbraw/zinc/05/61/36/570056136.db2.gz HGSYRSPILJPRAZ-CSKARUKUSA-N 0 1 456.148 4.587 40 10 JJCBMN Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1 ZINC000408855570 570056420 /nfs/dbraw/zinc/05/64/20/570056420.db2.gz GETUPOFUSFXTNT-SFQUDFHCSA-N 0 1 498.377 4.827 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1 ZINC000408867645 570058600 /nfs/dbraw/zinc/05/86/00/570058600.db2.gz LAZKBLPPVNWTGU-MOSHPQCFSA-N 0 1 450.922 4.901 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Cl ZINC000408872356 570060054 /nfs/dbraw/zinc/06/00/54/570060054.db2.gz LPFRVOVOGAZFGJ-MOSHPQCFSA-N 0 1 462.958 4.771 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408878413 570061982 /nfs/dbraw/zinc/06/19/82/570061982.db2.gz BDSXDQQVMAGYRY-MOSHPQCFSA-N 0 1 466.921 4.889 40 10 JJCBMN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1 ZINC000408903328 570069842 /nfs/dbraw/zinc/06/98/42/570069842.db2.gz XHDPXERILLJSPB-NTUHNPAUSA-N 0 1 483.103 4.565 40 10 JJCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408919024 570076368 /nfs/dbraw/zinc/07/63/68/570076368.db2.gz RSDSQCJRNNQHRL-BKUYFWCQSA-N 0 1 473.504 4.799 40 10 JJCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)NC1=S ZINC000408959831 570085366 /nfs/dbraw/zinc/08/53/66/570085366.db2.gz GPBSOQCDLAAXMC-XMHGGMMESA-N 0 1 484.419 4.579 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408966887 570087732 /nfs/dbraw/zinc/08/77/32/570087732.db2.gz OQUJSRURRLNUNC-GIJQJNRQSA-N 0 1 498.923 4.626 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2cc(C)ccc2C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408988487 570093274 /nfs/dbraw/zinc/09/32/74/570093274.db2.gz ICHPRFYLYRTAKF-DEOSSOPVSA-N 0 1 480.634 4.579 40 10 JJCBMN C=C1N=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408993924 570095050 /nfs/dbraw/zinc/09/50/50/570095050.db2.gz XOCVHBIKHUEFEB-DEOSSOPVSA-N 0 1 480.634 4.579 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)NC2=S)cc1 ZINC000409008772 570098881 /nfs/dbraw/zinc/09/88/81/570098881.db2.gz GTKMKDUDSKLPHC-UDWIEESQSA-N 0 1 495.988 4.596 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)cc1C ZINC000409018825 570102280 /nfs/dbraw/zinc/10/22/80/570102280.db2.gz ZKXIIGIOQLRKKP-DEDYPNTBSA-N 0 1 480.387 4.688 40 10 JJCBMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409066250 570116541 /nfs/dbraw/zinc/11/65/41/570116541.db2.gz KPXPUIDMKFOSRU-GXDHUFHOSA-N 0 1 479.783 4.641 40 10 JJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000409066844 570116785 /nfs/dbraw/zinc/11/67/85/570116785.db2.gz MNUTWCIIFUOGSO-LFIBNONCSA-N 0 1 467.890 4.648 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC ZINC000409101456 570128562 /nfs/dbraw/zinc/12/85/62/570128562.db2.gz YITHMWQHVCTZPJ-MDWZMJQESA-N 0 1 465.358 4.540 40 10 JJCBMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1 ZINC000409104567 570129609 /nfs/dbraw/zinc/12/96/09/570129609.db2.gz FVESJORQMVLXBQ-LDADJPATSA-N 0 1 464.930 4.942 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC(C)C ZINC000409127697 570138697 /nfs/dbraw/zinc/13/86/97/570138697.db2.gz QXZHPKGLENCPLF-CXUHLZMHSA-N 0 1 458.967 4.584 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(C)c1 ZINC000409128203 570138939 /nfs/dbraw/zinc/13/89/39/570138939.db2.gz DWWULTHEGRIPCU-WJDWOHSUSA-N 0 1 481.917 4.956 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)c(C)c1 ZINC000409131151 570140109 /nfs/dbraw/zinc/14/01/09/570140109.db2.gz MDRDIPSJERHJQT-GZTJUZNOSA-N 0 1 481.917 4.956 40 10 JJCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OCc1ccccc1 ZINC000409143321 570145659 /nfs/dbraw/zinc/14/56/59/570145659.db2.gz MXLPHGMKRYODDS-KGENOOAVSA-N 0 1 472.566 4.722 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C(=O)NC1=S ZINC000409173146 570155724 /nfs/dbraw/zinc/15/57/24/570155724.db2.gz KZVLVRPHSPJCCU-GHRIWEEISA-N 0 1 450.541 4.579 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C(=O)NC1=S ZINC000409174721 570156297 /nfs/dbraw/zinc/15/62/97/570156297.db2.gz UJRHWCBERADPLL-XSFVSMFZSA-N 0 1 459.571 4.551 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1 ZINC000409220905 570174268 /nfs/dbraw/zinc/17/42/68/570174268.db2.gz HNWKZENNDBBNEH-XSFVSMFZSA-N 0 1 474.538 4.571 40 10 JJCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000409222013 570174862 /nfs/dbraw/zinc/17/48/62/570174862.db2.gz AXUXUSDYZOHLAW-UYRXBGFRSA-N 0 1 461.499 4.810 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)cc1Cl ZINC000409232336 570178302 /nfs/dbraw/zinc/17/83/02/570178302.db2.gz QCFCGXFOISQBRU-WOJGMQOQSA-N 0 1 457.958 4.609 40 10 JJCBMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000409238154 570180730 /nfs/dbraw/zinc/18/07/30/570180730.db2.gz CNQUABCBGZQEME-XDHOZWIPSA-N 0 1 484.455 4.999 40 10 JJCBMN COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c1 ZINC000409239381 570181302 /nfs/dbraw/zinc/18/13/02/570181302.db2.gz PSQYMGZGLLASAU-XKZIYDEJSA-N 0 1 459.571 4.551 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409242254 570182462 /nfs/dbraw/zinc/18/24/62/570182462.db2.gz WJGPLKILFMQCQF-FYJGNVAPSA-N 0 1 488.569 4.759 40 10 JJCBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2c1 ZINC000409243912 570183243 /nfs/dbraw/zinc/18/32/43/570183243.db2.gz YWXXWEOKLQEQKB-XDHOZWIPSA-N 0 1 466.946 4.650 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409245548 570183979 /nfs/dbraw/zinc/18/39/79/570183979.db2.gz VQDOACIJYSZJKC-JCMHNJIXSA-N 0 1 455.514 4.660 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1 ZINC000409246530 570184397 /nfs/dbraw/zinc/18/43/97/570184397.db2.gz CKSJXFIEPHBSFK-HAHDFKILSA-N 0 1 469.541 4.968 40 10 JJCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000409249198 570185323 /nfs/dbraw/zinc/18/53/23/570185323.db2.gz MUWBUTLHSAZDIB-DEDYPNTBSA-N 0 1 461.499 4.810 40 10 JJCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 ZINC000001084445 194021225 /nfs/dbraw/zinc/02/12/25/194021225.db2.gz BHIHNPJLGYSNNV-XSFVSMFZSA-N 0 1 473.460 4.955 40 10 JJCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)N(CC)C3=O)c1C)CCCC2 ZINC000001151806 194051040 /nfs/dbraw/zinc/05/10/40/194051040.db2.gz OJJIAZHICCLGSO-SFQUDFHCSA-N 0 1 469.563 4.533 40 10 JJCBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 ZINC000059135829 195390717 /nfs/dbraw/zinc/39/07/17/195390717.db2.gz CUAUPBMGIYTQPH-RVDMUPIBSA-N 0 1 467.434 4.674 40 10 JJCBMN CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl ZINC000059136060 195391013 /nfs/dbraw/zinc/39/10/13/195391013.db2.gz UANPIVUIGQISJG-KPKJPENVSA-N 0 1 497.331 4.746 40 10 JJCBMN COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 ZINC000059135946 195391095 /nfs/dbraw/zinc/39/10/95/195391095.db2.gz KCFBXHBFHDOZRU-CPNJWEJPSA-N 0 1 477.517 4.691 40 10 JJCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OC ZINC000059136305 195391522 /nfs/dbraw/zinc/39/15/22/195391522.db2.gz VVXZDBVYFIWFSZ-XYOKQWHBSA-N 0 1 479.327 4.667 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059136428 195391783 /nfs/dbraw/zinc/39/17/83/195391783.db2.gz WEGCFAKGCJHWMI-QGOAFFKASA-N 0 1 477.473 4.985 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409231152 195506304 /nfs/dbraw/zinc/50/63/04/195506304.db2.gz IHAFZTOTSWAYIE-FOWTUZBSSA-N 0 1 486.778 4.725 40 10 JJCBMN Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000096300977 130053878 /nfs/dbraw/zinc/05/38/78/130053878.db2.gz KKZZRLDIQPDTSC-UHFFFAOYSA-N 0 1 472.371 4.641 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 ZINC000033319872 521460173 /nfs/dbraw/zinc/46/01/73/521460173.db2.gz YNUQWGWEKXAHHQ-CPNJWEJPSA-N 0 1 450.878 4.547 40 10 JJCBMN COc1ccc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br ZINC000016576063 523417429 /nfs/dbraw/zinc/41/74/29/523417429.db2.gz UXYAUTRWDUVSMA-WLUJYDQBSA-N 0 1 487.394 4.524 40 10 JJCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033417734 526086500 /nfs/dbraw/zinc/08/65/00/526086500.db2.gz KQPGNFVVUOWKAT-RQZCQDPDSA-N 0 1 468.853 4.751 40 10 JJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)NC1=S ZINC000009262604 555037545 /nfs/dbraw/zinc/03/75/45/555037545.db2.gz ONKCJGWBOSTKME-AUWJEWJLSA-N 0 1 474.767 4.724 40 10 JJCBMN COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O ZINC000013804487 555622591 /nfs/dbraw/zinc/62/25/91/555622591.db2.gz YRJJLAGRSUMRBJ-ONTIZHBOSA-N 0 1 485.323 4.759 40 10 JJCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000017838224 556268396 /nfs/dbraw/zinc/26/83/96/556268396.db2.gz HTWFYLIVGNAONG-VJBWXMMDSA-N 0 1 465.912 4.596 40 10 JJCBMN O=C1[C@@H]2[C@H](c3cc(Cl)cc(Cl)c3O)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000018083920 556285203 /nfs/dbraw/zinc/28/52/03/556285203.db2.gz RZOPRTLUUCKVMN-URVUXULASA-N 0 1 469.324 4.746 40 10 JJCBMN Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)n1 ZINC000018252458 556316703 /nfs/dbraw/zinc/31/67/03/556316703.db2.gz NEKGPXIAACPVOJ-FUEWEDNTSA-N 0 1 488.537 4.976 40 10 JJCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 ZINC000033586441 569628342 /nfs/dbraw/zinc/62/83/42/569628342.db2.gz HOFCRNYZDPMVGX-NDENLUEZSA-N 0 1 452.869 4.528 40 10 JJCBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 ZINC000035153400 569676331 /nfs/dbraw/zinc/67/63/31/569676331.db2.gz VCKZIEMJQWQPDM-UDWIEESQSA-N 0 1 497.320 4.637 40 10 JJCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000035419624 569692241 /nfs/dbraw/zinc/69/22/41/569692241.db2.gz OSTMVWDBUSIEFN-UNOMPAQXSA-N 0 1 467.294 4.629 40 10 JJCBMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1cccc(C)c1 ZINC000041076796 569835235 /nfs/dbraw/zinc/83/52/35/569835235.db2.gz HYIQAHNNTPBWEZ-KGENOOAVSA-N 0 1 476.485 4.557 40 10 JJCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc21 ZINC000107931199 569857977 /nfs/dbraw/zinc/85/79/77/569857977.db2.gz CAAJVIBCONZHRN-JJIBRWJFSA-N 0 1 450.494 4.889 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000107931613 569857984 /nfs/dbraw/zinc/85/79/84/569857984.db2.gz WWKSVKYOYNRWBQ-JLPGSUDCSA-N 0 1 454.526 4.773 40 10 JJCBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000108026843 569858347 /nfs/dbraw/zinc/85/83/47/569858347.db2.gz SBNDXOMMZIJRNU-FBJMNJBLSA-N 0 1 472.994 4.974 40 10 JJCBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000113833798 569862131 /nfs/dbraw/zinc/86/21/31/569862131.db2.gz XDPPEJJGBNOCPK-LFVJCYFKSA-N 0 1 450.494 4.889 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 ZINC000208233435 569875146 /nfs/dbraw/zinc/87/51/46/569875146.db2.gz RDMKXKQZQZBPPN-REIAIGDLSA-N 0 1 463.603 4.557 40 10 JJCBMN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21 ZINC000208445007 569875441 /nfs/dbraw/zinc/87/54/41/569875441.db2.gz LUEGDUSNCOOXBO-YBFXNURJSA-N 0 1 451.979 4.803 40 10 JJCBMN CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208444425 569875494 /nfs/dbraw/zinc/87/54/94/569875494.db2.gz BACBXBKNGMIXOC-XDHOZWIPSA-N 0 1 496.430 4.912 40 10 JJCBMN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 ZINC000223458388 569911946 /nfs/dbraw/zinc/91/19/46/569911946.db2.gz HJLHPJFSTTYQSM-UHFFFAOYSA-N 0 1 468.962 4.671 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408694601 570017149 /nfs/dbraw/zinc/01/71/49/570017149.db2.gz KOFVZTPHGWARKR-HZHRSRAPSA-N 0 1 485.496 4.731 40 10 JJCBMN CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000408739887 570031648 /nfs/dbraw/zinc/03/16/48/570031648.db2.gz BKWASPJCFOLFSI-UYRXBGFRSA-N 0 1 481.371 4.832 40 10 JJCBMN COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CC2)cc1 ZINC000226069857 570035570 /nfs/dbraw/zinc/03/55/70/570035570.db2.gz SFGZZUFFYQCPGT-SANMLTNESA-N 0 1 498.708 4.988 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408781260 570041685 /nfs/dbraw/zinc/04/16/85/570041685.db2.gz BBAWGPRIYDWYNK-DEDYPNTBSA-N 0 1 494.414 4.996 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccnc1 ZINC000408785688 570042891 /nfs/dbraw/zinc/04/28/91/570042891.db2.gz ASQKOCGOFQCJJT-MHWRWJLKSA-N 0 1 471.369 4.627 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408810285 570048866 /nfs/dbraw/zinc/04/88/66/570048866.db2.gz IOPDUBTVTGYCPR-WOJGMQOQSA-N 0 1 453.926 4.718 40 10 JJCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000408850826 570055374 /nfs/dbraw/zinc/05/53/74/570055374.db2.gz RSPLTALWHJJEOZ-XSFVSMFZSA-N 0 1 480.387 4.634 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC(C)C ZINC000408856372 570056496 /nfs/dbraw/zinc/05/64/96/570056496.db2.gz HUZDUUDOPWZQIF-UKTHLTGXSA-N 0 1 465.358 4.621 40 10 JJCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408866486 570058209 /nfs/dbraw/zinc/05/82/09/570058209.db2.gz GXEUNEKXJSVQFE-UCQKPKSFSA-N 0 1 472.566 4.722 40 10 JJCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2cc(C)cc(C)c2)c1 ZINC000408867491 570058499 /nfs/dbraw/zinc/05/84/99/570058499.db2.gz LDJPNXLNBZTKAL-JLPGSUDCSA-N 0 1 456.567 4.734 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408869947 570059265 /nfs/dbraw/zinc/05/92/65/570059265.db2.gz RHTXKOIXNLNVKC-STZFKDTASA-N 0 1 493.382 4.859 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408874654 570060713 /nfs/dbraw/zinc/06/07/13/570060713.db2.gz DPLYHSVMKARJQR-MOSHPQCFSA-N 0 1 466.921 4.889 40 10 JJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408884808 570064145 /nfs/dbraw/zinc/06/41/45/570064145.db2.gz ZYSHUQRZZJGFNC-NDENLUEZSA-N 0 1 480.948 4.910 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408960423 570085606 /nfs/dbraw/zinc/08/56/06/570085606.db2.gz LPSXOUVZKWUREB-DTQAZKPQSA-N 0 1 460.386 4.815 40 10 JJCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c(C)c1 ZINC000408964433 570087000 /nfs/dbraw/zinc/08/70/00/570087000.db2.gz CHDPBDSNJWPNOZ-GZTJUZNOSA-N 0 1 498.919 4.665 40 10 JJCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000408965937 570087383 /nfs/dbraw/zinc/08/73/83/570087383.db2.gz KHMWQORKMGACIB-XNTDXEJSSA-N 0 1 485.880 4.787 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966485 570087603 /nfs/dbraw/zinc/08/76/03/570087603.db2.gz MWTAGLREUFHGIU-HZHRSRAPSA-N 0 1 466.566 4.782 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000408966907 570087747 /nfs/dbraw/zinc/08/77/47/570087747.db2.gz OXAGRCAHKQZISH-VCHYOVAHSA-N 0 1 471.916 4.857 40 10 JJCBMN CCOc1ccc(C(=O)c2coc3ccc([O-])c(C[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)c23)cc1 ZINC000257198714 570107391 /nfs/dbraw/zinc/10/73/91/570107391.db2.gz GZFKKTCWSLXKFK-AZUAARDMSA-N 0 1 484.552 4.549 40 10 JJCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409071905 570118656 /nfs/dbraw/zinc/11/86/56/570118656.db2.gz SSGFQCVZLOGQHN-UKTHLTGXSA-N 0 1 479.783 4.641 40 10 JJCBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409094041 570125908 /nfs/dbraw/zinc/12/59/08/570125908.db2.gz CLXGDVWOCAXELK-GZTJUZNOSA-N 0 1 481.917 4.956 40 10 JJCBMN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409100621 570128254 /nfs/dbraw/zinc/12/82/54/570128254.db2.gz QUFQHJZHAIZDQU-WASCAKKMSA-N 0 1 490.581 4.866 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c(C)c1 ZINC000409123633 570136878 /nfs/dbraw/zinc/13/68/78/570136878.db2.gz HUDOTTYFQREZLW-CPNJWEJPSA-N 0 1 469.488 4.944 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1 ZINC000409123754 570136996 /nfs/dbraw/zinc/13/69/96/570136996.db2.gz IMZLEIAXRKWXRA-XSFVSMFZSA-N 0 1 474.538 4.571 40 10 JJCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c1C ZINC000409137981 570143120 /nfs/dbraw/zinc/14/31/20/570143120.db2.gz XWLGRUDQRXESIY-GZTJUZNOSA-N 0 1 481.917 4.956 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140260 570144255 /nfs/dbraw/zinc/14/42/55/570144255.db2.gz QPZKNJWZWQJUCT-CIAFOILYSA-N 0 1 488.569 4.759 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409148210 570148056 /nfs/dbraw/zinc/14/80/56/570148056.db2.gz PABXCEQEHYGCCE-HZHRSRAPSA-N 0 1 472.614 4.608 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000409205482 570167006 /nfs/dbraw/zinc/16/70/06/570167006.db2.gz NRQMUUHGTNCUHY-HKWRFOASSA-N 0 1 477.948 4.778 40 10 JJCBMN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409206092 570167253 /nfs/dbraw/zinc/16/72/53/570167253.db2.gz HOEFGMNZPQCQMZ-NVNXTCNLSA-N 0 1 481.349 4.867 40 10 JJCBMN 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/nfs/dbraw/zinc/10/29/43/570102943.db2.gz UHYOIUJEELHQKS-DEDYPNTBSA-N 0 1 465.962 4.669 40 10 JJCBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cccc1OC ZINC000409075433 570119832 /nfs/dbraw/zinc/11/98/32/570119832.db2.gz VLYOVAWUMIXFRP-MLDYKZIASA-N 0 1 458.967 4.666 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409095843 570126536 /nfs/dbraw/zinc/12/65/36/570126536.db2.gz DMMUJAHUBPWWJL-LDADJPATSA-N 0 1 495.988 4.596 40 10 JJCBMN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409100620 570128282 /nfs/dbraw/zinc/12/82/82/570128282.db2.gz QUFQHJZHAIZDQU-GXPOEHQZSA-N 0 1 490.581 4.866 40 10 JJCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409107165 570130716 /nfs/dbraw/zinc/13/07/16/570130716.db2.gz VMDZHYXORNRXGH-KWWJGWKXSA-N 0 1 458.967 4.666 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Cl)cc1OC ZINC000409115112 570133760 /nfs/dbraw/zinc/13/37/60/570133760.db2.gz 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485.540 4.669 40 10 JJCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)NC1=S ZINC000409174638 570156291 /nfs/dbraw/zinc/15/62/91/570156291.db2.gz WBIFCANWLYCWPK-FOWTUZBSSA-N 0 1 472.444 4.805 40 10 JJCBMN Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1C ZINC000409206278 570167269 /nfs/dbraw/zinc/16/72/69/570167269.db2.gz SQNQBYKIVOLZFZ-JLPGSUDCSA-N 0 1 471.557 4.742 40 10 JJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)c1 ZINC000409221319 570174558 /nfs/dbraw/zinc/17/45/58/570174558.db2.gz OLYVBADSFSEWJT-GZTJUZNOSA-N 0 1 481.917 4.956 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC ZINC000409224463 570175592 /nfs/dbraw/zinc/17/55/92/570175592.db2.gz KGGNTEIFBXLNPT-OVCLIPMQSA-N 0 1 479.385 4.931 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OC ZINC000409227914 570176490 /nfs/dbraw/zinc/17/64/90/570176490.db2.gz XHPYWRIORAVPJY-VGOFMYFVSA-N 0 1 484.883 4.597 40 10 JJCBMN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409232446 570178294 /nfs/dbraw/zinc/17/82/94/570178294.db2.gz HULWLOONVFFHFK-QGOAFFKASA-N 0 1 455.461 4.636 40 10 JJCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000409234244 570179070 /nfs/dbraw/zinc/17/90/70/570179070.db2.gz JKKSDBGALOORPJ-PTNGSMBKSA-N 0 1 467.890 4.648 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)cc1Cl ZINC000409236942 570180068 /nfs/dbraw/zinc/18/00/68/570180068.db2.gz IJYNTBWFSOPJEX-GZTJUZNOSA-N 0 1 457.958 4.609 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Cl)cc1OC ZINC000409236854 570180072 /nfs/dbraw/zinc/18/00/72/570180072.db2.gz GIDBVDKPNZFMIA-VGOFMYFVSA-N 0 1 484.883 4.597 40 10 JJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 ZINC000409238656 570180872 /nfs/dbraw/zinc/18/08/72/570180872.db2.gz FEWUKMCRDYYRRG-CPNJWEJPSA-N 0 1 480.387 4.688 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409239150 570181172 /nfs/dbraw/zinc/18/11/72/570181172.db2.gz GRCLENRLALGCSL-ZHZULCJRSA-N 0 1 473.504 4.799 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409242384 570182523 /nfs/dbraw/zinc/18/25/23/570182523.db2.gz ROWSFNOFPOIYAR-OEAKJJBVSA-N 0 1 459.571 4.754 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1Cl ZINC000409246918 570184558 /nfs/dbraw/zinc/18/45/58/570184558.db2.gz KZSQMZGAEZGURP-WOJGMQOQSA-N 0 1 456.354 4.924 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1Cl ZINC000409248231 570184953 /nfs/dbraw/zinc/18/49/53/570184953.db2.gz GZQDTTRTCYLZCO-BOPFTXTBSA-N 0 1 467.890 4.648 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Br)cc1O ZINC000409249291 570185301 /nfs/dbraw/zinc/18/53/01/570185301.db2.gz SXBFRCATCCAWLS-CXUHLZMHSA-N 0 1 489.391 4.508 40 10 JJCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C ZINC000409251850 570186070 /nfs/dbraw/zinc/18/60/70/570186070.db2.gz QNJZUCDQNCCJRK-DEDYPNTBSA-N 0 1 469.488 4.944 40 10 JJCBMN CN(C)c1oc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000059104674 195388050 /nfs/dbraw/zinc/38/80/50/195388050.db2.gz WSPKPHQYFOBICZ-KPKJPENVSA-N 0 1 499.184 4.542 40 10 JJCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000059198501 195395012 /nfs/dbraw/zinc/39/50/12/195395012.db2.gz GWMGFJULJZRHHY-MDWZMJQESA-N 0 1 496.180 4.892 40 10 JJCBMN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000002423791 554199887 /nfs/dbraw/zinc/19/98/87/554199887.db2.gz ATAIQLAAFSDANW-MYKRZTLLSA-N 0 1 465.638 4.848 40 10 JJCBMN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008819687 554705681 /nfs/dbraw/zinc/70/56/81/554705681.db2.gz UJSCHOCEACCRSN-UYRXBGFRSA-N 0 1 471.560 4.701 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009260327 555034680 /nfs/dbraw/zinc/03/46/80/555034680.db2.gz DJCGTIHUFOKNBQ-IWIPYMOSSA-N 0 1 481.577 4.838 40 10 JJCBMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)cc1 ZINC000010112171 555625089 /nfs/dbraw/zinc/62/50/89/555625089.db2.gz XTBAZSXYIADJOQ-UHFFFAOYSA-N 0 1 484.021 4.979 40 10 JJCBMN COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc([N+](=O)[O-])c1O ZINC000059485031 569605236 /nfs/dbraw/zinc/60/52/36/569605236.db2.gz TZZBGLMGCGXKBE-UHFFFAOYSA-N 0 1 487.468 4.509 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059595453 569607088 /nfs/dbraw/zinc/60/70/88/569607088.db2.gz KVGCCIQUJOOBJU-LPYMAVHISA-N 0 1 489.597 4.559 40 10 JJCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000033661323 569630106 /nfs/dbraw/zinc/63/01/06/569630106.db2.gz AOFFKQRSUCPYNP-NDENLUEZSA-N 0 1 493.357 4.807 40 10 JJCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000035043960 569673945 /nfs/dbraw/zinc/67/39/45/569673945.db2.gz CZZSDVPCKLTNAL-JLPGSUDCSA-N 0 1 499.523 4.762 40 10 JJCBMN Nc1nc(N)c(/N=N\c2ccccc2)cc1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000104090932 569840820 /nfs/dbraw/zinc/84/08/20/569840820.db2.gz PAQABCKKWSEBTJ-JOKXDOCYSA-N 0 1 474.510 4.668 40 10 JJCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000107761861 569857300 /nfs/dbraw/zinc/85/73/00/569857300.db2.gz XCCPYSPLJMLLIB-BUVRLJJBSA-N 0 1 452.466 4.674 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)o2)cc1 ZINC000108011006 569858298 /nfs/dbraw/zinc/85/82/98/569858298.db2.gz LLXXTWORRHYIFK-RCCKNPSSSA-N 0 1 474.538 4.517 40 10 JJCBMN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21 ZINC000208195281 569874926 /nfs/dbraw/zinc/87/49/26/569874926.db2.gz GSYKSWHYRSFLAG-BXUJETTOSA-N 0 1 453.995 4.893 40 10 JJCBMN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21 ZINC000208195242 569874944 /nfs/dbraw/zinc/87/49/44/569874944.db2.gz GSYKSWHYRSFLAG-ONDHQXCVSA-N 0 1 453.995 4.893 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000220993988 569883637 /nfs/dbraw/zinc/88/36/37/569883637.db2.gz XJOYTOUNPTUVEE-PXLXIMEGSA-N 0 1 472.566 4.804 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408692017 570015161 /nfs/dbraw/zinc/01/51/61/570015161.db2.gz BJYSGKPZGRONIC-YBFXNURJSA-N 0 1 459.329 4.977 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408692913 570015671 /nfs/dbraw/zinc/01/56/71/570015671.db2.gz YHNGCWGBOVLDRY-GXDHUFHOSA-N 0 1 463.715 4.767 40 10 JJCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408740806 570032031 /nfs/dbraw/zinc/03/20/31/570032031.db2.gz IDZJPAXZOGPILD-BKUYFWCQSA-N 0 1 494.414 4.996 40 10 JJCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408742357 570032530 /nfs/dbraw/zinc/03/25/30/570032530.db2.gz QTLBAWUDOZVWFR-FYJGNVAPSA-N 0 1 493.382 4.859 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c1 ZINC000408742567 570032702 /nfs/dbraw/zinc/03/27/02/570032702.db2.gz RSPUEKANAULFAR-ZVHZXABRSA-N 0 1 473.598 4.941 40 10 JJCBMN CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=O)NC3=O)c2-c2ccccc2)cc1 ZINC000408743003 570032845 /nfs/dbraw/zinc/03/28/45/570032845.db2.gz RGAFYCRRHIGNPJ-UHFFFAOYSA-N 0 1 477.520 4.959 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000408757115 570035822 /nfs/dbraw/zinc/03/58/22/570035822.db2.gz ZXQIVVQDTIHOND-CIAFOILYSA-N 0 1 465.962 4.587 40 10 JJCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)NC2=S)c1 ZINC000408758525 570036220 /nfs/dbraw/zinc/03/62/20/570036220.db2.gz LTZSRAULSBWDCI-BUVRLJJBSA-N 0 1 473.598 4.887 40 10 JJCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2c1 ZINC000408772328 570039185 /nfs/dbraw/zinc/03/91/85/570039185.db2.gz KRNFRDGFBCYIMZ-PXLXIMEGSA-N 0 1 460.555 4.777 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c(C)c1 ZINC000408779927 570041243 /nfs/dbraw/zinc/04/12/43/570041243.db2.gz NRUSZKBOJTUBON-FOWTUZBSSA-N 0 1 474.567 4.755 40 10 JJCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2c1 ZINC000408787141 570043477 /nfs/dbraw/zinc/04/34/77/570043477.db2.gz SGTFXDIBVPQKPD-RCCKNPSSSA-N 0 1 460.555 4.777 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1C1CCCC1 ZINC000408789945 570043850 /nfs/dbraw/zinc/04/38/50/570043850.db2.gz OUOKVPOZRUFSDN-YBFXNURJSA-N 0 1 472.408 4.814 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408867802 570058576 /nfs/dbraw/zinc/05/85/76/570058576.db2.gz LUWVKADRCOTKCK-MOSHPQCFSA-N 0 1 493.928 4.659 40 10 JJCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408871065 570059706 /nfs/dbraw/zinc/05/97/06/570059706.db2.gz VTMVNJUKYPXJLN-UNOMPAQXSA-N 0 1 478.957 4.759 40 10 JJCBMN 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C=C1N=C(SCC(=O)Nc2ccc(C)cc2C)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408993171 570094691 /nfs/dbraw/zinc/09/46/91/570094691.db2.gz VNSCQRNXNMJKHZ-XMMPIXPASA-N 0 1 480.634 4.579 40 10 JJCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C ZINC000409023552 570103697 /nfs/dbraw/zinc/10/36/97/570103697.db2.gz YSBVKAPBSFLMRQ-LPYMAVHISA-N 0 1 461.562 4.935 40 10 JJCBMN O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000409044317 570108273 /nfs/dbraw/zinc/10/82/73/570108273.db2.gz BUWTXEBHORGEFY-UHFFFAOYSA-N 0 1 460.100 4.629 40 10 JJCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S ZINC000409097351 570127248 /nfs/dbraw/zinc/12/72/48/570127248.db2.gz NAONKPYAIPPYTR-SFQUDFHCSA-N 0 1 456.354 4.924 40 10 JJCBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409097968 570127418 /nfs/dbraw/zinc/12/74/18/570127418.db2.gz HWQPQYVWLQTSOB-LFIBNONCSA-N 0 1 497.916 4.657 40 10 JJCBMN 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CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537131 569915009 /nfs/dbraw/zinc/91/50/09/569915009.db2.gz FBQHDEZLPGHQJV-YIRPMMGJSA-N 0 1 463.603 4.639 40 10 JJCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408692959 570015790 /nfs/dbraw/zinc/01/57/90/570015790.db2.gz ZHFOCWYOGYTUKI-VCHYOVAHSA-N 0 1 489.355 4.985 40 10 JJCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408694836 570017279 /nfs/dbraw/zinc/01/72/79/570017279.db2.gz NALGZPATCSSZKC-HZHRSRAPSA-N 0 1 458.489 4.962 40 10 JJCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1 ZINC000408783799 570042438 /nfs/dbraw/zinc/04/24/38/570042438.db2.gz MZKSZCTVWAINJQ-GHRIWEEISA-N 0 1 490.566 4.537 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)C(=O)NC2=S)cc1 ZINC000408810735 570049105 /nfs/dbraw/zinc/04/91/05/570049105.db2.gz KKTIJHLPHWCZHO-KGENOOAVSA-N 0 1 478.957 4.759 40 10 JJCBMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408855693 570056383 /nfs/dbraw/zinc/05/63/83/570056383.db2.gz GMQGHOSGJCNOIB-DHZHZOJOSA-N 0 1 499.217 4.653 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408868484 570058765 /nfs/dbraw/zinc/05/87/65/570058765.db2.gz OZZIVBLSPGZBAE-UYRXBGFRSA-N 0 1 493.382 4.859 40 10 JJCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408868990 570058874 /nfs/dbraw/zinc/05/88/74/570058874.db2.gz QEBWNMNPSMNDOR-JCMHNJIXSA-N 0 1 472.566 4.804 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(C)C ZINC000408991230 570094115 /nfs/dbraw/zinc/09/41/15/570094115.db2.gz PWHWWFDDCWXHPH-UDWIEESQSA-N 0 1 452.576 4.568 40 10 JJCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3s2)o1 ZINC000408994255 570095041 /nfs/dbraw/zinc/09/50/41/570095041.db2.gz YOHZPKCNJMUKIO-NTCAYCPXSA-N 0 1 463.565 4.872 40 10 JJCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000409011810 570099800 /nfs/dbraw/zinc/09/98/00/570099800.db2.gz HUNCLBPZSNBKJM-OEAKJJBVSA-N 0 1 459.571 4.551 40 10 JJCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c1 ZINC000409014128 570100476 /nfs/dbraw/zinc/10/04/76/570100476.db2.gz OZSFTXYRZZPEOY-DEDYPNTBSA-N 0 1 480.387 4.688 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409064919 570115973 /nfs/dbraw/zinc/11/59/73/570115973.db2.gz JFNHAFBKNGCLIC-YBFXNURJSA-N 0 1 494.960 4.795 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409096008 570126706 /nfs/dbraw/zinc/12/67/06/570126706.db2.gz JBLDFZXYRWFQLQ-VCHYOVAHSA-N 0 1 493.972 4.616 40 10 JJCBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409099321 570127870 /nfs/dbraw/zinc/12/78/70/570127870.db2.gz LBEVEYSJUTXMNC-MDWZMJQESA-N 0 1 455.750 4.877 40 10 JJCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c(C)c1 ZINC000409146469 570147128 /nfs/dbraw/zinc/14/71/28/570147128.db2.gz SUXNETPBQQLGGH-MHWRWJLKSA-N 0 1 473.392 4.684 40 10 JJCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc43)C2=O)cc1OCC ZINC000409191495 570162140 /nfs/dbraw/zinc/16/21/40/570162140.db2.gz XKVBSLQEBXGJOA-CJLVFECKSA-N 0 1 488.540 4.698 40 10 JJCBMN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409216233 570172602 /nfs/dbraw/zinc/17/26/02/570172602.db2.gz GLDWHSLURWQBEP-LICLKQGHSA-N 0 1 471.541 4.771 40 10 JJCBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409221197 570174413 /nfs/dbraw/zinc/17/44/13/570174413.db2.gz MLQGDYPQDJQWDM-LICLKQGHSA-N 0 1 458.967 4.702 40 10 JJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000409227829 570176466 /nfs/dbraw/zinc/17/64/66/570176466.db2.gz RQYHNLBADAZMLH-GIDUJCDVSA-N 0 1 494.292 4.781 40 10 JJCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC(C)C ZINC000409227855 570176493 /nfs/dbraw/zinc/17/64/93/570176493.db2.gz SAZZEPSDQASLHR-LICLKQGHSA-N 0 1 472.994 4.974 40 10 JJCBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409228950 570176860 /nfs/dbraw/zinc/17/68/60/570176860.db2.gz HOLOYJNUWAJXNF-VGOFMYFVSA-N 0 1 484.883 4.597 40 10 JJCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 ZINC000409230574 570177549 /nfs/dbraw/zinc/17/75/49/570177549.db2.gz ZNAKFUQNNZORAP-CPNJWEJPSA-N 0 1 494.956 4.916 40 10 JJCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)cc1 ZINC000409233515 570178798 /nfs/dbraw/zinc/17/87/98/570178798.db2.gz SQGPNQMUAALZSQ-XSFVSMFZSA-N 0 1 451.567 4.771 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409235716 570179654 /nfs/dbraw/zinc/17/96/54/570179654.db2.gz PZODTBSSRNNKPI-LPYMAVHISA-N 0 1 493.032 4.953 40 10 JJCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c1 ZINC000409235938 570179772 /nfs/dbraw/zinc/17/97/72/570179772.db2.gz DIIIZKWTHDBSOS-XDHOZWIPSA-N 0 1 461.499 4.611 40 10 JJCBMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 ZINC000409237274 570180258 /nfs/dbraw/zinc/18/02/58/570180258.db2.gz HQWJYKAQQUXZSN-GZTJUZNOSA-N 0 1 497.916 4.657 40 10 JJCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000409241967 570182362 /nfs/dbraw/zinc/18/23/62/570182362.db2.gz SZSAEABMQHGGTR-GZTJUZNOSA-N 0 1 460.408 4.936 40 10 JJCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)c(C)c1 ZINC000409244251 570183383 /nfs/dbraw/zinc/18/33/83/570183383.db2.gz ACNZJNVZNBMXHH-SFQUDFHCSA-N 0 1 480.929 4.526 40 10 JJCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409245746 570184109 /nfs/dbraw/zinc/18/41/09/570184109.db2.gz YNORVZZYAXYHJN-RGVLZGJSSA-N 0 1 485.487 4.650 40 10 JJCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000409249770 570185466 /nfs/dbraw/zinc/18/54/66/570185466.db2.gz VNMIFAAXBPFVJB-FOWTUZBSSA-N 0 1 490.412 4.824 40 10 JJCBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000409253241 570186324 /nfs/dbraw/zinc/18/63/24/570186324.db2.gz ZFWPJJVMTYMWHL-DEDYPNTBSA-N 0 1 491.525 4.818 40 10 JJCBMN O=C(NN1C(=O)/C(=C\c2cccc(OCCOc3ccccc3)c2)SC1=S)c1cccs1 ZINC000409329445 570203409 /nfs/dbraw/zinc/20/34/09/570203409.db2.gz FYKYNOPIOSXWAS-HMMYKYKNSA-N 0 1 482.608 4.752 40 10 JJCBMN O=C(NN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S)c1cccs1 ZINC000409329873 570203703 /nfs/dbraw/zinc/20/37/03/570203703.db2.gz ICHRVBXSQZIILT-NSIKDUERSA-N 0 1 464.391 4.538 40 10 JJCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)N1CCCC1 ZINC000408584805 570207796 /nfs/dbraw/zinc/20/77/96/570207796.db2.gz VJBSYTXCPNHHIW-UHFFFAOYSA-N 0 1 483.977 5.000 40 10 JJCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(C)=O ZINC000408585044 570207832 /nfs/dbraw/zinc/20/78/32/570207832.db2.gz BBIBPCIOMNYFDE-UHFFFAOYSA-N 0 1 472.950 4.729 40 10 JJCBMN