smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OC ZINC000096193392 1069688938 /nfs/dbraw/zinc/68/89/38/1069688938.db2.gz JLDYRIFLFDDHHH-NVNXTCNLSA-N -1 0 507.768 5.404 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1OCCc1ccccc1 ZINC000096193316 1069689033 /nfs/dbraw/zinc/68/90/33/1069689033.db2.gz WWADJZQBNMBANY-JCMHNJIXSA-N -1 0 504.970 5.865 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000102687011 1069706594 /nfs/dbraw/zinc/70/65/94/1069706594.db2.gz DUDNPRSKLCASPL-PCLIKHOPSA-N -1 0 559.644 5.933 40 10 KKCBRM CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1Cl ZINC000102686414 1069706673 /nfs/dbraw/zinc/70/66/73/1069706673.db2.gz UETHOCIDWGYLHA-DEDYPNTBSA-N -1 0 514.028 5.267 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)SC1=S ZINC000102687177 1069707161 /nfs/dbraw/zinc/70/71/61/1069707161.db2.gz ONAPTVCMZBLGKT-KOEQRZSOSA-N -1 0 541.654 5.794 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000108423021 1069717695 /nfs/dbraw/zinc/71/76/95/1069717695.db2.gz UGIRFRWCJSZMFX-GRSHGNNSSA-N -1 0 604.284 7.238 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(I)c1OC(C)C ZINC000108422872 1069716699 /nfs/dbraw/zinc/71/66/99/1069716699.db2.gz SORQBLFZKKMTOY-CHHVJCJISA-N -1 0 554.768 5.245 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408783375 1069740765 /nfs/dbraw/zinc/74/07/65/1069740765.db2.gz KTXQMJQSCWMTFS-STBIYBPSSA-N -1 0 630.564 6.666 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408809240 1069741603 /nfs/dbraw/zinc/74/16/03/1069741603.db2.gz KUGPYZZRNDUZSG-YBFXNURJSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408809409 1069741627 /nfs/dbraw/zinc/74/16/27/1069741627.db2.gz RMZWNJBRCVAQRZ-JVWAILMASA-N -1 0 601.030 6.702 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4C)C3=O)cc2Br)cc1 ZINC000408808678 1069742373 /nfs/dbraw/zinc/74/23/73/1069742373.db2.gz JZFFASJIHBWMPF-FYJGNVAPSA-N -1 0 519.395 5.620 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Cl)cc1 ZINC000408896656 1069752089 /nfs/dbraw/zinc/75/20/89/1069752089.db2.gz GXWPCSNYNVXBBK-UNOMPAQXSA-N -1 0 589.851 5.153 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090274 1069774447 /nfs/dbraw/zinc/77/44/47/1069774447.db2.gz LWMVVNXFUIQXMJ-XNTDXEJSSA-N -1 0 561.856 5.734 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408769380 1069876302 /nfs/dbraw/zinc/87/63/02/1069876302.db2.gz SKGLAIWAWFVWCP-WSDLNYQXSA-N -1 0 549.421 5.628 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408769612 1069876884 /nfs/dbraw/zinc/87/68/84/1069876884.db2.gz XFOJYSBMKAIRPC-GIJQJNRQSA-N -1 0 729.652 5.703 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408775803 1069880033 /nfs/dbraw/zinc/88/00/33/1069880033.db2.gz UXWNPXUWCSDWHI-NTJADAFJSA-N -1 0 504.586 6.143 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408772097 1069883275 /nfs/dbraw/zinc/88/32/75/1069883275.db2.gz ATKWHUWEHVSGAJ-LPYMAVHISA-N -1 0 508.441 5.305 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408772254 1069883980 /nfs/dbraw/zinc/88/39/80/1069883980.db2.gz NGURLAYNLZEKPJ-UDWIEESQSA-N -1 0 616.839 5.897 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)c1 ZINC000408774739 1069891363 /nfs/dbraw/zinc/89/13/63/1069891363.db2.gz XSQGXNSASOLOGM-VXLYETTFSA-N -1 0 618.709 6.727 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408774427 1069889502 /nfs/dbraw/zinc/88/95/02/1069889502.db2.gz WTZSCAOCMOWSHY-RGVLZGJSSA-N -1 0 647.263 5.616 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408774451 1069889791 /nfs/dbraw/zinc/88/97/91/1069889791.db2.gz XHGCTAPZTCYOQJ-WSDLNYQXSA-N -1 0 628.317 6.473 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408776914 1069892822 /nfs/dbraw/zinc/89/28/22/1069892822.db2.gz RYWBKNLDPXAWCI-GIJQJNRQSA-N -1 0 546.750 5.800 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408775728 1069893516 /nfs/dbraw/zinc/89/35/16/1069893516.db2.gz KJURKQBOYZXLQK-HYARGMPZSA-N -1 0 555.487 5.069 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C1=O ZINC000408777781 1069895481 /nfs/dbraw/zinc/89/54/81/1069895481.db2.gz ITBNGOUHARZKBO-PCLIKHOPSA-N -1 0 595.568 5.932 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408779650 1069900479 /nfs/dbraw/zinc/90/04/79/1069900479.db2.gz GWNOIVBLGCIRFT-SRZZPIQSSA-N -1 0 569.839 5.973 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408781005 1069905214 /nfs/dbraw/zinc/90/52/14/1069905214.db2.gz PQXJHCOBTLRRKH-RGVLZGJSSA-N -1 0 539.357 5.151 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408784036 1069910790 /nfs/dbraw/zinc/91/07/90/1069910790.db2.gz RUHDEXJAYKXSKI-LPYMAVHISA-N -1 0 553.400 5.290 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408783409 1069909796 /nfs/dbraw/zinc/90/97/96/1069909796.db2.gz LBYDCMZFAMVGLJ-YBFXNURJSA-N -1 0 600.263 5.774 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408781969 1069906072 /nfs/dbraw/zinc/90/60/72/1069906072.db2.gz USMDWSIOVMSPID-OEAKJJBVSA-N -1 0 561.819 6.501 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)c1 ZINC000408784787 1069912375 /nfs/dbraw/zinc/91/23/75/1069912375.db2.gz SSLWMYKOMJAISK-KEBDBYFISA-N -1 0 574.258 6.618 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408781757 1069917094 /nfs/dbraw/zinc/91/70/94/1069917094.db2.gz DPGULGGCZWQAKR-GIJQJNRQSA-N -1 0 546.750 5.800 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408785972 1069920595 /nfs/dbraw/zinc/92/05/95/1069920595.db2.gz CWNXVOWNRFZILS-FRKPEAEDSA-N -1 0 692.699 8.072 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408790888 1069919981 /nfs/dbraw/zinc/91/99/81/1069919981.db2.gz UGFNCFQOFHEIPL-CIAFOILYSA-N -1 0 580.391 5.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408786638 1069922096 /nfs/dbraw/zinc/92/20/96/1069922096.db2.gz LLRLYAGYRIJSQZ-FYJGNVAPSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408797122 1069931549 /nfs/dbraw/zinc/93/15/49/1069931549.db2.gz GFIDGACQLBCOEE-UDWIEESQSA-N -1 0 541.387 5.646 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408796924 1069931649 /nfs/dbraw/zinc/93/16/49/1069931649.db2.gz FDPGWWFLBMNFOM-VCHYOVAHSA-N -1 0 600.809 5.573 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408799072 1069933824 /nfs/dbraw/zinc/93/38/24/1069933824.db2.gz GSVKNOVMHJGPTQ-CAOOACKPSA-N -1 0 702.126 6.615 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408799693 1069934737 /nfs/dbraw/zinc/93/47/37/1069934737.db2.gz HNEMNNWWWUQFAO-OEAKJJBVSA-N -1 0 504.970 5.601 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408800680 1069936984 /nfs/dbraw/zinc/93/69/84/1069936984.db2.gz QNXXEGGEECQGDW-VCHYOVAHSA-N -1 0 580.649 6.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408801228 1069938551 /nfs/dbraw/zinc/93/85/51/1069938551.db2.gz SMLGBFDJMIBYTB-RGVLZGJSSA-N -1 0 580.391 5.228 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408807727 1069941163 /nfs/dbraw/zinc/94/11/63/1069941163.db2.gz ONOVKWDZGZCZHY-CIAFOILYSA-N -1 0 632.838 5.597 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 ZINC000408802745 1069945764 /nfs/dbraw/zinc/94/57/64/1069945764.db2.gz GVJCMHJIDRQEKG-UDWIEESQSA-N -1 0 505.914 5.110 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000408802400 1069944386 /nfs/dbraw/zinc/94/43/86/1069944386.db2.gz ZTSNHOGHCJZOTR-CAOOACKPSA-N -1 0 550.225 6.854 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408803957 1069948295 /nfs/dbraw/zinc/94/82/95/1069948295.db2.gz VDBHBFDQWRSFDV-UFFVCSGVSA-N -1 0 630.866 6.124 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408804074 1069948924 /nfs/dbraw/zinc/94/89/24/1069948924.db2.gz COCCYKHGHSYESY-CIAFOILYSA-N -1 0 541.387 5.646 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408804038 1069949014 /nfs/dbraw/zinc/94/90/14/1069949014.db2.gz CIABRAFAIMSUDR-HYARGMPZSA-N -1 0 555.812 5.747 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408804119 1069949044 /nfs/dbraw/zinc/94/90/44/1069949044.db2.gz WAFQMBQNKAGFJI-YBFXNURJSA-N -1 0 555.370 5.034 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408803521 1069947603 /nfs/dbraw/zinc/94/76/03/1069947603.db2.gz PZROQHIQSCDIBN-RGVLZGJSSA-N -1 0 511.361 5.556 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408804843 1069951558 /nfs/dbraw/zinc/95/15/58/1069951558.db2.gz ZRHVHPKFELKVFT-YDZHTSKRSA-N -1 0 563.448 5.882 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408805398 1069953416 /nfs/dbraw/zinc/95/34/16/1069953416.db2.gz AUZVMFIFXZQBKH-NLRVBDNBSA-N -1 0 520.541 5.262 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408807606 1069954106 /nfs/dbraw/zinc/95/41/06/1069954106.db2.gz CVWGJLOPNGSBQQ-NTEUORMPSA-N -1 0 537.819 5.817 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)c(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408805842 1069954152 /nfs/dbraw/zinc/95/41/52/1069954152.db2.gz HXGFCYPFEKAYOM-MTDXEUNCSA-N -1 0 548.595 5.879 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408806009 1069955025 /nfs/dbraw/zinc/95/50/25/1069955025.db2.gz DRORFKDFRLQDGA-CIAFOILYSA-N -1 0 597.393 5.019 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408805847 1069955108 /nfs/dbraw/zinc/95/51/08/1069955108.db2.gz HXLFSMCIEKLARF-LPYMAVHISA-N -1 0 504.970 5.601 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408807816 1069957309 /nfs/dbraw/zinc/95/73/09/1069957309.db2.gz HVFWMJRVVFIDPR-YDZHTSKRSA-N -1 0 607.457 5.497 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408813301 1069957504 /nfs/dbraw/zinc/95/75/04/1069957504.db2.gz MVZBRRJHOYBIMM-LPYMAVHISA-N -1 0 520.969 5.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408808015 1069958247 /nfs/dbraw/zinc/95/82/47/1069958247.db2.gz IRYMRDUGOGSIDL-RGVLZGJSSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC(C)C ZINC000408808658 1069959759 /nfs/dbraw/zinc/95/97/59/1069959759.db2.gz JWXUMGQXOVWCOW-LZYBPNLTSA-N -1 0 521.795 5.263 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1Cl ZINC000408808676 1069959818 /nfs/dbraw/zinc/95/98/18/1069959818.db2.gz JYQMNVRIRLKPCT-ZVHZXABRSA-N -1 0 545.422 7.009 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408808630 1069959894 /nfs/dbraw/zinc/95/98/94/1069959894.db2.gz QMIKUWTXYYICIA-FYJGNVAPSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408811667 1069965972 /nfs/dbraw/zinc/96/59/72/1069965972.db2.gz WAVZNYBZNRXABN-KEBDBYFISA-N -1 0 692.260 5.606 40 10 KKCBRM Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408810782 1069964597 /nfs/dbraw/zinc/96/45/97/1069964597.db2.gz MUTRHRRUCDBKNO-PCLIKHOPSA-N -1 0 507.502 5.302 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1C ZINC000408810826 1069964670 /nfs/dbraw/zinc/96/46/70/1069964670.db2.gz UWUJJPHJZTXMST-UDWIEESQSA-N -1 0 550.365 5.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408811395 1069965241 /nfs/dbraw/zinc/96/52/41/1069965241.db2.gz NOGBJXGGPUIFEC-DJKKODMXSA-N -1 0 623.230 5.852 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408811468 1069966287 /nfs/dbraw/zinc/96/62/87/1069966287.db2.gz KHCQPBUXYXUQHN-SRZZPIQSSA-N -1 0 511.361 5.556 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408809034 1069961165 /nfs/dbraw/zinc/96/11/65/1069961165.db2.gz HBXPJAIDIKNNKO-MTDXEUNCSA-N -1 0 577.434 7.001 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)c(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408809243 1069961406 /nfs/dbraw/zinc/96/14/06/1069961406.db2.gz KUVUCMYACOJDQW-MTDXEUNCSA-N -1 0 520.585 6.101 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408816236 1069971686 /nfs/dbraw/zinc/97/16/86/1069971686.db2.gz RGBZGYVYCXINFT-HYARGMPZSA-N -1 0 640.430 5.112 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408815321 1069969451 /nfs/dbraw/zinc/96/94/51/1069969451.db2.gz RBOHVQRIUGJZHT-OEAKJJBVSA-N -1 0 618.427 6.007 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000408815422 1069969965 /nfs/dbraw/zinc/96/99/65/1069969965.db2.gz RGMZNZYKOWEGMJ-PXLXIMEGSA-N -1 0 535.394 5.483 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408816197 1069971614 /nfs/dbraw/zinc/97/16/14/1069971614.db2.gz SUNCWDGINGAGCR-LICLKQGHSA-N -1 0 623.230 5.852 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408816132 1069971669 /nfs/dbraw/zinc/97/16/69/1069971669.db2.gz SPGZVPQHOAIXBA-CIAFOILYSA-N -1 0 549.967 5.509 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408816849 1069973077 /nfs/dbraw/zinc/97/30/77/1069973077.db2.gz SMJSAKNZQCMMHZ-LPYMAVHISA-N -1 0 674.875 5.765 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408818505 1069976870 /nfs/dbraw/zinc/97/68/70/1069976870.db2.gz VSOPHPQOASRYGG-LFIBNONCSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000408817863 1069975601 /nfs/dbraw/zinc/97/56/01/1069975601.db2.gz UQXLXQBTONMSHE-FYJGNVAPSA-N -1 0 550.365 5.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408816140 1069971781 /nfs/dbraw/zinc/97/17/81/1069971781.db2.gz SPLYHRITRABFIT-CIAFOILYSA-N -1 0 511.361 5.638 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408815000 1069982083 /nfs/dbraw/zinc/98/20/83/1069982083.db2.gz QYZNQASHHVPNMG-PCLIKHOPSA-N -1 0 582.657 6.092 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408823346 1069987678 /nfs/dbraw/zinc/98/76/78/1069987678.db2.gz NWPWLXFRUDTQND-GREAQNRRSA-N -1 0 758.702 9.515 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408823186 1069986833 /nfs/dbraw/zinc/98/68/33/1069986833.db2.gz MXNRERUUVPIWRL-JVWAILMASA-N -1 0 631.512 7.525 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408823520 1069988387 /nfs/dbraw/zinc/98/83/87/1069988387.db2.gz FSSBIBHVGQEUMO-LGJNPRDNSA-N -1 0 730.826 8.632 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408823662 1069989307 /nfs/dbraw/zinc/98/93/07/1069989307.db2.gz FTUDYJCSFLCUGY-UKDMQPFDSA-N -1 0 789.126 9.234 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408824064 1069990809 /nfs/dbraw/zinc/99/08/09/1069990809.db2.gz PFGVGGPOZPJVDW-AVWBWWNXSA-N -1 0 663.749 7.949 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000408819420 1069991460 /nfs/dbraw/zinc/99/14/60/1069991460.db2.gz SAEBTLWJVULZHL-WSDLNYQXSA-N -1 0 520.441 6.136 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408821994 1069999993 /nfs/dbraw/zinc/99/99/93/1069999993.db2.gz AXUNVWBKFBYMJY-LQKURTRISA-N -1 0 641.518 6.899 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408827754 1070007511 /nfs/dbraw/zinc/00/75/11/1070007511.db2.gz MPBYOJLEHCAFSW-WJDWJTHXSA-N -1 0 779.120 9.778 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408827212 1070006201 /nfs/dbraw/zinc/00/62/01/1070006201.db2.gz MJEFBTMEVBRLGY-JFLMPSFJSA-N -1 0 651.930 7.870 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408824451 1070009990 /nfs/dbraw/zinc/00/99/90/1070009990.db2.gz HRTYIUPQPGJPNW-LQKURTRISA-N -1 0 720.414 7.743 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408824650 1070010641 /nfs/dbraw/zinc/01/06/41/1070010641.db2.gz HBIMEPRRMQWOAZ-OGLMXYFKSA-N -1 0 628.037 6.471 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408828844 1070014637 /nfs/dbraw/zinc/01/46/37/1070014637.db2.gz MIWGBDPSPQBFHD-UXHLAJHPSA-N -1 0 562.622 6.136 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408830185 1070017069 /nfs/dbraw/zinc/01/70/69/1070017069.db2.gz OJPYXRWZGZOWAR-NVMNQCDNSA-N -1 0 579.358 6.575 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408828958 1070015415 /nfs/dbraw/zinc/01/54/15/1070015415.db2.gz MPCNIOKRQOODFA-NHDPSOOVSA-N -1 0 659.842 7.529 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408831127 1070019859 /nfs/dbraw/zinc/01/98/59/1070019859.db2.gz PSNDYIUORKDSGC-CAOOACKPSA-N -1 0 575.376 5.404 40 10 KKCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408831155 1070019237 /nfs/dbraw/zinc/01/92/37/1070019237.db2.gz OUQIWXTUJYZMSV-FYJGNVAPSA-N -1 0 511.361 5.638 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2)c1 ZINC000408832036 1070022472 /nfs/dbraw/zinc/02/24/72/1070022472.db2.gz PSVZWYWYVINWQA-RDRPBHBLSA-N -1 0 553.014 6.473 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)c(OC)cc1Cl ZINC000408832249 1070023126 /nfs/dbraw/zinc/02/31/26/1070023126.db2.gz QJCYDSSTYFLNJH-FRKPEAEDSA-N -1 0 596.250 6.563 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408833342 1070024080 /nfs/dbraw/zinc/02/40/80/1070024080.db2.gz JJNUKPSGXVKDGC-JVWAILMASA-N -1 0 617.485 7.217 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000408832748 1070024547 /nfs/dbraw/zinc/02/45/47/1070024547.db2.gz IRMDWGGZHGDFCH-BUVRLJJBSA-N -1 0 549.023 6.081 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OC(C)C)c(Cl)c4)C3=O)cc2)cc1 ZINC000408828426 1070025781 /nfs/dbraw/zinc/02/57/81/1070025781.db2.gz DXWNMICZHQVURP-OEAKJJBVSA-N -1 0 504.970 5.681 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408836432 1070026986 /nfs/dbraw/zinc/02/69/86/1070026986.db2.gz RBOLOVBHKMMVID-MFOYZWKCSA-N -1 0 569.750 6.911 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408836237 1070026090 /nfs/dbraw/zinc/02/60/90/1070026090.db2.gz ZXWZDZYUFOSIMQ-GIJQJNRQSA-N -1 0 589.403 5.794 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408836642 1070027303 /nfs/dbraw/zinc/02/73/03/1070027303.db2.gz TXUWJFWULVJKPV-JFLMPSFJSA-N -1 0 696.381 7.979 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408834272 1070032702 /nfs/dbraw/zinc/03/27/02/1070032702.db2.gz UCQQJZQRHFFUCF-LPYMAVHISA-N -1 0 560.965 5.895 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408835218 1070036973 /nfs/dbraw/zinc/03/69/73/1070036973.db2.gz NJFAEEULNSFPAA-JVWAILMASA-N -1 0 652.328 7.580 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Cl ZINC000408835250 1070037052 /nfs/dbraw/zinc/03/70/52/1070037052.db2.gz YBYMQHCJQFKSFS-MUFRIFMGSA-N -1 0 671.964 8.933 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408835854 1070038884 /nfs/dbraw/zinc/03/88/84/1070038884.db2.gz YMPWBGJGWBNJIY-ANTALQOISA-N -1 0 709.846 9.271 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCC ZINC000408836157 1070040596 /nfs/dbraw/zinc/04/05/96/1070040596.db2.gz ZDLLJBHQPHOCGQ-LPYMAVHISA-N -1 0 644.316 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408844034 1070049629 /nfs/dbraw/zinc/04/96/29/1070049629.db2.gz IBTWKMWDUTYEKE-WSDLNYQXSA-N -1 0 567.411 5.849 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408844753 1070051066 /nfs/dbraw/zinc/05/10/66/1070051066.db2.gz WGGGPQNWKLKTRD-DAIZXWHWSA-N -1 0 647.753 5.440 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1Cl ZINC000408845362 1070051579 /nfs/dbraw/zinc/05/15/79/1070051579.db2.gz MLODWIWXEDBNRT-GXDHUFHOSA-N -1 0 535.792 5.525 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000408846317 1070053467 /nfs/dbraw/zinc/05/34/67/1070053467.db2.gz IMVAHIBDVFTISR-GZTJUZNOSA-N -1 0 576.299 6.475 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408846761 1070054428 /nfs/dbraw/zinc/05/44/28/1070054428.db2.gz RTIDKSJCNJVVGA-GZTJUZNOSA-N -1 0 607.269 6.074 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)C2=O)cc1C ZINC000408848051 1070057126 /nfs/dbraw/zinc/05/71/26/1070057126.db2.gz XXGZMHYVILGBBL-MHWRWJLKSA-N -1 0 544.745 5.554 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2I)cc1 ZINC000408853098 1070060314 /nfs/dbraw/zinc/06/03/14/1070060314.db2.gz PRGFSOMZOZQETE-SRZZPIQSSA-N -1 0 692.291 6.066 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408852908 1070060350 /nfs/dbraw/zinc/06/03/50/1070060350.db2.gz JRHJPCVGZBRQAU-GZTJUZNOSA-N -1 0 561.874 6.456 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1C ZINC000408843307 1070057589 /nfs/dbraw/zinc/05/75/89/1070057589.db2.gz FJHYRWHRZIXOKG-KEBDBYFISA-N -1 0 710.160 6.678 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1C ZINC000408851290 1070065616 /nfs/dbraw/zinc/06/56/16/1070065616.db2.gz XIANSSACVNEZSL-UDWIEESQSA-N -1 0 525.439 5.689 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408856820 1070066857 /nfs/dbraw/zinc/06/68/57/1070066857.db2.gz LKMJMZMMBVHMIK-MHWRWJLKSA-N -1 0 558.399 5.321 40 10 KKCBRM CNc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408853782 1070071023 /nfs/dbraw/zinc/07/10/23/1070071023.db2.gz SABFPAVNKUKFFE-WEVVVXLNSA-N -1 0 658.086 5.076 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408866626 1070086187 /nfs/dbraw/zinc/08/61/87/1070086187.db2.gz IKMYKAYJGALJLK-YDZHTSKRSA-N -1 0 547.449 5.949 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408868222 1070089205 /nfs/dbraw/zinc/08/92/05/1070089205.db2.gz NFSVUSCOFXTMCE-ZMOGYAJESA-N -1 0 594.449 5.791 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)c(Cl)c1 ZINC000408868910 1070090116 /nfs/dbraw/zinc/09/01/16/1070090116.db2.gz OEIGGLSPTDPHHR-BOPFTXTBSA-N -1 0 513.750 5.499 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408869558 1070091389 /nfs/dbraw/zinc/09/13/89/1070091389.db2.gz SCXFNEFYHUVFRC-IWIPYMOSSA-N -1 0 601.522 6.720 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408869677 1070092096 /nfs/dbraw/zinc/09/20/96/1070092096.db2.gz SYBJVESRJUBHON-NDENLUEZSA-N -1 0 522.960 5.740 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408869770 1070092128 /nfs/dbraw/zinc/09/21/28/1070092128.db2.gz QVZMQLIFIWVCIE-XKZIYDEJSA-N -1 0 565.489 5.875 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408869645 1070092160 /nfs/dbraw/zinc/09/21/60/1070092160.db2.gz SVHVRFUXYQOUGC-YDZHTSKRSA-N -1 0 614.867 6.217 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408870335 1070093145 /nfs/dbraw/zinc/09/31/45/1070093145.db2.gz WFRWJRVGDSDCJU-BUVRLJJBSA-N -1 0 502.954 5.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Br)c1 ZINC000408870706 1070094543 /nfs/dbraw/zinc/09/45/43/1070094543.db2.gz UJWQMBDWKRPTDC-VCHYOVAHSA-N -1 0 548.195 6.152 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Cl)c3)C2=O)c1 ZINC000408871046 1070095523 /nfs/dbraw/zinc/09/55/23/1070095523.db2.gz VLZGRAIBYHQTII-UDWIEESQSA-N -1 0 523.814 5.977 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408872811 1070098135 /nfs/dbraw/zinc/09/81/35/1070098135.db2.gz JDZNXJQIACVJNO-JCMHNJIXSA-N -1 0 559.391 6.295 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408873771 1070099808 /nfs/dbraw/zinc/09/98/08/1070099808.db2.gz VNSXKSFTGMVPQN-WQRHYEAKSA-N -1 0 557.347 5.371 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Cl ZINC000408874236 1070100704 /nfs/dbraw/zinc/10/07/04/1070100704.db2.gz ZMNPDHHKVABTCX-DEDYPNTBSA-N -1 0 511.759 5.065 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408874808 1070102475 /nfs/dbraw/zinc/10/24/75/1070102475.db2.gz DDQCIOXMAUACGS-MFOYZWKCSA-N -1 0 655.247 6.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408879573 1070103161 /nfs/dbraw/zinc/10/31/61/1070103161.db2.gz GXPJTQCUAOHPCM-WPWMEQJKSA-N -1 0 647.105 6.060 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408880891 1070104806 /nfs/dbraw/zinc/10/48/06/1070104806.db2.gz KIBRJHLZCRTDAI-CIAFOILYSA-N -1 0 509.389 5.958 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408879872 1070104913 /nfs/dbraw/zinc/10/49/13/1070104913.db2.gz HNOBARFSVPMYEF-KEBDBYFISA-N -1 0 571.830 6.206 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408875366 1070107303 /nfs/dbraw/zinc/10/73/03/1070107303.db2.gz DWNDXIHFEROJNT-VXLYETTFSA-N -1 0 541.785 5.074 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cc2ccccc2Br)ccc2ccccc21 ZINC000408876795 1070110189 /nfs/dbraw/zinc/11/01/89/1070110189.db2.gz NXEWSBLRQRRUIA-ULJHMMPZSA-N -1 0 527.443 6.024 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408876813 1070111058 /nfs/dbraw/zinc/11/10/58/1070111058.db2.gz OBAPRTGSZUIGNK-DJKKODMXSA-N -1 0 529.807 6.221 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1Cc1ccccc1Cl ZINC000408877082 1070111287 /nfs/dbraw/zinc/11/12/87/1070111287.db2.gz PNTWOJPVIUZPIA-AQTBWJFISA-N -1 0 513.750 5.499 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Br ZINC000408884785 1070119255 /nfs/dbraw/zinc/11/92/55/1070119255.db2.gz VRNNEIITJAJPPO-OVVQPSECSA-N -1 0 646.335 7.048 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408884853 1070120336 /nfs/dbraw/zinc/12/03/36/1070120336.db2.gz YRAVGTVLBRRYPU-WOJGMQOQSA-N -1 0 600.263 5.774 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408881708 1070124175 /nfs/dbraw/zinc/12/41/75/1070124175.db2.gz LVONONBFDDTALA-WSDLNYQXSA-N -1 0 518.997 5.828 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408883217 1070128553 /nfs/dbraw/zinc/12/85/53/1070128553.db2.gz RZPHISLZAZQSJG-YBEGLDIGSA-N -1 0 604.226 5.605 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(C)c3)c(Br)c2)C1=O ZINC000408883249 1070128646 /nfs/dbraw/zinc/12/86/46/1070128646.db2.gz OVRLMALDUXYQEX-STZFKDTASA-N -1 0 519.395 5.565 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408881956 1070125159 /nfs/dbraw/zinc/12/51/59/1070125159.db2.gz MPJBTLQNSJLLLQ-ODLFYWEKSA-N -1 0 573.860 6.853 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408882445 1070125935 /nfs/dbraw/zinc/12/59/35/1070125935.db2.gz RCDOQHVLXLPDRJ-RGVLZGJSSA-N -1 0 583.866 6.282 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408882287 1070126091 /nfs/dbraw/zinc/12/60/91/1070126091.db2.gz OJERHHCZWLOXBG-CIAFOILYSA-N -1 0 567.411 5.849 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408882858 1070127739 /nfs/dbraw/zinc/12/77/39/1070127739.db2.gz SKIPWSUTYPDYIZ-MTDXEUNCSA-N -1 0 504.586 6.264 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408889274 1070130975 /nfs/dbraw/zinc/13/09/75/1070130975.db2.gz BZBARGDELGJZEX-LICLKQGHSA-N -1 0 573.802 5.804 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408891147 1070133983 /nfs/dbraw/zinc/13/39/83/1070133983.db2.gz MGOPIOHEXXSRHW-YDZHTSKRSA-N -1 0 654.457 5.339 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408886979 1070136997 /nfs/dbraw/zinc/13/69/97/1070136997.db2.gz KQJIXXRQAKKSFR-UDWIEESQSA-N -1 0 619.877 5.244 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408893546 1070139638 /nfs/dbraw/zinc/13/96/38/1070139638.db2.gz BBDPCZZIODOCLS-WQRHYEAKSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408893924 1070141239 /nfs/dbraw/zinc/14/12/39/1070141239.db2.gz HAQGFMSLGQUNBU-YBFXNURJSA-N -1 0 600.384 5.301 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C1=O ZINC000408894083 1070142005 /nfs/dbraw/zinc/14/20/05/1070142005.db2.gz DIVORZFNIMYBPQ-UNOMPAQXSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408894881 1070144496 /nfs/dbraw/zinc/14/44/96/1070144496.db2.gz KXHWJOVJCXEHOB-UDWIEESQSA-N -1 0 614.290 6.164 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408895289 1070145238 /nfs/dbraw/zinc/14/52/38/1070145238.db2.gz DRDSPUQWYOOPAB-YDZHTSKRSA-N -1 0 606.473 5.457 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408896740 1070151146 /nfs/dbraw/zinc/15/11/46/1070151146.db2.gz HSKQEPRIFSDENR-HAHDFKILSA-N -1 0 520.969 5.383 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)C1=O ZINC000408893392 1070155887 /nfs/dbraw/zinc/15/58/87/1070155887.db2.gz BKYMNJNMKMXEIU-NDENLUEZSA-N -1 0 560.231 6.310 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408893464 1070155974 /nfs/dbraw/zinc/15/59/74/1070155974.db2.gz ARPGCZHLCDRZLZ-QQXSKIMKSA-N -1 0 621.528 6.889 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000408893511 1070156183 /nfs/dbraw/zinc/15/61/83/1070156183.db2.gz AVQXNIUVTQRFIW-OEAKJJBVSA-N -1 0 653.270 6.452 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408899727 1070160027 /nfs/dbraw/zinc/16/00/27/1070160027.db2.gz QBPACMKSIRRLFU-WSDLNYQXSA-N -1 0 592.446 5.067 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408899550 1070158482 /nfs/dbraw/zinc/15/84/82/1070158482.db2.gz QGFRXANTWSBRKM-YBEGLDIGSA-N -1 0 606.775 5.338 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)cc3)C2=O)ccc1Br ZINC000408901106 1070166092 /nfs/dbraw/zinc/16/60/92/1070166092.db2.gz VQHUIJCBAMYDPK-XYGWBWBKSA-N -1 0 555.428 6.465 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408897239 1070171077 /nfs/dbraw/zinc/17/10/77/1070171077.db2.gz INQCVSGPRDUASY-UCQKPKSFSA-N -1 0 534.996 5.691 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408901597 1070168566 /nfs/dbraw/zinc/16/85/66/1070168566.db2.gz ZBNUVOZATUCTHW-MOSHPQCFSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)c(C)c1 ZINC000408898708 1070175407 /nfs/dbraw/zinc/17/54/07/1070175407.db2.gz MJXALGNWWWSDOV-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 ZINC000408902257 1070182775 /nfs/dbraw/zinc/18/27/75/1070182775.db2.gz GLIVBTBCOBVYIH-UDWIEESQSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000408911767 1070205028 /nfs/dbraw/zinc/20/50/28/1070205028.db2.gz DFNYRFYRJQCSRP-QGMBQPNBSA-N -1 0 686.190 5.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408934523 1070270287 /nfs/dbraw/zinc/27/02/87/1070270287.db2.gz DXAHOFUFCPVXSH-UXHLAJHPSA-N -1 0 641.482 8.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408938670 1070295404 /nfs/dbraw/zinc/29/54/04/1070295404.db2.gz RAHBVWUKABEYNE-BUVRLJJBSA-N -1 0 635.873 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000408942258 1070302277 /nfs/dbraw/zinc/30/22/77/1070302277.db2.gz YOOCBPIYMPKIQZ-MFKUBSTISA-N -1 0 591.422 6.957 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408942297 1070302774 /nfs/dbraw/zinc/30/27/74/1070302774.db2.gz YYAWONATCJPXST-LGJNPRDNSA-N -1 0 669.920 8.009 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000408947367 1070311446 /nfs/dbraw/zinc/31/14/46/1070311446.db2.gz CFLINBQXIHGTGU-RPPGKUMJSA-N -1 0 818.877 8.262 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408950393 1070307995 /nfs/dbraw/zinc/30/79/95/1070307995.db2.gz JSGDWWFNDOVYHM-ZVHZXABRSA-N -1 0 536.540 5.213 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408953344 1070315942 /nfs/dbraw/zinc/31/59/42/1070315942.db2.gz PYUSLRDMEFDNIN-UVHMKAGCSA-N -1 0 631.556 7.715 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408953262 1070316021 /nfs/dbraw/zinc/31/60/21/1070316021.db2.gz PLHVIKADCRBJRW-KKMKTNMSSA-N -1 0 646.527 7.615 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408953949 1070316997 /nfs/dbraw/zinc/31/69/97/1070316997.db2.gz QQGWVXQIAVYVMQ-LPYMAVHISA-N -1 0 558.388 5.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408955839 1070317401 /nfs/dbraw/zinc/31/74/01/1070317401.db2.gz UUHGPUBXESGOEH-DJKKODMXSA-N -1 0 599.821 5.475 40 10 KKCBRM COC(=O)COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408954579 1070317753 /nfs/dbraw/zinc/31/77/53/1070317753.db2.gz RQLLHXDRCQJJRR-LSFURLLWSA-N -1 0 766.370 5.582 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408954625 1070317894 /nfs/dbraw/zinc/31/78/94/1070317894.db2.gz RYFFYDLPQWZECJ-RWPZCVJISA-N -1 0 568.117 7.190 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OC(C)C ZINC000408955522 1070319305 /nfs/dbraw/zinc/31/93/05/1070319305.db2.gz UPQJPSSZKFGPHQ-BHGWPJFGSA-N -1 0 640.518 6.221 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408965979 1070331516 /nfs/dbraw/zinc/33/15/16/1070331516.db2.gz KQGFLNYMCNYUDM-HYARGMPZSA-N -1 0 545.462 5.545 40 10 KKCBRM Cc1ccc(OCCOCCOc2cccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c2)cc1 ZINC000408970051 1070334645 /nfs/dbraw/zinc/33/46/45/1070334645.db2.gz ZGAIOGKKWNLICT-UQQQWYQISA-N -1 0 535.643 5.573 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2Br)cc1 ZINC000408974321 1070336208 /nfs/dbraw/zinc/33/62/08/1070336208.db2.gz XTCPHWMKJZEOGJ-UNOMPAQXSA-N -1 0 545.311 6.075 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4cccc5ccccc54)cc3Br)C2=O)cc1 ZINC000408981353 1070338871 /nfs/dbraw/zinc/33/88/71/1070338871.db2.gz ANNNVMNNXYZHHH-MYYYXRDXSA-N -1 0 585.454 6.419 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408981697 1070339602 /nfs/dbraw/zinc/33/96/02/1070339602.db2.gz CNIFKNKCEATBFD-XKZIYDEJSA-N -1 0 504.970 5.465 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1Cl ZINC000408983146 1070342039 /nfs/dbraw/zinc/34/20/39/1070342039.db2.gz KYVCGVCPAKFOIO-JJFYIABZSA-N -1 0 610.291 7.463 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408983605 1070343091 /nfs/dbraw/zinc/34/30/91/1070343091.db2.gz MTLLCHIOFVNXEL-NHDPSOOVSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408985674 1070346697 /nfs/dbraw/zinc/34/66/97/1070346697.db2.gz XNIALNQYLMEVRY-HMAPJEAMSA-N -1 0 596.421 5.498 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)cc1Cl ZINC000408986081 1070347156 /nfs/dbraw/zinc/34/71/56/1070347156.db2.gz LNZYQTKQOCWOEC-LSCVHKIXSA-N -1 0 569.795 5.385 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000408987644 1070350368 /nfs/dbraw/zinc/35/03/68/1070350368.db2.gz BMBDZCHBSNYWOK-RVDMUPIBSA-N -1 0 512.037 5.834 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1Cl ZINC000408984371 1070352914 /nfs/dbraw/zinc/35/29/14/1070352914.db2.gz QFPCTVBLTUDCLO-GRSHGNNSSA-N -1 0 651.682 6.261 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)[O-])c3C)C2=O)cc1Br ZINC000408984733 1070353465 /nfs/dbraw/zinc/35/34/65/1070353465.db2.gz JLGKUSNBRKOWOC-XSFVSMFZSA-N -1 0 504.380 6.326 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408992125 1070359581 /nfs/dbraw/zinc/35/95/81/1070359581.db2.gz QNWSEEJTPXKAHU-SFQUDFHCSA-N -1 0 532.628 5.495 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408990002 1070355159 /nfs/dbraw/zinc/35/51/59/1070355159.db2.gz UWFUSRVVQCQHCU-YOWYGEOISA-N -1 0 603.700 5.041 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408994601 1070371178 /nfs/dbraw/zinc/37/11/78/1070371178.db2.gz ZVOJUSXTDIQXHX-ZVHZXABRSA-N -1 0 691.772 6.604 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c3ccccc32)c1 ZINC000409000613 1070375990 /nfs/dbraw/zinc/37/59/90/1070375990.db2.gz UGAHOHWLXFIMHW-OEAKJJBVSA-N -1 0 544.474 5.900 40 10 KKCBRM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccccc4)o3)C2=O)cc1 ZINC000409004024 1070386275 /nfs/dbraw/zinc/38/62/75/1070386275.db2.gz WFVRZALPRSWEQA-XDHOZWIPSA-N -1 0 511.397 5.983 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(C)C)c(Br)c2)C1=O ZINC000409046726 1070443132 /nfs/dbraw/zinc/44/31/32/1070443132.db2.gz LQISZKIFRUJATR-VGOFMYFVSA-N -1 0 570.665 5.875 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1Cl ZINC000409044494 1070451745 /nfs/dbraw/zinc/45/17/45/1070451745.db2.gz VLWFHYLENLUHQR-DJKKODMXSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409045089 1070453122 /nfs/dbraw/zinc/45/31/22/1070453122.db2.gz FMELDYCBRUKEFC-VCHYOVAHSA-N -1 0 519.743 6.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409046257 1070455335 /nfs/dbraw/zinc/45/53/35/1070455335.db2.gz JPOGDZGWNNCPCI-QGMBQPNBSA-N -1 0 619.197 5.504 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409046951 1070457805 /nfs/dbraw/zinc/45/78/05/1070457805.db2.gz LQQALPIQNQBZNR-QGMBQPNBSA-N -1 0 550.225 6.854 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409047037 1070457891 /nfs/dbraw/zinc/45/78/91/1070457891.db2.gz MFGCZCOPMJXMTN-WGOQTCKBSA-N -1 0 573.432 6.818 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C1=O ZINC000409049765 1070463551 /nfs/dbraw/zinc/46/35/51/1070463551.db2.gz YJUAPTURNGPAPQ-DJKKODMXSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409058708 1070471459 /nfs/dbraw/zinc/47/14/59/1070471459.db2.gz SOZCXAFOWJONQV-VXLYETTFSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409055855 1070476876 /nfs/dbraw/zinc/47/68/76/1070476876.db2.gz JUSGHTCPRSZWGW-VCHYOVAHSA-N -1 0 564.194 6.140 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000409075377 1070488422 /nfs/dbraw/zinc/48/84/22/1070488422.db2.gz XSYOKQFPMOQQEE-FYJGNVAPSA-N -1 0 696.903 5.176 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075806 1070489192 /nfs/dbraw/zinc/48/91/92/1070489192.db2.gz UMBMXLCZBALOLJ-GZTJUZNOSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409077246 1070492165 /nfs/dbraw/zinc/49/21/65/1070492165.db2.gz DIIDKZGWFAMFBT-VIZOYTHASA-N -1 0 588.272 5.177 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC(C)C ZINC000409069758 1070494707 /nfs/dbraw/zinc/49/47/07/1070494707.db2.gz WHMZOVOVOHFQBZ-RIYZIHGNSA-N -1 0 523.836 5.038 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078085 1070512862 /nfs/dbraw/zinc/51/28/62/1070512862.db2.gz GNSYBVZLMFUQTH-WOJGMQOQSA-N -1 0 575.883 6.124 40 10 KKCBRM CC(C)(C)[C@H]1CCc2c(sc([N-]S(=O)(=O)c3cccc4cccc(Cl)c43)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409110940 1070537439 /nfs/dbraw/zinc/53/74/39/1070537439.db2.gz ZTGKZTLHQNBPHA-SFHVURJKSA-N -1 0 587.594 8.412 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409119823 1070545930 /nfs/dbraw/zinc/54/59/30/1070545930.db2.gz TTWMIGKUIYNNFW-UKTHLTGXSA-N -1 0 506.685 5.481 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409149041 1070567111 /nfs/dbraw/zinc/56/71/11/1070567111.db2.gz WFXJCBMFSPXTON-OEAKJJBVSA-N -1 0 549.023 5.687 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409150914 1070569289 /nfs/dbraw/zinc/56/92/89/1070569289.db2.gz DZMBUTDRJXKXDE-KYTVRQNUSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151101 1070569518 /nfs/dbraw/zinc/56/95/18/1070569518.db2.gz GHLJNHDXPUQZRN-MVYHEMRASA-N -1 0 589.313 8.177 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184996 1070604710 /nfs/dbraw/zinc/60/47/10/1070604710.db2.gz JBQOGAPAXPWYGH-KRALNJRZSA-N -1 0 698.845 7.494 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409218114 1070640926 /nfs/dbraw/zinc/64/09/26/1070640926.db2.gz CVMBQGQEFDSCJT-QGMBQPNBSA-N -1 0 579.223 5.984 40 10 KKCBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409239002 1070654717 /nfs/dbraw/zinc/65/47/17/1070654717.db2.gz YFZWNROZSZTILI-WOJGMQOQSA-N -1 0 517.445 5.201 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409239115 1070654779 /nfs/dbraw/zinc/65/47/79/1070654779.db2.gz BYJSHOVZVRNGNT-WOJGMQOQSA-N -1 0 528.859 5.650 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409231069 1070656876 /nfs/dbraw/zinc/65/68/76/1070656876.db2.gz BDQUSFZJJSKNCG-PDGQHHTCSA-N -1 0 514.832 5.341 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409233711 1070659210 /nfs/dbraw/zinc/65/92/10/1070659210.db2.gz WETBEEPNIFMERE-DEDYPNTBSA-N -1 0 512.462 6.356 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409234443 1070660483 /nfs/dbraw/zinc/66/04/83/1070660483.db2.gz WQQCJQPIEJJUKA-YDZHTSKRSA-N -1 0 502.596 5.265 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409250399 1070667102 /nfs/dbraw/zinc/66/71/02/1070667102.db2.gz KYJIRYDABGLYJT-PDGQHHTCSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409241205 1070668627 /nfs/dbraw/zinc/66/86/27/1070668627.db2.gz JKTZILYIJQCNLE-CVKSISIWSA-N -1 0 622.650 7.004 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2)cc1Cl ZINC000409256131 1070675380 /nfs/dbraw/zinc/67/53/80/1070675380.db2.gz OBHIMYOILUQZFY-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409257905 1070678279 /nfs/dbraw/zinc/67/82/79/1070678279.db2.gz ULOGDIMWKTWFBE-QRQIAZFYSA-N -1 0 654.119 6.618 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1C ZINC000409258222 1070678991 /nfs/dbraw/zinc/67/89/91/1070678991.db2.gz XBGOEFUYTWLEON-SRZZPIQSSA-N -1 0 552.414 5.603 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409253667 1070686775 /nfs/dbraw/zinc/68/67/75/1070686775.db2.gz GJSWFYOLUXMCOX-KEBDBYFISA-N -1 0 582.440 5.611 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409264745 1070687503 /nfs/dbraw/zinc/68/75/03/1070687503.db2.gz RTJJDSMBFZMYKD-CIAFOILYSA-N -1 0 718.342 5.753 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409265625 1070688986 /nfs/dbraw/zinc/68/89/86/1070688986.db2.gz UGQHKEWQLXHYSX-YBFXNURJSA-N -1 0 692.158 5.966 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1C ZINC000409251941 1070682612 /nfs/dbraw/zinc/68/26/12/1070682612.db2.gz ANHPCQNZDAWRSD-JMIUGGIZSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000409268882 1070694132 /nfs/dbraw/zinc/69/41/32/1070694132.db2.gz ZAJZGOMRVLFYMZ-RGVLZGJSSA-N -1 0 542.350 5.125 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)c(C)c1 ZINC000409260781 1070696348 /nfs/dbraw/zinc/69/63/48/1070696348.db2.gz WHPHRJYWTUKUJO-GRSHGNNSSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1C ZINC000409262367 1070698437 /nfs/dbraw/zinc/69/84/37/1070698437.db2.gz HDBNEMOYEISWMX-FSGOGVSDSA-N -1 0 575.621 5.566 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl ZINC000409271239 1070707915 /nfs/dbraw/zinc/70/79/15/1070707915.db2.gz KWQCZXUUOBNOSJ-MFOYZWKCSA-N -1 0 678.677 5.457 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Br)c3)C2=O)cc1 ZINC000408880197 1070788658 /nfs/dbraw/zinc/78/86/58/1070788658.db2.gz DZRPKGJFOALZFP-FYJGNVAPSA-N -1 0 568.265 6.031 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408880073 1070789954 /nfs/dbraw/zinc/78/99/54/1070789954.db2.gz IUYHWVWAHFSCRI-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c1 ZINC000408880175 1070790244 /nfs/dbraw/zinc/79/02/44/1070790244.db2.gz GIRBXMQTKUXIHF-ZVHZXABRSA-N -1 0 517.423 5.940 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408879783 1070791336 /nfs/dbraw/zinc/79/13/36/1070791336.db2.gz FMGJQLXYNYWDFJ-BUVRLJJBSA-N -1 0 549.421 5.710 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408881049 1070785790 /nfs/dbraw/zinc/78/57/90/1070785790.db2.gz KAQACKGGCKMHOB-MOSHPQCFSA-N -1 0 522.960 5.686 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408880924 1070786491 /nfs/dbraw/zinc/78/64/91/1070786491.db2.gz JFEMMVTZNKSEIW-VCHYOVAHSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408880530 1070787729 /nfs/dbraw/zinc/78/77/29/1070787729.db2.gz IDRGQWSNARGWOY-OEAKJJBVSA-N -1 0 577.431 5.488 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408878917 1070796781 /nfs/dbraw/zinc/79/67/81/1070796781.db2.gz DBCCWEMSGNSXAD-WPWMEQJKSA-N -1 0 613.464 6.282 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2ccccc2F)c1 ZINC000408878934 1070796974 /nfs/dbraw/zinc/79/69/74/1070796974.db2.gz BUMUQWLBFAVDNE-WPWMEQJKSA-N -1 0 552.558 5.659 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408878790 1070798262 /nfs/dbraw/zinc/79/82/62/1070798262.db2.gz BRVVTYBPGONODS-WQRHYEAKSA-N -1 0 573.802 5.886 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408878359 1070799926 /nfs/dbraw/zinc/79/99/26/1070799926.db2.gz ADDHXSOKURMLTQ-NDENLUEZSA-N -1 0 555.881 5.923 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Cc1ccccc1F ZINC000408877898 1070803428 /nfs/dbraw/zinc/80/34/28/1070803428.db2.gz XTKWHZFCVQYULN-DJKKODMXSA-N -1 0 604.803 5.658 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408877998 1070803804 /nfs/dbraw/zinc/80/38/04/1070803804.db2.gz ZUNOVZXAWGIHTB-HAHDFKILSA-N -1 0 557.469 6.321 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408877843 1070804993 /nfs/dbraw/zinc/80/49/93/1070804993.db2.gz YUJQLVHSFUYNHO-BKUYFWCQSA-N -1 0 539.415 6.200 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000408889064 1070810742 /nfs/dbraw/zinc/81/07/42/1070810742.db2.gz DFBMLIFWHFOWQI-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1 ZINC000408887823 1070817527 /nfs/dbraw/zinc/81/75/27/1070817527.db2.gz RLJYCMPJSZOJKT-YZSQISJMSA-N -1 0 538.531 5.401 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408888688 1070812530 /nfs/dbraw/zinc/81/25/30/1070812530.db2.gz YZFXREHPARRZOT-FYJGNVAPSA-N -1 0 521.367 5.012 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408888291 1070815392 /nfs/dbraw/zinc/81/53/92/1070815392.db2.gz YRGHSLMGOUWMNS-SSDVNMTOSA-N -1 0 549.967 5.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408888355 1070816293 /nfs/dbraw/zinc/81/62/93/1070816293.db2.gz UQTOUQHMJHLLCN-YBFXNURJSA-N -1 0 616.839 5.815 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408887461 1070821184 /nfs/dbraw/zinc/82/11/84/1070821184.db2.gz QVDXLCYZZORAJA-CIAFOILYSA-N -1 0 522.960 5.740 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Br)cc1 ZINC000408896723 1070827738 /nfs/dbraw/zinc/82/77/38/1070827738.db2.gz HPDPQENMSUZFAQ-LPYMAVHISA-N -1 0 562.420 5.058 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408897227 1070823948 /nfs/dbraw/zinc/82/39/48/1070823948.db2.gz IKZMGURAPSCVND-IWIPYMOSSA-N -1 0 565.420 5.492 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408897208 1070824355 /nfs/dbraw/zinc/82/43/55/1070824355.db2.gz IFACKPQDDHJYGR-JDCMOKTRSA-N -1 0 584.672 7.726 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408897198 1070824407 /nfs/dbraw/zinc/82/44/07/1070824407.db2.gz IDXFVHQSMUMNAZ-UQQQWYQISA-N -1 0 514.578 5.428 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408897088 1070825953 /nfs/dbraw/zinc/82/59/53/1070825953.db2.gz VLMSHCKTPQJDHD-WPWMEQJKSA-N -1 0 552.558 5.659 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408896857 1070826624 /nfs/dbraw/zinc/82/66/24/1070826624.db2.gz LLSCMQNMBDQJOB-MTJSOVHGSA-N -1 0 555.812 5.665 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408896726 1070828446 /nfs/dbraw/zinc/82/84/46/1070828446.db2.gz HPEZPMIPPQRTPX-JCMHNJIXSA-N -1 0 553.384 5.622 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408896660 1070831210 /nfs/dbraw/zinc/83/12/10/1070831210.db2.gz GYSCYQASMSTXIV-PKAZHMFMSA-N -1 0 599.083 7.235 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408896655 1070831387 /nfs/dbraw/zinc/83/13/87/1070831387.db2.gz GXVCOBIAKYUJIE-XKZIYDEJSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408896144 1070835096 /nfs/dbraw/zinc/83/50/96/1070835096.db2.gz PIOVQUJHFWFQLF-BUVRLJJBSA-N -1 0 577.431 5.488 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1Br ZINC000408895903 1070839313 /nfs/dbraw/zinc/83/93/13/1070839313.db2.gz GBEIHQFUEKDGAN-UCQKPKSFSA-N -1 0 634.324 7.227 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)ccc1Br ZINC000408895947 1070840222 /nfs/dbraw/zinc/84/02/22/1070840222.db2.gz GFFDEOTUXOQOPC-ODLFYWEKSA-N -1 0 570.783 5.565 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408895727 1070841125 /nfs/dbraw/zinc/84/11/25/1070841125.db2.gz OADFYZRXKXDHIQ-CVKSISIWSA-N -1 0 631.454 6.421 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895444 1070845136 /nfs/dbraw/zinc/84/51/36/1070845136.db2.gz MVIHIEIABHKLCH-VXLYETTFSA-N -1 0 666.877 5.004 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895221 1070848519 /nfs/dbraw/zinc/84/85/19/1070848519.db2.gz UHNKRJGBKATHLX-UDWIEESQSA-N -1 0 619.877 5.244 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)SC2=S)c(C)c1 ZINC000409342268 1070849052 /nfs/dbraw/zinc/84/90/52/1070849052.db2.gz BAPGJPCCKGSEPF-NVNXTCNLSA-N -1 0 593.249 5.624 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408894844 1070850581 /nfs/dbraw/zinc/85/05/81/1070850581.db2.gz GIPPEZDJELNFHU-BKUYFWCQSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(F)c2)C1=O ZINC000408894434 1070855814 /nfs/dbraw/zinc/85/58/14/1070855814.db2.gz CLSZBMXMQOITRR-NDENLUEZSA-N -1 0 543.776 5.795 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000408894552 1070853882 /nfs/dbraw/zinc/85/38/82/1070853882.db2.gz IOHUCIMABAYJII-WSDLNYQXSA-N -1 0 509.389 6.164 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Br)c3)C2=O)cc1 ZINC000408893593 1070863520 /nfs/dbraw/zinc/86/35/20/1070863520.db2.gz BGJZNYQRRPVPRA-UYRXBGFRSA-N -1 0 501.377 5.082 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2)c1 ZINC000408894277 1070856518 /nfs/dbraw/zinc/85/65/18/1070856518.db2.gz FJHJCEGWMZIEOW-HMAPJEAMSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C1=O ZINC000408894120 1070858031 /nfs/dbraw/zinc/85/80/31/1070858031.db2.gz JFJYQRLRKMAQSZ-GZTJUZNOSA-N -1 0 543.776 5.795 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408893413 1070865455 /nfs/dbraw/zinc/86/54/55/1070865455.db2.gz AESMHFUFGBYRMG-XKZIYDEJSA-N -1 0 565.966 5.291 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Cl)c1 ZINC000408893440 1070865923 /nfs/dbraw/zinc/86/59/23/1070865923.db2.gz AOEGJTZXJWMZEW-MTJSOVHGSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408893141 1070867797 /nfs/dbraw/zinc/86/77/97/1070867797.db2.gz FVMDWGOGGWZWQK-UDWIEESQSA-N -1 0 616.383 5.083 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408892760 1070869408 /nfs/dbraw/zinc/86/94/08/1070869408.db2.gz CVTDJFONTUWKPW-UDWIEESQSA-N -1 0 589.851 5.153 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)c1 ZINC000408893006 1070869577 /nfs/dbraw/zinc/86/95/77/1070869577.db2.gz DQMQWTDWLIPKTA-DEDYPNTBSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)c1C ZINC000408890585 1070881578 /nfs/dbraw/zinc/88/15/78/1070881578.db2.gz VZWMOZXESANAEZ-XDHOZWIPSA-N -1 0 539.813 5.965 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408892084 1070874158 /nfs/dbraw/zinc/87/41/58/1070874158.db2.gz AWGVAZQTIIHYRT-DEDYPNTBSA-N -1 0 541.785 5.357 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)c1C ZINC000408891996 1070875515 /nfs/dbraw/zinc/87/55/15/1070875515.db2.gz WXOCDWHAYZLWKH-DEDYPNTBSA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408891327 1070878729 /nfs/dbraw/zinc/87/87/29/1070878729.db2.gz ORCXSGUFOFUXQV-PXLXIMEGSA-N -1 0 549.421 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408891157 1070879576 /nfs/dbraw/zinc/87/95/76/1070879576.db2.gz MJOOWSSAXJSGNQ-YDZHTSKRSA-N -1 0 518.997 5.909 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(C)cc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409375944 1070889361 /nfs/dbraw/zinc/88/93/61/1070889361.db2.gz RFTBALTUMVDMEW-LPYMAVHISA-N -1 0 565.489 5.739 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000408890279 1070883584 /nfs/dbraw/zinc/88/35/84/1070883584.db2.gz QTJCQQUDLZILCL-RGVLZGJSSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408890321 1070883730 /nfs/dbraw/zinc/88/37/30/1070883730.db2.gz RHVKZGPHWZRLTJ-UNOMPAQXSA-N -1 0 663.331 5.863 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(C)cc4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409376490 1070889752 /nfs/dbraw/zinc/88/97/52/1070889752.db2.gz BDBCZROJFJIRLM-OVVQPSECSA-N -1 0 506.627 6.121 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408889762 1070887578 /nfs/dbraw/zinc/88/75/78/1070887578.db2.gz GXPYCECRTFLIRK-UDWIEESQSA-N -1 0 705.299 5.484 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408889517 1070888886 /nfs/dbraw/zinc/88/88/86/1070888886.db2.gz DMGQIPYPPMCAJN-YBFXNURJSA-N -1 0 587.829 6.194 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)C(=O)[N-]C2=S)cc1 ZINC000409381421 1070898987 /nfs/dbraw/zinc/89/89/87/1070898987.db2.gz GTOHVEIMPSFKIG-KGENOOAVSA-N -1 0 555.881 6.075 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409381971 1070899757 /nfs/dbraw/zinc/89/97/57/1070899757.db2.gz JISIAIFGXVJMLP-FYJGNVAPSA-N -1 0 694.332 5.869 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1 ZINC000409385367 1070903069 /nfs/dbraw/zinc/90/30/69/1070903069.db2.gz IAQADYUTSKTUIA-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccccc1F ZINC000409377898 1070904655 /nfs/dbraw/zinc/90/46/55/1070904655.db2.gz MDJWUDZPVNKBNA-JLPGSUDCSA-N -1 0 644.453 5.851 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000408903093 1070906805 /nfs/dbraw/zinc/90/68/05/1070906805.db2.gz PCOMHQQJXBJVMF-UDWIEESQSA-N -1 0 613.262 5.204 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409388645 1070911041 /nfs/dbraw/zinc/91/10/41/1070911041.db2.gz VYJBCIIWTVDGNG-OQLLNIDSSA-N -1 0 578.836 5.635 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)ccc1Br ZINC000408901673 1070916585 /nfs/dbraw/zinc/91/65/85/1070916585.db2.gz ZNGGUHJMJARTNI-IWIPYMOSSA-N -1 0 634.324 7.227 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408901585 1070919883 /nfs/dbraw/zinc/91/98/83/1070919883.db2.gz YYZFLJHHLQPJBN-WSDLNYQXSA-N -1 0 610.436 5.288 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408901562 1070918744 /nfs/dbraw/zinc/91/87/44/1070918744.db2.gz YUTVENNRLDHUBZ-BWAHOGKJSA-N -1 0 514.578 5.510 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000408901397 1070920703 /nfs/dbraw/zinc/92/07/03/1070920703.db2.gz XSUDCXCLESNDQR-WQRHYEAKSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408901510 1070921818 /nfs/dbraw/zinc/92/18/18/1070921818.db2.gz YHBFWBYEVQQSBS-IWIPYMOSSA-N -1 0 634.324 7.227 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408901237 1070921860 /nfs/dbraw/zinc/92/18/60/1070921860.db2.gz CJNHOZFELWATAL-CIAFOILYSA-N -1 0 568.367 5.383 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408901292 1070922593 /nfs/dbraw/zinc/92/25/93/1070922593.db2.gz WWGIQEXYCNECBT-HMAPJEAMSA-N -1 0 614.290 6.246 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408901088 1070923388 /nfs/dbraw/zinc/92/33/88/1070923388.db2.gz VJMQSVQKMFDQGO-JCMHNJIXSA-N -1 0 567.411 6.013 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000408901334 1070923482 /nfs/dbraw/zinc/92/34/82/1070923482.db2.gz XFSXZCFUFIAJLS-BKUYFWCQSA-N -1 0 509.331 5.142 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408901351 1070923621 /nfs/dbraw/zinc/92/36/21/1070923621.db2.gz XKLBJDGFLXTEAQ-XKZIYDEJSA-N -1 0 646.865 5.987 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408900899 1070927947 /nfs/dbraw/zinc/92/79/47/1070927947.db2.gz YTWKERGICVIOIG-KGENOOAVSA-N -1 0 539.813 5.910 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)ccc1Br ZINC000408901099 1070924486 /nfs/dbraw/zinc/92/44/86/1070924486.db2.gz VMTDZJQXNYSFDJ-WQRHYEAKSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408900784 1070927510 /nfs/dbraw/zinc/92/75/10/1070927510.db2.gz UZNQPJPAHKOMRE-QRVIBDJDSA-N -1 0 709.364 7.421 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 ZINC000408900741 1070929955 /nfs/dbraw/zinc/92/99/55/1070929955.db2.gz UJLORINQNKEODF-KQWNVCNZSA-N -1 0 535.394 5.483 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408900752 1070929980 /nfs/dbraw/zinc/92/99/80/1070929980.db2.gz UNQXVSBSHWXWAI-HAHDFKILSA-N -1 0 567.411 6.013 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408900744 1070930212 /nfs/dbraw/zinc/93/02/12/1070930212.db2.gz UJYQSQCPPSNESM-JLPGSUDCSA-N -1 0 534.996 5.773 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)ccc1Br ZINC000408900502 1070931072 /nfs/dbraw/zinc/93/10/72/1070931072.db2.gz TWWOGNWQBMVREK-IWIPYMOSSA-N -1 0 586.398 6.064 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408900444 1070933644 /nfs/dbraw/zinc/93/36/44/1070933644.db2.gz SNZWVKVQFWHHDE-WSDLNYQXSA-N -1 0 565.985 5.179 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408900134 1070937898 /nfs/dbraw/zinc/93/78/98/1070937898.db2.gz SWEBMGJRJBOQFM-FYJGNVAPSA-N -1 0 691.316 6.097 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408900311 1070936616 /nfs/dbraw/zinc/93/66/16/1070936616.db2.gz VBIHZEPWCKIVTD-HYARGMPZSA-N -1 0 549.421 5.710 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408900063 1070937365 /nfs/dbraw/zinc/93/73/65/1070937365.db2.gz SOAAQDJNNUZPIR-GZTJUZNOSA-N -1 0 681.708 6.351 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408900159 1070937801 /nfs/dbraw/zinc/93/78/01/1070937801.db2.gz RTTJXUJUAANTEM-XYGWBWBKSA-N -1 0 555.428 6.465 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408899588 1070944395 /nfs/dbraw/zinc/94/43/95/1070944395.db2.gz UZGBBURPDDTDCX-JAIQZWGSSA-N -1 0 693.186 6.927 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408899324 1070945023 /nfs/dbraw/zinc/94/50/23/1070945023.db2.gz OKLLBZPDGODXMF-PKAZHMFMSA-N -1 0 676.507 6.877 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408899363 1070945789 /nfs/dbraw/zinc/94/57/89/1070945789.db2.gz OTZAGUVGHPLWKA-JCMHNJIXSA-N -1 0 569.839 6.137 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000408900050 1070941017 /nfs/dbraw/zinc/94/10/17/1070941017.db2.gz WVZDEOZEVBPOMH-ODLFYWEKSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2)C1=O ZINC000408899642 1070942416 /nfs/dbraw/zinc/94/24/16/1070942416.db2.gz VEZXHESRQUQRNL-MOSHPQCFSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)cc1C ZINC000408899734 1070942893 /nfs/dbraw/zinc/94/28/93/1070942893.db2.gz QCVZJFBWLOJFIP-UCQKPKSFSA-N -1 0 519.395 5.620 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 ZINC000408899722 1070942956 /nfs/dbraw/zinc/94/29/56/1070942956.db2.gz QBGDPTMGKYYNNG-HMAPJEAMSA-N -1 0 508.933 5.513 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408899177 1070947076 /nfs/dbraw/zinc/94/70/76/1070947076.db2.gz NWCZRSSJEPKIGJ-WQRHYEAKSA-N -1 0 513.402 5.412 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3Br)ccc3ccccc32)C1=O ZINC000408899215 1070947274 /nfs/dbraw/zinc/94/72/74/1070947274.db2.gz OCEMXMXYSOFCOD-HZHRSRAPSA-N -1 0 575.846 6.810 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)ccc1Br ZINC000408899290 1070947937 /nfs/dbraw/zinc/94/79/37/1070947937.db2.gz OAQFILYWWGBPHO-HAHDFKILSA-N -1 0 620.297 6.919 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000408898785 1070952691 /nfs/dbraw/zinc/95/26/91/1070952691.db2.gz MQNZGECVAPHBKQ-JCMHNJIXSA-N -1 0 522.960 5.903 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408898817 1070952630 /nfs/dbraw/zinc/95/26/30/1070952630.db2.gz MTPRAWPABLHICV-QQXSKIMKSA-N -1 0 668.528 6.731 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408898990 1070951389 /nfs/dbraw/zinc/95/13/89/1070951389.db2.gz YXKQOWWKKHAJAY-RGVLZGJSSA-N -1 0 553.384 5.459 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)ccc1Br ZINC000408899001 1070951498 /nfs/dbraw/zinc/95/14/98/1070951498.db2.gz NVBVYONPOMFDCJ-NDENLUEZSA-N -1 0 543.776 5.795 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000408898864 1070953622 /nfs/dbraw/zinc/95/36/22/1070953622.db2.gz MXXOFUCGDULILA-STZFKDTASA-N -1 0 508.933 5.513 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408898637 1070954209 /nfs/dbraw/zinc/95/42/09/1070954209.db2.gz QOQUODBPRKAWAB-IUXPMGMMSA-N -1 0 624.702 6.972 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408898343 1070956914 /nfs/dbraw/zinc/95/69/14/1070956914.db2.gz LISALTPEACCGJW-XYGWBWBKSA-N -1 0 533.024 6.381 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)c(Cl)c2)C1=O ZINC000408898359 1070957612 /nfs/dbraw/zinc/95/76/12/1070957612.db2.gz LPZAGNYPYDUCHV-UCQKPKSFSA-N -1 0 575.846 6.810 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1 ZINC000408898349 1070957702 /nfs/dbraw/zinc/95/77/02/1070957702.db2.gz LKDFJWXLHHVBMG-USHMODERSA-N -1 0 538.575 6.403 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408898167 1070958196 /nfs/dbraw/zinc/95/81/96/1070958196.db2.gz OYPKFIVBSFZJDT-QRVIBDJDSA-N -1 0 549.421 5.628 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000408898029 1070960788 /nfs/dbraw/zinc/96/07/88/1070960788.db2.gz KQZOBNOCFYECHV-VGSSETLESA-N -1 0 521.795 5.345 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408898018 1070960854 /nfs/dbraw/zinc/96/08/54/1070960854.db2.gz KLZAAOBASBOJRZ-OCKHKDLRSA-N -1 0 730.180 7.313 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(Cl)c4)ccc4ccccc43)C2=O)ccc1Br ZINC000408897905 1070962165 /nfs/dbraw/zinc/96/21/65/1070962165.db2.gz JNZHNIJNINGZEW-IWIPYMOSSA-N -1 0 575.846 6.810 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)cc1 ZINC000408897953 1070962836 /nfs/dbraw/zinc/96/28/36/1070962836.db2.gz JMOKVMDZCZBEOW-PXLXIMEGSA-N -1 0 521.367 5.093 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3Br)C2=O)cc1 ZINC000408897995 1070963888 /nfs/dbraw/zinc/96/38/88/1070963888.db2.gz KEZJEZRKAXYKBO-HAHDFKILSA-N -1 0 565.420 5.492 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408897639 1070965742 /nfs/dbraw/zinc/96/57/42/1070965742.db2.gz SGYJZSYHQSSLQD-XDHOZWIPSA-N -1 0 546.204 6.001 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408897372 1070968498 /nfs/dbraw/zinc/96/84/98/1070968498.db2.gz JBPLHDJZINHTGQ-XYGWBWBKSA-N -1 0 563.050 6.471 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000408908022 1070987063 /nfs/dbraw/zinc/98/70/63/1070987063.db2.gz AKGZKWYAVSMAJK-LICLKQGHSA-N -1 0 517.788 5.822 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408916895 1070996193 /nfs/dbraw/zinc/99/61/93/1070996193.db2.gz ICLKPUOFNBBKOZ-OYKKKHCWSA-N -1 0 561.034 6.441 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000408913564 1071017696 /nfs/dbraw/zinc/01/76/96/1071017696.db2.gz VLTXHIPJGHEECJ-CAOOACKPSA-N -1 0 547.739 5.626 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000408912439 1071024499 /nfs/dbraw/zinc/02/44/99/1071024499.db2.gz GGLGELBIWFPVOX-VEILYXNESA-N -1 0 562.000 7.270 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408911503 1071061265 /nfs/dbraw/zinc/06/12/65/1071061265.db2.gz NRNWENZFVCSYMA-RGVLZGJSSA-N -1 0 586.357 5.074 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408917507 1071147315 /nfs/dbraw/zinc/14/73/15/1071147315.db2.gz VWULLXUOABGESJ-NDENLUEZSA-N -1 0 512.404 5.135 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408934175 1071201840 /nfs/dbraw/zinc/20/18/40/1071201840.db2.gz CSPHXHGUSDGVJS-MFOYZWKCSA-N -1 0 597.746 6.506 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408934198 1071201907 /nfs/dbraw/zinc/20/19/07/1071201907.db2.gz CWRYUEKYRUODAV-BRJLIKDPSA-N -1 0 655.893 7.619 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408934186 1071201938 /nfs/dbraw/zinc/20/19/38/1071201938.db2.gz CTNGJPVGMYQBER-YBFXNURJSA-N -1 0 535.305 6.258 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408937061 1071203877 /nfs/dbraw/zinc/20/38/77/1071203877.db2.gz MGFWQLAFMKSYGM-JMIUGGIZSA-N -1 0 651.863 7.382 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408936822 1071208429 /nfs/dbraw/zinc/20/84/29/1071208429.db2.gz LBVRGGDXXHJDKI-DICXZTSXSA-N -1 0 607.877 7.471 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208681882 1071212344 /nfs/dbraw/zinc/21/23/44/1071212344.db2.gz GOHFAHIBQIPWTJ-UCQKPKSFSA-N -1 0 529.390 5.651 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408935981 1071216031 /nfs/dbraw/zinc/21/60/31/1071216031.db2.gz JIYHRERAVBFRAW-CVKSISIWSA-N -1 0 726.926 7.307 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408935685 1071219159 /nfs/dbraw/zinc/21/91/59/1071219159.db2.gz INPHQGCSARLQQX-YSMPRRRNSA-N -1 0 607.877 7.471 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935591 1071221642 /nfs/dbraw/zinc/22/16/42/1071221642.db2.gz HZWKFOGDNDCSFC-YZSQISJMSA-N -1 0 633.078 5.670 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408935604 1071221692 /nfs/dbraw/zinc/22/16/92/1071221692.db2.gz IBSSPOBGTTZUHO-JVWAILMASA-N -1 0 591.422 6.957 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408935508 1071223380 /nfs/dbraw/zinc/22/33/80/1071223380.db2.gz HNOYQECRZKKTMD-AFUMVMLFSA-N -1 0 621.448 6.966 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408935297 1071224138 /nfs/dbraw/zinc/22/41/38/1071224138.db2.gz COLCZRTWVTVDOE-MTDXEUNCSA-N -1 0 543.535 6.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408934951 1071226674 /nfs/dbraw/zinc/22/66/74/1071226674.db2.gz BUTLAIFXSXYQHH-VXLYETTFSA-N -1 0 586.782 5.265 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408934468 1071234982 /nfs/dbraw/zinc/23/49/82/1071234982.db2.gz AYHLUFKKSHYUKA-YBFXNURJSA-N -1 0 601.207 5.365 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408946784 1071264930 /nfs/dbraw/zinc/26/49/30/1071264930.db2.gz AZHBKCLBDMVNGX-WKULSOCRSA-N -1 0 629.526 7.301 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408946649 1071266446 /nfs/dbraw/zinc/26/64/46/1071266446.db2.gz ATWLHVYIOCIXBY-RPPGKUMJSA-N -1 0 680.426 8.469 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)cc1 ZINC000408946570 1071269238 /nfs/dbraw/zinc/26/92/38/1071269238.db2.gz AOYISFJHAYWMLV-KBVAKVRCSA-N -1 0 589.692 6.147 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408946421 1071269760 /nfs/dbraw/zinc/26/97/60/1071269760.db2.gz AACPZMBTAYRYBR-RPPGKUMJSA-N -1 0 680.426 8.469 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408946614 1071269814 /nfs/dbraw/zinc/26/98/14/1071269814.db2.gz ASQCGCOLOZGEQC-UFFVCSGVSA-N -1 0 650.279 6.339 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408943348 1071292649 /nfs/dbraw/zinc/29/26/49/1071292649.db2.gz SAPJCUKUXDDMMG-VXLYETTFSA-N -1 0 542.331 5.156 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408941563 1071307449 /nfs/dbraw/zinc/30/74/49/1071307449.db2.gz XAZJXBNJEQRYJN-WYMPLXKRSA-N -1 0 655.893 7.619 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408941486 1071308843 /nfs/dbraw/zinc/30/88/43/1071308843.db2.gz WRTFSSBVIPKFSX-YVLHZVERSA-N -1 0 614.201 7.020 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000408940250 1071317669 /nfs/dbraw/zinc/31/76/69/1071317669.db2.gz URKYDZPSAPKUCA-RGXNXFOYSA-N -1 0 589.047 7.318 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2)cc1 ZINC000408939487 1071322619 /nfs/dbraw/zinc/32/26/19/1071322619.db2.gz SSYQUWXRNRROAY-JVWAILMASA-N -1 0 637.497 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408939367 1071323531 /nfs/dbraw/zinc/32/35/31/1071323531.db2.gz RXGWZOYLPVXKAU-DICXZTSXSA-N -1 0 652.328 7.580 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408938826 1071328159 /nfs/dbraw/zinc/32/81/59/1071328159.db2.gz RRIOPSFNZYMNNH-IUXPMGMMSA-N -1 0 583.321 6.405 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408938715 1071329179 /nfs/dbraw/zinc/32/91/79/1071329179.db2.gz RFBRWJUVKATCPF-VULFUBBASA-N -1 0 715.995 7.367 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408938243 1071333458 /nfs/dbraw/zinc/33/34/58/1071333458.db2.gz PPCRVMVQBVCTGG-JAIQZWGSSA-N -1 0 501.753 5.892 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408938137 1071335462 /nfs/dbraw/zinc/33/54/62/1071335462.db2.gz KMHNIFDFLIAJGV-VXLYETTFSA-N -1 0 586.782 5.265 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2Cl)cc1 ZINC000408937309 1071341077 /nfs/dbraw/zinc/34/10/77/1071341077.db2.gz NXZPIHHPXOZHCI-YVLHZVERSA-N -1 0 599.370 5.755 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408937356 1071341429 /nfs/dbraw/zinc/34/14/29/1071341429.db2.gz IYXQXIRRFKQRDK-VXLYETTFSA-N -1 0 542.331 5.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408951097 1071352298 /nfs/dbraw/zinc/35/22/98/1071352298.db2.gz LDJZALGUMCZCQD-ATZGPIRCSA-N -1 0 661.198 8.605 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000408951134 1071353069 /nfs/dbraw/zinc/35/30/69/1071353069.db2.gz LPFWRTDOHWLWFQ-FRKPEAEDSA-N -1 0 712.209 5.009 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408951129 1071353116 /nfs/dbraw/zinc/35/31/16/1071353116.db2.gz LODNPCTZRRFDEO-CCVNUDIWSA-N -1 0 684.587 6.609 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000408951724 1071349973 /nfs/dbraw/zinc/34/99/73/1071349973.db2.gz MNDMQUZHLJJYRN-OKCVXOCRSA-N -1 0 550.630 6.539 40 10 KKCBRM CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408949403 1071360559 /nfs/dbraw/zinc/36/05/59/1071360559.db2.gz HZXXZSZWONOHMZ-KSEXSDGBSA-N -1 0 626.491 5.833 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408950338 1071356243 /nfs/dbraw/zinc/35/62/43/1071356243.db2.gz JHEGGSYPNMUMHI-UVHMKAGCSA-N -1 0 588.535 7.535 40 10 KKCBRM COC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408950288 1071356369 /nfs/dbraw/zinc/35/63/69/1071356369.db2.gz JCOGTODYMGUPKA-LSFURLLWSA-N -1 0 672.370 5.898 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408950320 1071356507 /nfs/dbraw/zinc/35/65/07/1071356507.db2.gz JEUADUXAQFSAQA-SSDVNMTOSA-N -1 0 648.409 5.427 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408950394 1071356790 /nfs/dbraw/zinc/35/67/90/1071356790.db2.gz JSOHWCUWRUDNNN-WSDLNYQXSA-N -1 0 571.383 5.576 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408950389 1071356864 /nfs/dbraw/zinc/35/68/64/1071356864.db2.gz JQJXWLSSECQQDB-IPPBACCNSA-N -1 0 781.485 8.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408949463 1071360673 /nfs/dbraw/zinc/36/06/73/1071360673.db2.gz IDCLYIIVIAUMQU-KEBDBYFISA-N -1 0 579.403 5.130 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408948366 1071366309 /nfs/dbraw/zinc/36/63/09/1071366309.db2.gz FSSJXHDXDNHPGL-CCVNUDIWSA-N -1 0 684.587 6.609 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408948798 1071364185 /nfs/dbraw/zinc/36/41/85/1071364185.db2.gz GXPXBEPXPAKMHX-DPNNOFEESA-N -1 0 569.705 7.382 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408947350 1071372064 /nfs/dbraw/zinc/37/20/64/1071372064.db2.gz CCWNPIKLPWQZFK-WKULSOCRSA-N -1 0 698.614 7.000 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000408947845 1071368547 /nfs/dbraw/zinc/36/85/47/1071368547.db2.gz DGFDFRNZVOELTE-OKCVXOCRSA-N -1 0 550.630 6.539 40 10 KKCBRM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)c1 ZINC000408956884 1071373851 /nfs/dbraw/zinc/37/38/51/1071373851.db2.gz ZAXKHUWKMSGMDX-LQKURTRISA-N -1 0 519.645 6.228 40 10 KKCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O ZINC000408956941 1071374805 /nfs/dbraw/zinc/37/48/05/1071374805.db2.gz ZHZXRTNXADADST-LSHDLFTRSA-N -1 0 506.986 5.188 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408956461 1071377552 /nfs/dbraw/zinc/37/75/52/1071377552.db2.gz WZLBIALNIJRGNT-MUFRIFMGSA-N -1 0 577.637 6.308 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408955842 1071381372 /nfs/dbraw/zinc/38/13/72/1071381372.db2.gz UUHINSVUOHSDTP-VTNSRFBWSA-N -1 0 614.702 7.040 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408955904 1071382104 /nfs/dbraw/zinc/38/21/04/1071382104.db2.gz VCIGYCUOYAVTDY-BHGWPJFGSA-N -1 0 549.067 6.270 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408956467 1071378155 /nfs/dbraw/zinc/37/81/55/1071378155.db2.gz XDBNGUWBOSTPAI-FZSIALSZSA-N -1 0 669.109 6.493 40 10 KKCBRM COC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408955401 1071383538 /nfs/dbraw/zinc/38/35/38/1071383538.db2.gz UKLMYJCIQZUQCD-LSFURLLWSA-N -1 0 627.919 5.789 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000408695410 1071384408 /nfs/dbraw/zinc/38/44/08/1071384408.db2.gz UFAUPPCVVUTTHD-HZHRSRAPSA-N -1 0 519.395 5.586 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408955179 1071386773 /nfs/dbraw/zinc/38/67/73/1071386773.db2.gz TVVYAVKQRKPLLD-UVHMKAGCSA-N -1 0 616.531 7.130 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408694716 1071387010 /nfs/dbraw/zinc/38/70/10/1071387010.db2.gz LVXDMSWTPZXCEX-WOJGMQOQSA-N -1 0 594.833 5.327 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000408693444 1071391935 /nfs/dbraw/zinc/39/19/35/1071391935.db2.gz UUZCAVVEUCONED-UHFFFAOYSA-N -1 0 513.015 5.007 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408692760 1071393095 /nfs/dbraw/zinc/39/30/95/1071393095.db2.gz UOWVDLGHMWEHAS-VCHYOVAHSA-N -1 0 533.806 5.095 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408692980 1071393502 /nfs/dbraw/zinc/39/35/02/1071393502.db2.gz ZZPLTGKFXNRLJA-YVLHZVERSA-N -1 0 533.806 5.095 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408953968 1071393364 /nfs/dbraw/zinc/39/33/64/1071393364.db2.gz QSAKWENEDPCAMM-KBVAKVRCSA-N -1 0 590.720 7.107 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408954727 1071389371 /nfs/dbraw/zinc/38/93/71/1071389371.db2.gz SJBCDDUFPQNIDH-IPPBACCNSA-N -1 0 828.485 8.008 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408954766 1071389541 /nfs/dbraw/zinc/38/95/41/1071389541.db2.gz SLMFFCFSKUPRBG-WKULSOCRSA-N -1 0 607.663 6.317 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408693862 1071390233 /nfs/dbraw/zinc/39/02/33/1071390233.db2.gz AAQJEHRTOXETHD-LICLKQGHSA-N -1 0 582.278 6.138 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408954572 1071390786 /nfs/dbraw/zinc/39/07/86/1071390786.db2.gz ROAKZWFGCMTCII-FRKPEAEDSA-N -1 0 545.762 5.621 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692522 1071394721 /nfs/dbraw/zinc/39/47/21/1071394721.db2.gz OJMXRGNRFCBBSX-RQZCQDPDSA-N -1 0 582.278 6.138 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408692388 1071395610 /nfs/dbraw/zinc/39/56/10/1071395610.db2.gz LJWJJYABOIBDRE-WOJGMQOQSA-N -1 0 548.231 5.195 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408692421 1071395691 /nfs/dbraw/zinc/39/56/91/1071395691.db2.gz MENHYCFYGNXBJR-GZTJUZNOSA-N -1 0 503.780 5.086 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000408692236 1071396164 /nfs/dbraw/zinc/39/61/64/1071396164.db2.gz IAWVAKJEGCZHIJ-DIBXZPPDSA-N -1 0 536.031 6.869 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408692005 1071396534 /nfs/dbraw/zinc/39/65/34/1071396534.db2.gz BDOKPLNBPMNGHA-RQZCQDPDSA-N -1 0 585.225 5.581 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408953338 1071397851 /nfs/dbraw/zinc/39/78/51/1071397851.db2.gz PWSRZQOLPGNRFD-RWPZCVJISA-N -1 0 645.981 7.816 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000408966408 1071410254 /nfs/dbraw/zinc/41/02/54/1071410254.db2.gz MQFUSMCJJJJYGY-XNTDXEJSSA-N -1 0 505.752 5.333 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408964538 1071417846 /nfs/dbraw/zinc/41/78/46/1071417846.db2.gz DDJQUYFQJGHBQF-ONUIUJJFSA-N -1 0 656.964 8.198 40 10 KKCBRM CCCCCCOc1ccc(OCCOc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2)cc1 ZINC000408963439 1071422271 /nfs/dbraw/zinc/42/22/71/1071422271.db2.gz CVKQHDYMDMXNHP-SLMZUGIISA-N -1 0 528.605 5.770 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408959828 1071435210 /nfs/dbraw/zinc/43/52/10/1071435210.db2.gz GLMZXUOOJLCSJI-ONUIUJJFSA-N -1 0 536.609 6.318 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCCOc1ccccc1C ZINC000408972140 1071451081 /nfs/dbraw/zinc/45/10/81/1071451081.db2.gz SPPQVRPCYIZQRA-XYGWBWBKSA-N -1 0 535.643 5.956 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408970812 1071454403 /nfs/dbraw/zinc/45/44/03/1071454403.db2.gz KPQDATXMEXOXKX-NHDPSOOVSA-N -1 0 529.998 6.171 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408968287 1071462144 /nfs/dbraw/zinc/46/21/44/1071462144.db2.gz XWGAYBDXNIWQKJ-PXNMLYILSA-N -1 0 522.816 6.025 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408968285 1071462244 /nfs/dbraw/zinc/46/22/44/1071462244.db2.gz XVUCBOOSCLEHIH-FYJGNVAPSA-N -1 0 503.986 5.871 40 10 KKCBRM COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1 ZINC000408967839 1071464311 /nfs/dbraw/zinc/46/43/11/1071464311.db2.gz VFLDFEBAAWZEDQ-RQZCQDPDSA-N -1 0 546.407 5.158 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1 ZINC000408986078 1071493044 /nfs/dbraw/zinc/49/30/44/1071493044.db2.gz ZJKMGDSPTRAZIZ-BKUYFWCQSA-N -1 0 586.813 5.752 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000408986106 1071493127 /nfs/dbraw/zinc/49/31/27/1071493127.db2.gz ZOUOLGWIHKPPGH-JAIQZWGSSA-N -1 0 529.807 6.455 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408985754 1071496158 /nfs/dbraw/zinc/49/61/58/1071496158.db2.gz YKYMFOCPISVMPT-OCKHKDLRSA-N -1 0 573.802 5.804 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408985377 1071500528 /nfs/dbraw/zinc/50/05/28/1071500528.db2.gz WQRMTYOEPAMZJT-XKZIYDEJSA-N -1 0 504.970 5.465 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408985380 1071500557 /nfs/dbraw/zinc/50/05/57/1071500557.db2.gz WQTSZRHVPSYOHD-CFRMEGHHSA-N -1 0 666.899 7.050 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408984552 1071508784 /nfs/dbraw/zinc/50/87/84/1071508784.db2.gz RWECMYFQYRBXDS-WSVATBPTSA-N -1 0 580.251 6.863 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408984840 1071506202 /nfs/dbraw/zinc/50/62/02/1071506202.db2.gz SYMSFYJISJZUQT-OYKKKHCWSA-N -1 0 526.976 6.056 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408984847 1071506223 /nfs/dbraw/zinc/50/62/23/1071506223.db2.gz TUICETPUNHKKTD-BKUYFWCQSA-N -1 0 567.411 5.795 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408984622 1071507069 /nfs/dbraw/zinc/50/70/69/1071507069.db2.gz SFQNIXSTWIIMHB-CFRMEGHHSA-N -1 0 575.448 7.099 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(=O)[O-])c(Cl)c4)C3=O)o2)cc1 ZINC000408984679 1071507602 /nfs/dbraw/zinc/50/76/02/1071507602.db2.gz JBYVZBQYSPOCIG-RCCKNPSSSA-N -1 0 525.944 6.556 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1 ZINC000408984446 1071508082 /nfs/dbraw/zinc/50/80/82/1071508082.db2.gz REUNBYJPYWGVGF-JAIQZWGSSA-N -1 0 621.258 6.406 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1Cl ZINC000408984492 1071508367 /nfs/dbraw/zinc/50/83/67/1071508367.db2.gz RMNWKCCAXKKXOR-UUYOSTAYSA-N -1 0 514.925 5.226 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408984362 1071509612 /nfs/dbraw/zinc/50/96/12/1071509612.db2.gz QDDQGEQHQAUZDS-OCKHKDLRSA-N -1 0 634.708 6.427 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408984159 1071510200 /nfs/dbraw/zinc/51/02/00/1071510200.db2.gz PWOVKGNOFJQWNN-HMAPJEAMSA-N -1 0 504.970 5.547 40 10 KKCBRM CC1=CC(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408984403 1071510233 /nfs/dbraw/zinc/51/02/33/1071510233.db2.gz QNAFBZOKIDWACZ-VPHSIRQSSA-N -1 0 539.031 6.797 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408983712 1071514582 /nfs/dbraw/zinc/51/45/82/1071514582.db2.gz HEONQTMGJTWQIT-LSCVHKIXSA-N -1 0 622.672 6.558 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408984060 1071512619 /nfs/dbraw/zinc/51/26/19/1071512619.db2.gz PNUGWKKPNDXFCR-JMIUGGIZSA-N -1 0 651.284 6.551 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408983622 1071515707 /nfs/dbraw/zinc/51/57/07/1071515707.db2.gz GWARITICBZYTDZ-MTJSOVHGSA-N -1 0 535.940 5.201 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408983638 1071515798 /nfs/dbraw/zinc/51/57/98/1071515798.db2.gz MZKPVVYTLODXNE-XKZIYDEJSA-N -1 0 567.411 5.795 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1Cl ZINC000408983649 1071515998 /nfs/dbraw/zinc/51/59/98/1071515998.db2.gz NASMCINAWOWKIT-LSCVHKIXSA-N -1 0 686.127 6.914 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Cl)cc4)cc3Br)C2=O)cc1 ZINC000408983443 1071516361 /nfs/dbraw/zinc/51/63/61/1071516361.db2.gz MEKIWOJVDPBHFT-MTJSOVHGSA-N -1 0 569.839 5.919 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408983679 1071516614 /nfs/dbraw/zinc/51/66/14/1071516614.db2.gz NJZQBNOXCOAIHG-NVMNQCDNSA-N -1 0 620.802 5.646 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)C2=O)cc1 ZINC000408983460 1071516731 /nfs/dbraw/zinc/51/67/31/1071516731.db2.gz MGFDBNJXWZURGL-OYKKKHCWSA-N -1 0 545.422 6.954 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1 ZINC000408983278 1071518135 /nfs/dbraw/zinc/51/81/35/1071518135.db2.gz LCNAXJTXCZXADE-OYKKKHCWSA-N -1 0 681.324 7.015 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1 ZINC000408983145 1071518814 /nfs/dbraw/zinc/51/88/14/1071518814.db2.gz KYFVBMMJMDJEQK-JAIQZWGSSA-N -1 0 710.160 6.624 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C(=O)[O-])c4C)C3=O)o2)cc1 ZINC000408983358 1071518878 /nfs/dbraw/zinc/51/88/78/1071518878.db2.gz BGFBYMHNDCGGPV-HAVVHWLPSA-N -1 0 505.526 6.211 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1 ZINC000408983368 1071519165 /nfs/dbraw/zinc/51/91/65/1071519165.db2.gz LQAAKSBHVLXYTJ-OCKHKDLRSA-N -1 0 700.154 7.168 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408982451 1071525968 /nfs/dbraw/zinc/52/59/68/1071525968.db2.gz HBKRWTBSMQEDRR-XKZIYDEJSA-N -1 0 522.960 5.686 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408982549 1071524530 /nfs/dbraw/zinc/52/45/30/1071524530.db2.gz HOMMITGQDZKDTL-LSCVHKIXSA-N -1 0 560.777 6.109 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723445 1071528273 /nfs/dbraw/zinc/52/82/73/1071528273.db2.gz UZTYICZLRTXVBA-SRZZPIQSSA-N -1 0 689.358 7.170 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4cccc(F)c4)cc3Br)C2=O)cc1 ZINC000408982090 1071529915 /nfs/dbraw/zinc/52/99/15/1071529915.db2.gz FOYRUHDLZQNRSO-MTJSOVHGSA-N -1 0 553.384 5.405 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723024 1071530351 /nfs/dbraw/zinc/53/03/51/1071530351.db2.gz PQRYRBBCRHJLNQ-ZVHZXABRSA-N -1 0 668.940 6.907 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)cc1Cl ZINC000408981429 1071534269 /nfs/dbraw/zinc/53/42/69/1071534269.db2.gz BDVBCLHWBRBSPN-IUXPMGMMSA-N -1 0 641.676 6.805 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408981329 1071535658 /nfs/dbraw/zinc/53/56/58/1071535658.db2.gz AIOZVKKCLQXQLW-IDUWFGFVSA-N -1 0 671.702 6.814 40 10 KKCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408994643 1071557861 /nfs/dbraw/zinc/55/78/61/1071557861.db2.gz GXJOXOMBYNSSJO-RGVLZGJSSA-N -1 0 664.237 5.979 40 10 KKCBRM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993843 1071562639 /nfs/dbraw/zinc/56/26/39/1071562639.db2.gz XFQPYCOIPQQBCX-MQXQUQPRSA-N -1 0 669.766 5.867 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408993082 1071567138 /nfs/dbraw/zinc/56/71/38/1071567138.db2.gz CAUNJONWTUJILF-VGOFMYFVSA-N -1 0 724.016 8.079 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408992626 1071570668 /nfs/dbraw/zinc/57/06/68/1071570668.db2.gz AQOHXDPYYPQKQE-SXDGJLEOSA-N -1 0 555.121 6.470 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408992569 1071572202 /nfs/dbraw/zinc/57/22/02/1071572202.db2.gz SLGSRHLSNQNDQM-CIAFOILYSA-N -1 0 720.641 8.055 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408991998 1071576615 /nfs/dbraw/zinc/57/66/15/1071576615.db2.gz PSKGWOWCHKILQE-HYARGMPZSA-N -1 0 672.169 7.093 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991637 1071578468 /nfs/dbraw/zinc/57/84/68/1071578468.db2.gz OQJXUPRSQRPASE-MFKUBSTISA-N -1 0 679.805 7.365 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5ccc(C)c(Cl)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408991334 1071581629 /nfs/dbraw/zinc/58/16/29/1071581629.db2.gz NLDYWUZNMPPTHT-VCHYOVAHSA-N -1 0 611.126 6.548 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408991051 1071583605 /nfs/dbraw/zinc/58/36/05/1071583605.db2.gz YUTZBICOIGUHKF-CIAFOILYSA-N -1 0 616.839 5.761 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408991053 1071583649 /nfs/dbraw/zinc/58/36/49/1071583649.db2.gz MMEVDCNYSXOYQX-WSDLNYQXSA-N -1 0 720.641 8.055 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408990844 1071586819 /nfs/dbraw/zinc/58/68/19/1071586819.db2.gz OMQGZCZBTDEWDX-JCMHNJIXSA-N -1 0 505.368 5.257 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)[N-]C2=S)c1 ZINC000408990304 1071589650 /nfs/dbraw/zinc/58/96/50/1071589650.db2.gz KJIMOOIDQFBOPH-HZHRSRAPSA-N -1 0 636.736 6.289 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 ZINC000408990222 1071591549 /nfs/dbraw/zinc/59/15/49/1071591549.db2.gz JYKPCLGTVTWGMD-MHWRWJLKSA-N -1 0 563.598 5.095 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C2=O)cc1Cl ZINC000408989877 1071593337 /nfs/dbraw/zinc/59/33/37/1071593337.db2.gz VLIKEADPHXDXCA-MTDXEUNCSA-N -1 0 603.034 7.348 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408988996 1071599469 /nfs/dbraw/zinc/59/94/69/1071599469.db2.gz GIZSJYFLULYOJL-LICLKQGHSA-N -1 0 577.625 5.404 40 10 KKCBRM CCOc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000408988613 1071603656 /nfs/dbraw/zinc/60/36/56/1071603656.db2.gz IOBHJODCSUVWFB-UHFFFAOYSA-N -1 0 599.492 6.221 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408739815 1071601414 /nfs/dbraw/zinc/60/14/14/1071601414.db2.gz ASMLJQZQYIBZBF-DJKKODMXSA-N -1 0 606.325 6.483 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408739834 1071601422 /nfs/dbraw/zinc/60/14/22/1071601422.db2.gz GAXGFJQMZNQPHJ-VCHYOVAHSA-N -1 0 729.106 5.904 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408739769 1071601443 /nfs/dbraw/zinc/60/14/43/1071601443.db2.gz AGZNOFACTYLZDQ-NDENLUEZSA-N -1 0 634.337 5.909 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408739786 1071601586 /nfs/dbraw/zinc/60/15/86/1071601586.db2.gz FRKUFZOQUXULSG-WOJGMQOQSA-N -1 0 650.210 5.141 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408739641 1071602224 /nfs/dbraw/zinc/60/22/24/1071602224.db2.gz DNUBBYBFPNEZSV-HFTWOUSFSA-N -1 0 509.565 6.478 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5cccc(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988094 1071606707 /nfs/dbraw/zinc/60/67/07/1071606707.db2.gz CMXVRNUYPLKWBD-XDHOZWIPSA-N -1 0 576.681 5.894 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408988370 1071606752 /nfs/dbraw/zinc/60/67/52/1071606752.db2.gz QOPSAZAWIINKAT-MFKUBSTISA-N -1 0 585.454 6.419 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C2=O)cc1C ZINC000408988140 1071607161 /nfs/dbraw/zinc/60/71/61/1071607161.db2.gz CWJIONGCTUETOL-HZHRSRAPSA-N -1 0 620.668 6.124 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(I)cc3)C2=O)cc1 ZINC000408987674 1071610278 /nfs/dbraw/zinc/61/02/78/1071610278.db2.gz GHTUIELHKCBURP-HMAPJEAMSA-N -1 0 631.264 5.862 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccccc4)o3)C2=O)cc1 ZINC000408996624 1071617021 /nfs/dbraw/zinc/61/70/21/1071617021.db2.gz JJIFSQVJYFYBGL-LDADJPATSA-N -1 0 513.369 5.258 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[N-]C1=S ZINC000408743668 1071617919 /nfs/dbraw/zinc/61/79/19/1071617919.db2.gz WWYBCMULAYNVAE-MHWRWJLKSA-N -1 0 536.234 6.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1 ZINC000408742729 1071620136 /nfs/dbraw/zinc/62/01/36/1071620136.db2.gz SJDSKSBFXRTSHI-KGENOOAVSA-N -1 0 551.462 5.567 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408742661 1071621182 /nfs/dbraw/zinc/62/11/82/1071621182.db2.gz RVWGTYMYMCYYDJ-VXLYETTFSA-N -1 0 590.268 5.761 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(OCC)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408741300 1071626690 /nfs/dbraw/zinc/62/66/90/1071626690.db2.gz IGEYADVHRGKEQR-JDCMOKTRSA-N -1 0 597.671 7.275 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408741038 1071627744 /nfs/dbraw/zinc/62/77/44/1071627744.db2.gz JNISBVHBGLCXRO-DEDYPNTBSA-N -1 0 507.409 5.168 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408740941 1071627762 /nfs/dbraw/zinc/62/77/62/1071627762.db2.gz FJCJDQPXTWCNNZ-WEMUVCOSSA-N -1 0 581.672 7.493 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)C(=O)[N-]C1=S ZINC000408741885 1071623421 /nfs/dbraw/zinc/62/34/21/1071623421.db2.gz OHFMWYOXPCCUCC-YKQPFYATSA-N -1 0 521.396 5.710 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408741755 1071624567 /nfs/dbraw/zinc/62/45/67/1071624567.db2.gz RWSBAZBQDXCTGB-CIAFOILYSA-N -1 0 567.461 5.267 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741738 1071624595 /nfs/dbraw/zinc/62/45/95/1071624595.db2.gz RTSLHBZHKRIOPM-DEDYPNTBSA-N -1 0 521.367 5.093 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741436 1071625732 /nfs/dbraw/zinc/62/57/32/1071625732.db2.gz LYTHAXDWJVFMPO-VXLYETTFSA-N -1 0 602.304 5.631 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)c1C)CCCC2 ZINC000408740699 1071629042 /nfs/dbraw/zinc/62/90/42/1071629042.db2.gz DJILZODIGONNNW-PXLXIMEGSA-N -1 0 547.702 5.351 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408740550 1071629678 /nfs/dbraw/zinc/62/96/78/1071629678.db2.gz CAZJMUFMBJRONU-YZSQISJMSA-N -1 0 538.585 5.820 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408740379 1071630228 /nfs/dbraw/zinc/63/02/28/1071630228.db2.gz FXCYHWQBCSTHOE-DJKKODMXSA-N -1 0 576.230 6.010 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)c1 ZINC000408740211 1071630734 /nfs/dbraw/zinc/63/07/34/1071630734.db2.gz ANYPJLJERDHRLR-YUMHPJSZSA-N -1 0 568.611 5.829 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408740161 1071632009 /nfs/dbraw/zinc/63/20/09/1071632009.db2.gz DQWTYQSEIFCBSM-GIJQJNRQSA-N -1 0 683.749 6.126 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(I)c3)C2=O)ccc1Br ZINC000408756348 1071639354 /nfs/dbraw/zinc/63/93/54/1071639354.db2.gz URANKTNTEAPIKC-YBFXNURJSA-N -1 0 696.133 6.370 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)cc3)C2=O)ccc1Br ZINC000408756904 1071635297 /nfs/dbraw/zinc/63/52/97/1071635297.db2.gz YFEMGSKWHFOJIS-FYJGNVAPSA-N -1 0 617.237 5.608 40 10 KKCBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1C ZINC000408756200 1071639995 /nfs/dbraw/zinc/63/99/95/1071639995.db2.gz YBVGXXMWTMGHJL-UDWIEESQSA-N -1 0 584.492 5.687 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)ccc1Br ZINC000408756616 1071637226 /nfs/dbraw/zinc/63/72/26/1071637226.db2.gz SVGFXOBVNQQHMX-YBFXNURJSA-N -1 0 588.227 5.905 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408755668 1071642141 /nfs/dbraw/zinc/64/21/41/1071642141.db2.gz SAQPPFMOSVOMTO-OFWBYEQRSA-N -1 0 674.551 7.725 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408755694 1071642643 /nfs/dbraw/zinc/64/26/43/1071642643.db2.gz LZDSNRSPOWIOJM-BUVRLJJBSA-N -1 0 571.427 6.165 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000409000148 1071651083 /nfs/dbraw/zinc/65/10/83/1071651083.db2.gz DWHMNGHYYWVQCG-GZTJUZNOSA-N -1 0 515.410 5.033 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)ccc1Br ZINC000408754842 1071648853 /nfs/dbraw/zinc/64/88/53/1071648853.db2.gz OOHKCZVJINATEE-FYJGNVAPSA-N -1 0 570.237 5.765 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)ccc1Br ZINC000408754298 1071652838 /nfs/dbraw/zinc/65/28/38/1071652838.db2.gz MIQNLDKBBKJQDI-RQZCQDPDSA-N -1 0 777.578 6.866 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408754081 1071653280 /nfs/dbraw/zinc/65/32/80/1071653280.db2.gz IJSQOZCBYKRELP-GIJQJNRQSA-N -1 0 638.729 7.362 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)ccc1Br ZINC000408753202 1071659210 /nfs/dbraw/zinc/65/92/10/1071659210.db2.gz IPHZVYQTLMXPLO-WOJGMQOQSA-N -1 0 604.682 6.419 40 10 KKCBRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408753313 1071660381 /nfs/dbraw/zinc/66/03/81/1071660381.db2.gz LVEZSJKZVNMPHD-HYARGMPZSA-N -1 0 506.400 5.394 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408751729 1071668539 /nfs/dbraw/zinc/66/85/39/1071668539.db2.gz BYEQTDNCSULOFY-QRVIBDJDSA-N -1 0 652.364 6.784 40 10 KKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408751765 1071669063 /nfs/dbraw/zinc/66/90/63/1071669063.db2.gz CDGHNEBATCLOCN-CPNJWEJPSA-N -1 0 537.822 6.850 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409009383 1071696630 /nfs/dbraw/zinc/69/66/30/1071696630.db2.gz FAIHOYULIWHVIU-JFLMPSFJSA-N -1 0 606.531 6.820 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)ccc1Br ZINC000408759298 1071702500 /nfs/dbraw/zinc/70/25/00/1071702500.db2.gz BRQBBCGLZDNKNN-MHWRWJLKSA-N -1 0 530.718 5.246 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408759253 1071702569 /nfs/dbraw/zinc/70/25/69/1071702569.db2.gz AOMKNWLJAVWBGL-VXLYETTFSA-N -1 0 634.708 6.427 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408758890 1071703067 /nfs/dbraw/zinc/70/30/67/1071703067.db2.gz UBJCDQDVCUSCCJ-VCHYOVAHSA-N -1 0 683.180 7.471 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000408759178 1071701886 /nfs/dbraw/zinc/70/18/86/1071701886.db2.gz ZDQINDTZRDZLSM-UDWIEESQSA-N -1 0 615.234 5.674 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408759231 1071702068 /nfs/dbraw/zinc/70/20/68/1071702068.db2.gz ADTWEJOFIQTEMH-GIJQJNRQSA-N -1 0 686.127 6.914 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408758455 1071705052 /nfs/dbraw/zinc/70/50/52/1071705052.db2.gz KFYBXZZSTLELNY-RGVLZGJSSA-N -1 0 740.186 6.769 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)c(Br)c1 ZINC000408758290 1071705533 /nfs/dbraw/zinc/70/55/33/1071705533.db2.gz IIOLVIKYRKBHQS-BOPFTXTBSA-N -1 0 544.199 5.755 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)ccc1Br ZINC000408757809 1071710614 /nfs/dbraw/zinc/71/06/14/1071710614.db2.gz CLAGSRCXNCRPKU-REZTVBANSA-N -1 0 812.023 7.519 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409024330 1071712247 /nfs/dbraw/zinc/71/22/47/1071712247.db2.gz QQCYUANGIPWULI-JFLMPSFJSA-N -1 0 604.501 6.406 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408766968 1071716709 /nfs/dbraw/zinc/71/67/09/1071716709.db2.gz UJPVXENHSFZHPB-DJKKODMXSA-N -1 0 683.180 7.471 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000408766622 1071718269 /nfs/dbraw/zinc/71/82/69/1071718269.db2.gz VZDCBIRPTIVJTP-LDADJPATSA-N -1 0 557.242 5.594 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408766479 1071719498 /nfs/dbraw/zinc/71/94/98/1071719498.db2.gz RIDNHMUMRVSHPY-VXLYETTFSA-N -1 0 665.253 5.755 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408765536 1071723648 /nfs/dbraw/zinc/72/36/48/1071723648.db2.gz YJCYECSKDZOEBZ-LFVJCYFKSA-N -1 0 534.454 6.174 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(I)c3)C2=O)ccc1Br ZINC000408765502 1071723740 /nfs/dbraw/zinc/72/37/40/1071723740.db2.gz XXCCDSTUEOWNCV-YBFXNURJSA-N -1 0 635.227 5.747 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000409019948 1071727895 /nfs/dbraw/zinc/72/78/95/1071727895.db2.gz LAXJSGBJWCBCCZ-BVTUPMQUSA-N -1 0 507.837 5.420 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)ccc1Br ZINC000408764308 1071728650 /nfs/dbraw/zinc/72/86/50/1071728650.db2.gz SVYIZCKVELGUPV-GIJQJNRQSA-N -1 0 614.246 5.494 40 10 KKCBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1C ZINC000408763555 1071731383 /nfs/dbraw/zinc/73/13/83/1071731383.db2.gz GBPPXWHVHONAHM-KGENOOAVSA-N -1 0 506.400 5.394 40 10 KKCBRM O=C(Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408763632 1071731886 /nfs/dbraw/zinc/73/18/86/1071731886.db2.gz PZHHHUDITPDHAT-UYRXBGFRSA-N -1 0 549.439 5.418 40 10 KKCBRM O=C(Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408762312 1071736329 /nfs/dbraw/zinc/73/63/29/1071736329.db2.gz OAVZVJBQSLXZSU-NDENLUEZSA-N -1 0 533.371 5.253 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)ccc1Br ZINC000408763083 1071734132 /nfs/dbraw/zinc/73/41/32/1071734132.db2.gz RDDDHXSDWYWIQK-LPYMAVHISA-N -1 0 559.376 5.335 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408761505 1071739505 /nfs/dbraw/zinc/73/95/05/1071739505.db2.gz FHMFAAANYYLBJN-RGVLZGJSSA-N -1 0 679.280 6.145 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c3ccccc32)c1 ZINC000408761490 1071739927 /nfs/dbraw/zinc/73/99/27/1071739927.db2.gz GATLCCIWFAGDLD-OEAKJJBVSA-N -1 0 528.406 5.735 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(I)c3)C2=O)cc1 ZINC000408770685 1071741703 /nfs/dbraw/zinc/74/17/03/1071741703.db2.gz AKIKMMIVLPANKO-RGVLZGJSSA-N -1 0 678.264 5.758 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408776972 1071747910 /nfs/dbraw/zinc/74/79/10/1071747910.db2.gz UACRJAVXWRZAPO-RGVLZGJSSA-N -1 0 616.331 5.939 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408776277 1071749971 /nfs/dbraw/zinc/74/99/71/1071749971.db2.gz YBTHQLZNTFYDPU-GIJQJNRQSA-N -1 0 682.652 5.861 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1 ZINC000408775062 1071757993 /nfs/dbraw/zinc/75/79/93/1071757993.db2.gz YJSAYPUSDKXSKP-DEDYPNTBSA-N -1 0 558.759 5.190 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408775082 1071756452 /nfs/dbraw/zinc/75/64/52/1071756452.db2.gz YRVLDVGQDHKEPN-HNSNBQBZSA-N -1 0 604.751 6.065 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408774214 1071761703 /nfs/dbraw/zinc/76/17/03/1071761703.db2.gz BDFRAURRGOUNBK-WGOQTCKBSA-N -1 0 627.635 5.933 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408774270 1071762337 /nfs/dbraw/zinc/76/23/37/1071762337.db2.gz YSHDABJSIKFHDH-VCHYOVAHSA-N -1 0 594.236 5.980 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408774914 1071758935 /nfs/dbraw/zinc/75/89/35/1071758935.db2.gz YSYVWRODOHMFMO-ZVHZXABRSA-N -1 0 605.872 6.900 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408773734 1071766326 /nfs/dbraw/zinc/76/63/26/1071766326.db2.gz LVDKJBUPKNUACM-FRKPEAEDSA-N -1 0 706.545 7.259 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408773149 1071770106 /nfs/dbraw/zinc/77/01/06/1071770106.db2.gz PKEJUYDACRILBS-CXUHLZMHSA-N -1 0 610.675 6.663 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000408772759 1071771124 /nfs/dbraw/zinc/77/11/24/1071771124.db2.gz QZKDHSSHXGABIC-WSDLNYQXSA-N -1 0 551.813 7.045 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408772800 1071771665 /nfs/dbraw/zinc/77/16/65/1071771665.db2.gz FTGIFHIVJFVKAF-CAOOACKPSA-N -1 0 646.834 5.282 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408772163 1071774509 /nfs/dbraw/zinc/77/45/09/1071774509.db2.gz BUHNDUAPLPMEBM-SRZZPIQSSA-N -1 0 661.290 5.925 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408772234 1071775146 /nfs/dbraw/zinc/77/51/46/1071775146.db2.gz FLZBPQMKXVWKJF-WKULSOCRSA-N -1 0 570.158 7.047 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771476 1071780081 /nfs/dbraw/zinc/78/00/81/1071780081.db2.gz GROFNWJULKIPHW-GIJQJNRQSA-N -1 0 668.806 6.674 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408771809 1071778436 /nfs/dbraw/zinc/77/84/36/1071778436.db2.gz KIEARFOVKHHYAN-FYJGNVAPSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408771852 1071778932 /nfs/dbraw/zinc/77/89/32/1071778932.db2.gz IRLQHHBNWAFELM-RQZCQDPDSA-N -1 0 678.779 5.618 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408771315 1071781166 /nfs/dbraw/zinc/78/11/66/1071781166.db2.gz FUOJOXUHMDGOBX-IPPBACCNSA-N -1 0 614.609 7.156 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408771104 1071783292 /nfs/dbraw/zinc/78/32/92/1071783292.db2.gz CIQNNRBLEJXNPP-REZTVBANSA-N -1 0 570.643 7.199 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408770984 1071784418 /nfs/dbraw/zinc/78/44/18/1071784418.db2.gz BPPFRQIJOCUZQS-SRZZPIQSSA-N -1 0 646.357 6.029 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408770799 1071784913 /nfs/dbraw/zinc/78/49/13/1071784913.db2.gz AAEFVCHYFYLLPM-GIJQJNRQSA-N -1 0 729.652 5.703 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408771475 1071780163 /nfs/dbraw/zinc/78/01/63/1071780163.db2.gz HFPRWCBBANKDNR-GIJQJNRQSA-N -1 0 615.864 5.682 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408769468 1071792871 /nfs/dbraw/zinc/79/28/71/1071792871.db2.gz VRIDXCDVCSOOAN-RGVLZGJSSA-N -1 0 618.311 7.017 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408768488 1071801588 /nfs/dbraw/zinc/80/15/88/1071801588.db2.gz XDUGHQAMUCNAIU-VCHYOVAHSA-N -1 0 580.209 5.672 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c1C)CCCC2 ZINC000408768145 1071803503 /nfs/dbraw/zinc/80/35/03/1071803503.db2.gz UCIURWYJZSSIHN-WOJGMQOQSA-N -1 0 588.538 5.959 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408782013 1071813640 /nfs/dbraw/zinc/81/36/40/1071813640.db2.gz VDJXWNFYTISTDO-SRZZPIQSSA-N -1 0 616.839 5.815 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408782023 1071813773 /nfs/dbraw/zinc/81/37/73/1071813773.db2.gz FJFSMBUDHKTKKC-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409038106 1071817600 /nfs/dbraw/zinc/81/76/00/1071817600.db2.gz ZNRADSKMYZMEDU-FBHDLOMBSA-N -1 0 550.496 5.982 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408780783 1071821916 /nfs/dbraw/zinc/82/19/16/1071821916.db2.gz KJEFMHKSEZIKBI-UDWIEESQSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408781494 1071818829 /nfs/dbraw/zinc/81/88/29/1071818829.db2.gz SYYYXRXDPPKJAO-VXLYETTFSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408780577 1071823502 /nfs/dbraw/zinc/82/35/02/1071823502.db2.gz FKHNNCNALRYIAM-WPWMEQJKSA-N -1 0 570.443 6.102 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408780151 1071826136 /nfs/dbraw/zinc/82/61/36/1071826136.db2.gz TXRCBRWXUSKQFU-OKCVXOCRSA-N -1 0 547.699 6.845 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409047210 1071826735 /nfs/dbraw/zinc/82/67/35/1071826735.db2.gz NTEGMGSEPIRBBV-DJKKODMXSA-N -1 0 625.100 6.764 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1 ZINC000409046836 1071828814 /nfs/dbraw/zinc/82/88/14/1071828814.db2.gz KWRLUNNHWYUVHZ-FARCUNLSSA-N -1 0 620.053 5.103 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408780366 1071824228 /nfs/dbraw/zinc/82/42/28/1071824228.db2.gz BHLIIIGZHPVCFA-CXUHLZMHSA-N -1 0 626.794 6.653 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408780433 1071824764 /nfs/dbraw/zinc/82/47/64/1071824764.db2.gz YIPUZTXNLJTXEB-JJIBRWJFSA-N -1 0 540.417 6.190 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409045510 1071825006 /nfs/dbraw/zinc/82/50/06/1071825006.db2.gz YWJYGEUQNXXWHB-LZYBPNLTSA-N -1 0 643.090 6.903 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408780240 1071825338 /nfs/dbraw/zinc/82/53/38/1071825338.db2.gz AABCHSVDRXSVQA-QGMBQPNBSA-N -1 0 610.675 6.663 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409047247 1071825591 /nfs/dbraw/zinc/82/55/91/1071825591.db2.gz NTMJLXYCPNZWMZ-RGVLZGJSSA-N -1 0 556.358 5.546 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1 ZINC000409047222 1071825639 /nfs/dbraw/zinc/82/56/39/1071825639.db2.gz NWEBBUDBKODTNF-RGVLZGJSSA-N -1 0 632.236 5.383 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409046717 1071830324 /nfs/dbraw/zinc/83/03/24/1071830324.db2.gz LKQZNGBEDPBBDT-FYJGNVAPSA-N -1 0 568.811 5.095 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408779176 1071830764 /nfs/dbraw/zinc/83/07/64/1071830764.db2.gz BJLYDOYGBJEDJV-RGVLZGJSSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408779453 1071830851 /nfs/dbraw/zinc/83/08/51/1071830851.db2.gz FBMDKROXCBAYQH-FYJGNVAPSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409046632 1071832016 /nfs/dbraw/zinc/83/20/16/1071832016.db2.gz KRIOCABOAQRRAZ-RQZCQDPDSA-N -1 0 635.652 6.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409046477 1071833245 /nfs/dbraw/zinc/83/32/45/1071833245.db2.gz KVMCGTMVJWXTJZ-VXLYETTFSA-N -1 0 592.190 5.735 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409046262 1071834008 /nfs/dbraw/zinc/83/40/08/1071834008.db2.gz JRKCATNBHAASPJ-RGVLZGJSSA-N -1 0 634.708 6.509 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000409046178 1071835964 /nfs/dbraw/zinc/83/59/64/1071835964.db2.gz JBIZHQYIJTYIFX-VXLYETTFSA-N -1 0 615.234 5.674 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000409046316 1071834683 /nfs/dbraw/zinc/83/46/83/1071834683.db2.gz JZJXERQVDOMLMG-RGVLZGJSSA-N -1 0 648.691 5.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409046132 1071835183 /nfs/dbraw/zinc/83/51/83/1071835183.db2.gz IUCPIEDINYMTML-MFKUBSTISA-N -1 0 591.422 6.957 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409046149 1071835333 /nfs/dbraw/zinc/83/53/33/1071835333.db2.gz IWJHASOHMWNCDB-HYARGMPZSA-N -1 0 614.290 6.246 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408777932 1071840732 /nfs/dbraw/zinc/84/07/32/1071840732.db2.gz MIUDXLWUFZCECM-CAOOACKPSA-N -1 0 657.675 6.505 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409045081 1071842689 /nfs/dbraw/zinc/84/26/89/1071842689.db2.gz FIMBDXYAYLNNMG-WOJGMQOQSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408777723 1071841514 /nfs/dbraw/zinc/84/15/14/1071841514.db2.gz GYBDKVHVPATBEX-XDHOZWIPSA-N -1 0 509.331 5.142 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409045245 1071842003 /nfs/dbraw/zinc/84/20/03/1071842003.db2.gz FVGVYEPNRVNLDW-WOJGMQOQSA-N -1 0 590.655 6.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409045614 1071838947 /nfs/dbraw/zinc/83/89/47/1071838947.db2.gz ZVNBCDOEAAGKCJ-VXLYETTFSA-N -1 0 519.743 6.031 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408786670 1071848413 /nfs/dbraw/zinc/84/84/13/1071848413.db2.gz UMWXZDHOZFRKGD-MFKUBSTISA-N -1 0 581.541 5.678 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409044901 1071844150 /nfs/dbraw/zinc/84/41/50/1071844150.db2.gz DEWQAAIRANFTHP-CAOOACKPSA-N -1 0 670.097 6.672 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409045000 1071844907 /nfs/dbraw/zinc/84/49/07/1071844907.db2.gz XDENCHYIIUJKHI-CAOOACKPSA-N -1 0 554.188 6.685 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408787096 1071845372 /nfs/dbraw/zinc/84/53/72/1071845372.db2.gz RDDBZPOPKRLROZ-HYARGMPZSA-N -1 0 582.394 5.244 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409044828 1071846088 /nfs/dbraw/zinc/84/60/88/1071846088.db2.gz DOFDNZPVDDVZQD-LICLKQGHSA-N -1 0 590.655 6.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408786791 1071847083 /nfs/dbraw/zinc/84/70/83/1071847083.db2.gz NSWHGMUCVJVYCP-CIAFOILYSA-N -1 0 535.394 5.320 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000409044643 1071847107 /nfs/dbraw/zinc/84/71/07/1071847107.db2.gz WHXRADWLWWKKSS-CIAFOILYSA-N -1 0 679.159 6.618 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408786700 1071849027 /nfs/dbraw/zinc/84/90/27/1071849027.db2.gz MOPQUPYVIXEWRW-CAOOACKPSA-N -1 0 701.779 6.126 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409044495 1071848033 /nfs/dbraw/zinc/84/80/33/1071848033.db2.gz GRQMPKXVKCGMOU-QGMBQPNBSA-N -1 0 594.234 6.332 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408786715 1071849257 /nfs/dbraw/zinc/84/92/57/1071849257.db2.gz VAGWQYMRTRVDKC-ZMOGYAJESA-N -1 0 662.478 6.297 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409044355 1071849892 /nfs/dbraw/zinc/84/98/92/1071849892.db2.gz CHKPPVIFDUSKQS-LICLKQGHSA-N -1 0 608.645 6.250 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408786213 1071851867 /nfs/dbraw/zinc/85/18/67/1071851867.db2.gz HCXYZRAPPLSPHA-WPWMEQJKSA-N -1 0 540.019 6.301 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408784842 1071862883 /nfs/dbraw/zinc/86/28/83/1071862883.db2.gz VSRAWONJWKXFFO-CIAFOILYSA-N -1 0 582.394 5.162 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408785218 1071858364 /nfs/dbraw/zinc/85/83/64/1071858364.db2.gz UWFHSHIYTSPIBG-GIDUJCDVSA-N -1 0 717.727 6.523 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408784654 1071863191 /nfs/dbraw/zinc/86/31/91/1071863191.db2.gz VRERIOUMARZYPU-OKCVXOCRSA-N -1 0 563.767 7.010 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000408784749 1071861536 /nfs/dbraw/zinc/86/15/36/1071861536.db2.gz SJGXRVMODNRPBK-RVDMUPIBSA-N -1 0 523.368 5.044 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408784771 1071862074 /nfs/dbraw/zinc/86/20/74/1071862074.db2.gz UVSFOYQIJZJANP-LZYBPNLTSA-N -1 0 626.794 6.653 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409042545 1071870974 /nfs/dbraw/zinc/87/09/74/1071870974.db2.gz NDVANKHFIVKCPP-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccccc2)C1=O ZINC000409042609 1071867382 /nfs/dbraw/zinc/86/73/82/1071867382.db2.gz NSASGCOMEJESTG-UDWIEESQSA-N -1 0 568.811 5.095 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409042098 1071875231 /nfs/dbraw/zinc/87/52/31/1071875231.db2.gz BJBUONFLNIMDEV-VXLYETTFSA-N -1 0 659.243 5.152 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408797166 1071876777 /nfs/dbraw/zinc/87/67/77/1071876777.db2.gz GLIFQMVDWXCXOK-CIAFOILYSA-N -1 0 549.967 5.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408797212 1071876797 /nfs/dbraw/zinc/87/67/97/1071876797.db2.gz BVGJOJXUDWTALR-MFKUBSTISA-N -1 0 646.481 6.705 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000408797149 1071876884 /nfs/dbraw/zinc/87/68/84/1071876884.db2.gz GJRDQULSWZTLNQ-NDZAJKAJSA-N -1 0 647.525 7.735 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408783207 1071872211 /nfs/dbraw/zinc/87/22/11/1071872211.db2.gz LBKYCAWZSFRQDV-FYJGNVAPSA-N -1 0 569.468 5.455 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Br)c1 ZINC000408783012 1071873170 /nfs/dbraw/zinc/87/31/70/1071873170.db2.gz LYDRPJVLMJJEKW-SRZZPIQSSA-N -1 0 598.291 6.382 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409041983 1071874061 /nfs/dbraw/zinc/87/40/61/1071874061.db2.gz LRQIMAGHBNJABK-MHWRWJLKSA-N -1 0 590.655 6.110 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408794722 1071884598 /nfs/dbraw/zinc/88/45/98/1071884598.db2.gz BGAAKJVQIAXHRA-PCLIKHOPSA-N -1 0 571.427 6.165 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408795436 1071882501 /nfs/dbraw/zinc/88/25/01/1071882501.db2.gz CDFDZVQCKBEAFF-MFKUBSTISA-N -1 0 660.508 7.014 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409041120 1071883151 /nfs/dbraw/zinc/88/31/51/1071883151.db2.gz IKJWAIBRWFBPHD-GIJQJNRQSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409041170 1071883307 /nfs/dbraw/zinc/88/33/07/1071883307.db2.gz IVFJWNJMDMANQT-VXLYETTFSA-N -1 0 519.743 6.031 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000409041645 1071879263 /nfs/dbraw/zinc/87/92/63/1071879263.db2.gz KIFUHNPBZKBSEQ-VCHYOVAHSA-N -1 0 515.324 5.387 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408796327 1071879292 /nfs/dbraw/zinc/87/92/92/1071879292.db2.gz ACVLDFYKOOEYHW-WSDLNYQXSA-N -1 0 520.969 5.219 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408796063 1071880610 /nfs/dbraw/zinc/88/06/10/1071880610.db2.gz DCBNDRQHMVERIA-FSJBWODESA-N -1 0 638.845 6.352 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408794723 1071884539 /nfs/dbraw/zinc/88/45/39/1071884539.db2.gz BGFPPSBHQXCRKO-MFKUBSTISA-N -1 0 599.481 6.863 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408791609 1071889310 /nfs/dbraw/zinc/88/93/10/1071889310.db2.gz ZLGQCNVEAUXFGV-WGOQTCKBSA-N -1 0 506.558 5.711 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408791372 1071890950 /nfs/dbraw/zinc/89/09/50/1071890950.db2.gz WTEYBMLJSROOSE-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409039612 1071898675 /nfs/dbraw/zinc/89/86/75/1071898675.db2.gz CTKICCKHTYKIGY-FRKPEAEDSA-N -1 0 570.643 7.199 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCC ZINC000408789067 1071896957 /nfs/dbraw/zinc/89/69/57/1071896957.db2.gz IWLLZWQZYIRINW-NTUHNPAUSA-N -1 0 561.738 5.585 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409039579 1071898153 /nfs/dbraw/zinc/89/81/53/1071898153.db2.gz CRERUZOAPGFGDS-CVKSISIWSA-N -1 0 696.779 7.689 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408805458 1071906467 /nfs/dbraw/zinc/90/64/67/1071906467.db2.gz KFHWHLSXTIXPIJ-KGENOOAVSA-N -1 0 561.819 6.501 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408805996 1071904982 /nfs/dbraw/zinc/90/49/82/1071904982.db2.gz DNVCDOFZJNRPCC-RQZCQDPDSA-N -1 0 623.230 5.852 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408788027 1071900187 /nfs/dbraw/zinc/90/01/87/1071900187.db2.gz CIZUHIUNHCFEAJ-STBIYBPSSA-N -1 0 598.497 6.719 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1C ZINC000408806767 1071901897 /nfs/dbraw/zinc/90/18/97/1071901897.db2.gz BQNVBUIOSPSYGR-LFVJCYFKSA-N -1 0 510.977 6.355 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408806984 1071902024 /nfs/dbraw/zinc/90/20/24/1071902024.db2.gz NVCITRIWNLKUIG-LPYMAVHISA-N -1 0 561.421 6.709 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408807025 1071902098 /nfs/dbraw/zinc/90/20/98/1071902098.db2.gz NWVGMDDIDBZNLJ-YBFXNURJSA-N -1 0 529.807 6.455 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409038922 1071903164 /nfs/dbraw/zinc/90/31/64/1071903164.db2.gz PXBOKXXKGNQYRV-LZYBPNLTSA-N -1 0 580.893 6.518 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409038579 1071907966 /nfs/dbraw/zinc/90/79/66/1071907966.db2.gz AAZVWYRKYZYUAU-RGVLZGJSSA-N -1 0 690.288 5.055 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000408802976 1071909825 /nfs/dbraw/zinc/90/98/25/1071909825.db2.gz JUYNRHLOZFPFJX-VXLYETTFSA-N -1 0 543.776 5.795 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409047331 1071909971 /nfs/dbraw/zinc/90/99/71/1071909971.db2.gz OGUBIPCBRBWGSX-YBFXNURJSA-N -1 0 568.413 5.303 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408802804 1071911275 /nfs/dbraw/zinc/91/12/75/1071911275.db2.gz HQOAIMWSXWEELY-RGVLZGJSSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1C ZINC000408802762 1071911314 /nfs/dbraw/zinc/91/13/14/1071911314.db2.gz HCFPGMIHDWYNBT-CIAFOILYSA-N -1 0 550.365 5.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409057032 1071911622 /nfs/dbraw/zinc/91/16/22/1071911622.db2.gz OOIJKDSUAZHAMO-GIJQJNRQSA-N -1 0 633.282 5.757 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409055457 1071927359 /nfs/dbraw/zinc/92/73/59/1071927359.db2.gz IQSUIDCJVMDFHK-LICLKQGHSA-N -1 0 625.100 6.764 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000409056524 1071921513 /nfs/dbraw/zinc/92/15/13/1071921513.db2.gz MPFILWPNKQDYFT-RGVLZGJSSA-N -1 0 531.779 5.901 40 10 KKCBRM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409056394 1071922404 /nfs/dbraw/zinc/92/24/04/1071922404.db2.gz DJFHTVLBYGKRHQ-QGZVFWFLSA-N -1 0 517.116 6.914 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000409054985 1071930153 /nfs/dbraw/zinc/93/01/53/1071930153.db2.gz HNHUDZLNUNPKNX-CIAFOILYSA-N -1 0 634.708 6.509 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409054951 1071931580 /nfs/dbraw/zinc/93/15/80/1071931580.db2.gz HJZHLHNSGYGIRM-DJKKODMXSA-N -1 0 635.652 6.019 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409054370 1071934590 /nfs/dbraw/zinc/93/45/90/1071934590.db2.gz FRLIKJPZTDAHQS-WGOQTCKBSA-N -1 0 612.038 5.612 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409050089 1071960679 /nfs/dbraw/zinc/96/06/79/1071960679.db2.gz YSOOGEWMVQFIPC-VXLYETTFSA-N -1 0 680.103 6.128 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409050183 1071958987 /nfs/dbraw/zinc/95/89/87/1071958987.db2.gz ZYZJSUHSRDHHMZ-RIYZIHGNSA-N -1 0 542.611 5.320 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409049867 1071961077 /nfs/dbraw/zinc/96/10/77/1071961077.db2.gz YIOWRSUTYPBSTI-GIJQJNRQSA-N -1 0 580.649 6.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409050512 1071956750 /nfs/dbraw/zinc/95/67/50/1071956750.db2.gz WQQHSCJOHVVUCB-CVKSISIWSA-N -1 0 607.877 7.471 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1 ZINC000409049586 1071963393 /nfs/dbraw/zinc/96/33/93/1071963393.db2.gz WUJYJOFHFQGMGP-VXLYETTFSA-N -1 0 526.332 5.455 40 10 KKCBRM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409049581 1071963453 /nfs/dbraw/zinc/96/34/53/1071963453.db2.gz WSVWEMPVFXRBKF-LZYBPNLTSA-N -1 0 601.089 5.675 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 ZINC000409049371 1071965131 /nfs/dbraw/zinc/96/51/31/1071965131.db2.gz QNZQOVNLUGMTGB-RDRPBHBLSA-N -1 0 591.620 5.267 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409049147 1071965729 /nfs/dbraw/zinc/96/57/29/1071965729.db2.gz WHIRDLMPGSDCKA-VXLYETTFSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000409049199 1071966310 /nfs/dbraw/zinc/96/63/10/1071966310.db2.gz VOOUMBOGWUIUKZ-RGVLZGJSSA-N -1 0 679.159 6.618 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409048597 1071969846 /nfs/dbraw/zinc/96/98/46/1071969846.db2.gz SMCZXVGNIGTMRJ-VXLYETTFSA-N -1 0 559.789 5.679 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409048620 1071970400 /nfs/dbraw/zinc/97/04/00/1071970400.db2.gz STDALHXCXQPLQQ-VXLYETTFSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409048650 1071970412 /nfs/dbraw/zinc/97/04/12/1071970412.db2.gz UCKCXGHQZVURJH-QGMBQPNBSA-N -1 0 646.204 5.273 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409059209 1071981573 /nfs/dbraw/zinc/98/15/73/1071981573.db2.gz VLNIRDKWRXBMSR-AFUMVMLFSA-N -1 0 707.331 6.944 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409059264 1071982274 /nfs/dbraw/zinc/98/22/74/1071982274.db2.gz VUINSWQZAXWTIT-QGMBQPNBSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1C ZINC000409058783 1071984378 /nfs/dbraw/zinc/98/43/78/1071984378.db2.gz TTXVMYSMFOVLKC-SRZZPIQSSA-N -1 0 602.254 6.213 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1 ZINC000409058797 1071984413 /nfs/dbraw/zinc/98/44/13/1071984413.db2.gz TUPCTTNEUNMLFH-RGVLZGJSSA-N -1 0 543.334 5.165 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(C)C)C1=O ZINC000409058204 1071988195 /nfs/dbraw/zinc/98/81/95/1071988195.db2.gz SDZMNVPUBCNCKS-OVCLIPMQSA-N -1 0 570.665 5.875 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409065583 1072009226 /nfs/dbraw/zinc/00/92/26/1072009226.db2.gz HSZYPHBQJCDUKP-YBFXNURJSA-N -1 0 670.719 5.308 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409074464 1072040921 /nfs/dbraw/zinc/04/09/21/1072040921.db2.gz ZQCXLJHOUXCFAL-PCLIKHOPSA-N -1 0 590.532 7.120 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076840 1072047979 /nfs/dbraw/zinc/04/79/79/1072047979.db2.gz CKFMCNQARXSGIX-FRKPEAEDSA-N -1 0 654.779 6.805 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409076997 1072046000 /nfs/dbraw/zinc/04/60/00/1072046000.db2.gz CEXZTNDXDAVRBO-RQZCQDPDSA-N -1 0 664.343 5.630 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076740 1072046393 /nfs/dbraw/zinc/04/63/93/1072046393.db2.gz CBZNORWXZPJLSR-XYGWBWBKSA-N -1 0 583.438 6.569 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1C ZINC000409076478 1072050330 /nfs/dbraw/zinc/05/03/30/1072050330.db2.gz ASWNTZFNSWYFFT-NDENLUEZSA-N -1 0 525.439 5.689 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076293 1072051791 /nfs/dbraw/zinc/05/17/91/1072051791.db2.gz ALQMJTKVJDTZMF-LICLKQGHSA-N -1 0 552.883 5.014 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074830 1072064577 /nfs/dbraw/zinc/06/45/77/1072064577.db2.gz SGXNPDUFCZSYDY-MHWRWJLKSA-N -1 0 586.236 5.734 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072754 1072081465 /nfs/dbraw/zinc/08/14/65/1072081465.db2.gz DFNACWKFGMFMIM-LZYBPNLTSA-N -1 0 660.713 5.852 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071516 1072088532 /nfs/dbraw/zinc/08/85/32/1072088532.db2.gz PIKOZLFNCPLRTO-LZYBPNLTSA-N -1 0 620.681 6.388 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1C ZINC000409070707 1072094360 /nfs/dbraw/zinc/09/43/60/1072094360.db2.gz LUBNSNBWUIXSPJ-UDWIEESQSA-N -1 0 545.400 5.044 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409070364 1072095780 /nfs/dbraw/zinc/09/57/80/1072095780.db2.gz FQHOYPOMLPSADV-WOJGMQOQSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068923 1072107806 /nfs/dbraw/zinc/10/78/06/1072107806.db2.gz UQPOMGMQKPXGPG-LZYBPNLTSA-N -1 0 709.583 6.606 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409080591 1072121884 /nfs/dbraw/zinc/12/18/84/1072121884.db2.gz LUJCLCBAFMQSQS-VCHYOVAHSA-N -1 0 676.230 5.885 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409080108 1072125991 /nfs/dbraw/zinc/12/59/91/1072125991.db2.gz LGPTXDMFBDRVEK-OQLLNIDSSA-N -1 0 624.753 6.797 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409079600 1072133590 /nfs/dbraw/zinc/13/35/90/1072133590.db2.gz LDEBUPKWPQDIAN-WLRTZDKTSA-N -1 0 724.067 7.904 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409078532 1072144476 /nfs/dbraw/zinc/14/44/76/1072144476.db2.gz IOAWIVHEDXWKKZ-NTUHNPAUSA-N -1 0 689.622 7.251 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077964 1072150555 /nfs/dbraw/zinc/15/05/55/1072150555.db2.gz GVKCVMCICZZFRO-VCHYOVAHSA-N -1 0 589.910 6.433 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409085328 1072177757 /nfs/dbraw/zinc/17/77/57/1072177757.db2.gz ZFUBBMDPSIYUDQ-MHWRWJLKSA-N -1 0 673.268 5.041 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084917 1072183268 /nfs/dbraw/zinc/18/32/68/1072183268.db2.gz NJBGTYKAIDLSLC-RQZCQDPDSA-N -1 0 575.883 6.043 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084434 1072191358 /nfs/dbraw/zinc/19/13/58/1072191358.db2.gz BPKGTUVVXQZXJO-ZTJHJZSNSA-N -1 0 694.604 5.074 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084228 1072192240 /nfs/dbraw/zinc/19/22/40/1072192240.db2.gz XHTLCCGKHHJIDK-CAOOACKPSA-N -1 0 712.331 5.984 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082458 1072210986 /nfs/dbraw/zinc/21/09/86/1072210986.db2.gz SNYQLEZDJOHRFJ-FRKPEAEDSA-N -1 0 606.853 5.643 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409082262 1072212374 /nfs/dbraw/zinc/21/23/74/1072212374.db2.gz IQSJYSZXXQQLLZ-VIZOYTHASA-N -1 0 671.176 6.303 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082297 1072212969 /nfs/dbraw/zinc/21/29/69/1072212969.db2.gz SDJQGZCNXUKOKB-CXUHLZMHSA-N -1 0 624.355 7.086 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081652 1072222219 /nfs/dbraw/zinc/22/22/19/1072222219.db2.gz KOWSXOLPNMPZHR-CAOOACKPSA-N -1 0 620.880 6.033 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081336 1072224886 /nfs/dbraw/zinc/22/48/86/1072224886.db2.gz KKUUACFKOWYQJO-LZYBPNLTSA-N -1 0 687.752 6.339 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409095487 1072240071 /nfs/dbraw/zinc/24/00/71/1072240071.db2.gz HYKMLVBWJUGYBB-OOAXWGSJSA-N -1 0 574.105 7.604 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409095367 1072240992 /nfs/dbraw/zinc/24/09/92/1072240992.db2.gz CEVXTVRXJULZIZ-VCHYOVAHSA-N -1 0 530.433 5.249 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)o1 ZINC000409326915 1072244107 /nfs/dbraw/zinc/24/41/07/1072244107.db2.gz GLPCETILUFDXAD-JAIQZWGSSA-N -1 0 588.379 5.233 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093217 1072253659 /nfs/dbraw/zinc/25/36/59/1072253659.db2.gz ZIAMUDUMOVXWBN-VCHYOVAHSA-N -1 0 650.360 6.242 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409093988 1072248759 /nfs/dbraw/zinc/24/87/59/1072248759.db2.gz CEWPDTGZSQOCTL-CAOOACKPSA-N -1 0 547.279 6.011 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1Cl ZINC000409091805 1072267937 /nfs/dbraw/zinc/26/79/37/1072267937.db2.gz RWCNGPYWSAZBOV-GIDUJCDVSA-N -1 0 614.747 7.341 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092207 1072263533 /nfs/dbraw/zinc/26/35/33/1072263533.db2.gz TVBGPKZPOBBMQI-LZYBPNLTSA-N -1 0 648.176 5.192 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409091781 1072267468 /nfs/dbraw/zinc/26/74/68/1072267468.db2.gz UOZBDELJIUEZFT-XYGWBWBKSA-N -1 0 543.406 7.105 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409091396 1072271864 /nfs/dbraw/zinc/27/18/64/1072271864.db2.gz QFTPIPXLQVZWLJ-WOJGMQOQSA-N -1 0 620.334 6.234 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090378 1072282067 /nfs/dbraw/zinc/28/20/67/1072282067.db2.gz MXLLOOPNWFVMHM-CAOOACKPSA-N -1 0 668.806 7.195 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409090014 1072283904 /nfs/dbraw/zinc/28/39/04/1072283904.db2.gz OBHMDOOZHFGWHZ-GIDUJCDVSA-N -1 0 680.649 6.449 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409089907 1072285268 /nfs/dbraw/zinc/28/52/68/1072285268.db2.gz NMBICICCIGXDJB-CXUHLZMHSA-N -1 0 543.275 5.269 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409089725 1072286257 /nfs/dbraw/zinc/28/62/57/1072286257.db2.gz JQGOTNLYGRXALC-ITYLOYPMSA-N -1 0 553.412 6.561 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088450 1072298134 /nfs/dbraw/zinc/29/81/34/1072298134.db2.gz JPGVALQGYPJERU-OQLLNIDSSA-N -1 0 587.328 5.667 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088468 1072298144 /nfs/dbraw/zinc/29/81/44/1072298144.db2.gz JSEJHJJESWSKMU-LICLKQGHSA-N -1 0 597.334 5.123 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088535 1072299003 /nfs/dbraw/zinc/29/90/03/1072299003.db2.gz GATSDTHARZHWRP-ZVHZXABRSA-N -1 0 773.458 7.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088135 1072300456 /nfs/dbraw/zinc/30/04/56/1072300456.db2.gz DNYGBUZFZLANTK-RQZCQDPDSA-N -1 0 621.278 5.743 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087740 1072305715 /nfs/dbraw/zinc/30/57/15/1072305715.db2.gz HLGWDOMPJZWYDO-MKMNVTDBSA-N -1 0 652.197 6.040 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000409099944 1072322575 /nfs/dbraw/zinc/32/25/75/1072322575.db2.gz RYSIOQAVPMIALK-GJSJWPQCSA-N -1 0 512.187 5.600 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000409098246 1072332639 /nfs/dbraw/zinc/33/26/39/1072332639.db2.gz OWVCGZZHZQKSAM-UFFVCSGVSA-N -1 0 550.872 7.330 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409106679 1072341666 /nfs/dbraw/zinc/34/16/66/1072341666.db2.gz SKIPFEVIWGPVAM-UQQQWYQISA-N -1 0 526.061 6.554 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409103756 1072358282 /nfs/dbraw/zinc/35/82/82/1072358282.db2.gz FPMVJKYERYZDJL-FYJGNVAPSA-N -1 0 547.011 5.212 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)[N-]C1=S ZINC000409103418 1072361463 /nfs/dbraw/zinc/36/14/63/1072361463.db2.gz GVPVCHQHWLGUNT-DEDYPNTBSA-N -1 0 503.986 5.622 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)cc1Cl ZINC000409327727 1072398265 /nfs/dbraw/zinc/39/82/65/1072398265.db2.gz LWWAOXGWLQOHJM-NVMNQCDNSA-N -1 0 555.258 7.120 40 10 KKCBRM Cc1c(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409327537 1072401872 /nfs/dbraw/zinc/40/18/72/1072401872.db2.gz KRFIOABEJOARDR-XKZIYDEJSA-N -1 0 524.092 6.259 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409108990 1072402000 /nfs/dbraw/zinc/40/20/00/1072402000.db2.gz ZHRMIFBBPZDDEN-WSDLNYQXSA-N -1 0 649.382 7.293 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409108659 1072406438 /nfs/dbraw/zinc/40/64/38/1072406438.db2.gz YDQLEHNEZHVZLP-SFQUDFHCSA-N -1 0 528.859 5.650 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409341941 1072454356 /nfs/dbraw/zinc/45/43/56/1072454356.db2.gz CVUPKUZSFYIDES-DEDYPNTBSA-N -1 0 622.531 5.877 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409340530 1072466874 /nfs/dbraw/zinc/46/68/74/1072466874.db2.gz YQRGIVZNFJONEQ-YBFXNURJSA-N -1 0 640.400 6.407 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000409136981 1072475324 /nfs/dbraw/zinc/47/53/24/1072475324.db2.gz SSPVFFPJXAVJNY-HYARGMPZSA-N -1 0 633.506 5.529 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409135080 1072488923 /nfs/dbraw/zinc/48/89/23/1072488923.db2.gz PSZXVJZXQWYQGS-SRZZPIQSSA-N -1 0 587.431 6.171 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409133717 1072497147 /nfs/dbraw/zinc/49/71/47/1072497147.db2.gz QYFUXBCBRIBXEE-HYARGMPZSA-N -1 0 673.538 5.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1OC ZINC000409131292 1072511037 /nfs/dbraw/zinc/51/10/37/1072511037.db2.gz IQQOIRDLHKZBJN-NJZRLIGZSA-N -1 0 600.671 7.031 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OC ZINC000409130150 1072515476 /nfs/dbraw/zinc/51/54/76/1072515476.db2.gz WEBXDBQPWGFZQW-LPYMAVHISA-N -1 0 597.437 5.627 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409129589 1072518732 /nfs/dbraw/zinc/51/87/32/1072518732.db2.gz UNCPDISMFJMFSM-ZXVVBBHZSA-N -1 0 550.611 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409144826 1072532507 /nfs/dbraw/zinc/53/25/07/1072532507.db2.gz GWHAVGWEBSSWDZ-LPYMAVHISA-N -1 0 676.333 6.389 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)c1 ZINC000409144602 1072532821 /nfs/dbraw/zinc/53/28/21/1072532821.db2.gz LXKXFAICTFSXEB-NKVSQWTQSA-N -1 0 543.066 5.747 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409351301 1072537732 /nfs/dbraw/zinc/53/77/32/1072537732.db2.gz TWTUSOHQEGPOHY-PCLIKHOPSA-N -1 0 546.695 6.425 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1OC ZINC000409143300 1072541184 /nfs/dbraw/zinc/54/11/84/1072541184.db2.gz MSBGWISOMCARAQ-KGENOOAVSA-N -1 0 619.479 5.221 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OCC ZINC000409350034 1072545385 /nfs/dbraw/zinc/54/53/85/1072545385.db2.gz WXLPDABMYNFDPE-WJDWOHSUSA-N -1 0 574.487 5.086 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000409142817 1072545946 /nfs/dbraw/zinc/54/59/46/1072545946.db2.gz DMXWDPWFNZABMX-YDZHTSKRSA-N -1 0 514.379 5.114 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409142584 1072546331 /nfs/dbraw/zinc/54/63/31/1072546331.db2.gz KXQBNOVFLTZWMH-BUVRLJJBSA-N -1 0 589.601 5.032 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409349753 1072547156 /nfs/dbraw/zinc/54/71/56/1072547156.db2.gz WCAWLWQHDAEFQQ-UFFVCSGVSA-N -1 0 544.510 6.604 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409142282 1072548110 /nfs/dbraw/zinc/54/81/10/1072548110.db2.gz XQTGYBWEWKOGKO-PXLXIMEGSA-N -1 0 613.892 6.141 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409140428 1072559533 /nfs/dbraw/zinc/55/95/33/1072559533.db2.gz FDVIXJDFMGCKBA-OGLMXYFKSA-N -1 0 553.659 6.260 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409140253 1072560005 /nfs/dbraw/zinc/56/00/05/1072560005.db2.gz QKUWQLPOFQGQRN-SRZZPIQSSA-N -1 0 603.886 6.685 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)C2=O)cc1OC ZINC000409140297 1072560061 /nfs/dbraw/zinc/56/00/61/1072560061.db2.gz DKXZJMFDYBULKY-XYGWBWBKSA-N -1 0 514.578 5.033 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S)c1cccs1 ZINC000409347676 1072563407 /nfs/dbraw/zinc/56/34/07/1072563407.db2.gz QVNNGRUCPHGJSD-CXUHLZMHSA-N -1 0 536.410 5.225 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409364414 1072584999 /nfs/dbraw/zinc/58/49/99/1072584999.db2.gz PLKCBSDAQURKRQ-LPYMAVHISA-N -1 0 626.037 5.359 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409145656 1072585702 /nfs/dbraw/zinc/58/57/02/1072585702.db2.gz REGYBFMVZBSFAK-JVWAILMASA-N -1 0 673.560 7.039 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409364322 1072585917 /nfs/dbraw/zinc/58/59/17/1072585917.db2.gz OZJYITGAHVXOQL-LPYMAVHISA-N -1 0 717.488 5.310 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409363767 1072587287 /nfs/dbraw/zinc/58/72/87/1072587287.db2.gz NFZXOVDPMZZCCE-NVMNQCDNSA-N -1 0 651.272 5.978 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361920 1072597155 /nfs/dbraw/zinc/59/71/55/1072597155.db2.gz DWKFBEDHRBJUPD-UUYOSTAYSA-N -1 0 610.436 5.288 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361838 1072598955 /nfs/dbraw/zinc/59/89/55/1072598955.db2.gz DLGDGXJFRKBCSR-ZDLGFXPLSA-N -1 0 663.827 5.085 40 10 KKCBRM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409154666 1072605585 /nfs/dbraw/zinc/60/55/85/1072605585.db2.gz HEFXTMYCYVDUIU-QRVIBDJDSA-N -1 0 617.463 6.584 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409375566 1072624125 /nfs/dbraw/zinc/62/41/25/1072624125.db2.gz MOUSBGXHVJWKKH-YBFXNURJSA-N -1 0 620.352 6.737 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409377203 1072624899 /nfs/dbraw/zinc/62/48/99/1072624899.db2.gz FPTGLAGXUZFFKO-ODLFYWEKSA-N -1 0 619.255 5.448 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409374843 1072635779 /nfs/dbraw/zinc/63/57/79/1072635779.db2.gz AJHLBVOLSIFOKY-FYJGNVAPSA-N -1 0 613.433 5.172 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409374468 1072637503 /nfs/dbraw/zinc/63/75/03/1072637503.db2.gz QKWBIFQXEIPHPP-VCHYOVAHSA-N -1 0 606.800 5.177 40 10 KKCBRM Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 ZINC000409374533 1072638088 /nfs/dbraw/zinc/63/80/88/1072638088.db2.gz SBWVUDYFKXFQQL-NHDPSOOVSA-N -1 0 524.982 5.898 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409374365 1072638714 /nfs/dbraw/zinc/63/87/14/1072638714.db2.gz NQVNZGAPGIARCF-OVCLIPMQSA-N -1 0 507.749 5.102 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409374225 1072640028 /nfs/dbraw/zinc/64/00/28/1072640028.db2.gz ZBQNYSBODYGCGO-VCHYOVAHSA-N -1 0 515.349 5.226 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409373808 1072641136 /nfs/dbraw/zinc/64/11/36/1072641136.db2.gz WJGCTECXYVNCFR-WSDLNYQXSA-N -1 0 608.388 5.287 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409373454 1072641726 /nfs/dbraw/zinc/64/17/26/1072641726.db2.gz SVTGGFYSRLXPSY-CAOOACKPSA-N -1 0 597.192 5.432 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409372997 1072643481 /nfs/dbraw/zinc/64/34/81/1072643481.db2.gz OXJNGGWZRLNNDO-WSDLNYQXSA-N -1 0 516.937 5.336 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409148127 1072643869 /nfs/dbraw/zinc/64/38/69/1072643869.db2.gz XIUVIIPSFNYEFL-OEAKJJBVSA-N -1 0 510.575 5.046 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000409373074 1072643945 /nfs/dbraw/zinc/64/39/45/1072643945.db2.gz QOYCMNBJWQFNID-LZYBPNLTSA-N -1 0 550.192 5.590 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409372363 1072645067 /nfs/dbraw/zinc/64/50/67/1072645067.db2.gz KMEDIAKNTCICKW-CCVNUDIWSA-N -1 0 523.633 5.817 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000409371729 1072648647 /nfs/dbraw/zinc/64/86/47/1072648647.db2.gz GVYFWCKYAMJAED-LPYMAVHISA-N -1 0 578.362 5.278 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409370454 1072654842 /nfs/dbraw/zinc/65/48/42/1072654842.db2.gz REUZXMRYYPGFHJ-CIAFOILYSA-N -1 0 596.459 5.339 40 10 KKCBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c1C ZINC000409370208 1072654907 /nfs/dbraw/zinc/65/49/07/1072654907.db2.gz MXFMPLWDBKWHAD-HYARGMPZSA-N -1 0 535.691 5.343 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc(F)c3)C(=O)[N-]C2=S)cc1 ZINC000409369369 1072659274 /nfs/dbraw/zinc/65/92/74/1072659274.db2.gz BNTQFOADYNRDKP-HYARGMPZSA-N -1 0 539.426 5.561 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000409367835 1072668839 /nfs/dbraw/zinc/66/88/39/1072668839.db2.gz HXGOOUSEEPVILN-GIDUJCDVSA-N -1 0 577.265 5.157 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409379142 1072671482 /nfs/dbraw/zinc/67/14/82/1072671482.db2.gz UTUNCNGELWOWDN-YBFXNURJSA-N -1 0 637.326 6.571 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409379186 1072672028 /nfs/dbraw/zinc/67/20/28/1072672028.db2.gz VLOCJPAGHYTHDE-PCLIKHOPSA-N -1 0 561.490 7.119 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409378377 1072675659 /nfs/dbraw/zinc/67/56/59/1072675659.db2.gz OYWSNEVFXCWMPF-KGENOOAVSA-N -1 0 568.436 5.264 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409386841 1072683995 /nfs/dbraw/zinc/68/39/95/1072683995.db2.gz NQTXGMNTDXYINM-LPYMAVHISA-N -1 0 539.028 5.851 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409386097 1072688063 /nfs/dbraw/zinc/68/80/63/1072688063.db2.gz KYTMXDHTTSRFSR-NDENLUEZSA-N -1 0 598.439 5.393 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)ccc1Cl ZINC000409158993 1072691608 /nfs/dbraw/zinc/69/16/08/1072691608.db2.gz PSMNAJHVZAMUFT-VXLYETTFSA-N -1 0 517.346 5.627 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409385014 1072696228 /nfs/dbraw/zinc/69/62/28/1072696228.db2.gz GKJJQLPXWMNPEN-YZSQISJMSA-N -1 0 522.626 5.821 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167264 1072700282 /nfs/dbraw/zinc/70/02/82/1072700282.db2.gz ICCGQMGFLZYVFS-KCYKTTMJSA-N -1 0 575.286 7.868 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)C2=O)cc1Cl ZINC000409383473 1072701458 /nfs/dbraw/zinc/70/14/58/1072701458.db2.gz VRSGTGRADOOUSL-LICLKQGHSA-N -1 0 586.801 5.234 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409383445 1072702776 /nfs/dbraw/zinc/70/27/76/1072702776.db2.gz VFPJESZMFAATDN-RQZCQDPDSA-N -1 0 616.827 5.243 40 10 KKCBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000409383362 1072702811 /nfs/dbraw/zinc/70/28/11/1072702811.db2.gz WNPOPPKQDVUHDQ-WFSQQTBHSA-N -1 0 521.795 5.263 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166580 1072703278 /nfs/dbraw/zinc/70/32/78/1072703278.db2.gz FMONTBCBLSICCP-YTZAWJCFSA-N -1 0 540.841 7.215 40 10 KKCBRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)ccc1OC(C)=O ZINC000409383168 1072703315 /nfs/dbraw/zinc/70/33/15/1072703315.db2.gz UXKKNPKVNRZHBI-KFXHIIOTSA-N -1 0 713.652 5.444 40 10 KKCBRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)ccc1OC(C)=O ZINC000409383166 1072703411 /nfs/dbraw/zinc/70/34/11/1072703411.db2.gz UXKKNPKVNRZHBI-DQDJONFWSA-N -1 0 713.652 5.444 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409382082 1072708895 /nfs/dbraw/zinc/70/88/95/1072708895.db2.gz XRIXCUHOSWTBED-KEBDBYFISA-N -1 0 620.352 6.737 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409381630 1072710798 /nfs/dbraw/zinc/71/07/98/1072710798.db2.gz IAKFKBRVHFIXSQ-MTDXEUNCSA-N -1 0 515.638 6.237 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381306 1072712201 /nfs/dbraw/zinc/71/22/01/1072712201.db2.gz FXELIMFZRTWVLJ-VXLYETTFSA-N -1 0 620.352 6.737 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409381151 1072713081 /nfs/dbraw/zinc/71/30/81/1072713081.db2.gz DFMPQGGVFFOJJS-XYGWBWBKSA-N -1 0 644.055 6.141 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409381040 1072714628 /nfs/dbraw/zinc/71/46/28/1072714628.db2.gz DEZVOTHTDJOIQS-LPYMAVHISA-N -1 0 583.479 5.960 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[N-]C1=S ZINC000409175409 1072716108 /nfs/dbraw/zinc/71/61/08/1072716108.db2.gz YSSGIBASWWCPLB-UDWIEESQSA-N -1 0 536.440 5.836 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)cc1 ZINC000409380209 1072719086 /nfs/dbraw/zinc/71/90/86/1072719086.db2.gz KJPXLGGWFPGBRP-KEBDBYFISA-N -1 0 628.863 5.112 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409380200 1072719116 /nfs/dbraw/zinc/71/91/16/1072719116.db2.gz KDURJSWVGVTUJO-BKUYFWCQSA-N -1 0 578.021 5.048 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1)Nc1ccccc1F ZINC000409379558 1072722218 /nfs/dbraw/zinc/72/22/18/1072722218.db2.gz XUDIRAODRJVLQP-ITYLOYPMSA-N -1 0 565.557 5.089 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409379801 1072722287 /nfs/dbraw/zinc/72/22/87/1072722287.db2.gz ZXZSBWVGBDPRHN-WQRHYEAKSA-N -1 0 522.442 5.346 40 10 KKCBRM COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)o1 ZINC000409393279 1072724894 /nfs/dbraw/zinc/72/48/94/1072724894.db2.gz PPFRLEOHNMURDC-WKULSOCRSA-N -1 0 603.675 6.203 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[N-]C1=S ZINC000409172251 1072734863 /nfs/dbraw/zinc/73/48/63/1072734863.db2.gz FHNUFATZVLIWSP-BOPFTXTBSA-N -1 0 500.407 5.241 40 10 KKCBRM COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409171981 1072736697 /nfs/dbraw/zinc/73/66/97/1072736697.db2.gz ADBOJEGYRWHDTC-JMIUGGIZSA-N -1 0 575.382 5.413 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C(=O)[N-]C1=S ZINC000409169722 1072747985 /nfs/dbraw/zinc/74/79/85/1072747985.db2.gz YQAPKFLMEGXHOH-LQKURTRISA-N -1 0 565.739 6.402 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000409399396 1072750038 /nfs/dbraw/zinc/75/00/38/1072750038.db2.gz HWDYHNDTWOVNTR-UNOMPAQXSA-N -1 0 575.200 5.094 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000409399257 1072750126 /nfs/dbraw/zinc/75/01/26/1072750126.db2.gz HEGPZHVVROMZMP-IUXPMGMMSA-N -1 0 563.191 5.705 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 ZINC000409398742 1072751572 /nfs/dbraw/zinc/75/15/72/1072751572.db2.gz CJQXBCOHJYFAOH-ZDLGFXPLSA-N -1 0 528.348 5.341 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccccc1F ZINC000409398435 1072752447 /nfs/dbraw/zinc/75/24/47/1072752447.db2.gz AWVSKSQGZOJDIZ-WQRHYEAKSA-N -1 0 501.739 5.282 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000409398480 1072752476 /nfs/dbraw/zinc/75/24/76/1072752476.db2.gz BDRWOYBFWORODT-ZDLGFXPLSA-N -1 0 640.190 5.075 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(C)cc1 ZINC000409398383 1072752914 /nfs/dbraw/zinc/75/29/14/1072752914.db2.gz AEMOEPAPSPSXSU-UNOMPAQXSA-N -1 0 527.802 5.460 40 10 KKCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409407213 1072754810 /nfs/dbraw/zinc/75/48/10/1072754810.db2.gz LTZMSMCTNUHHEC-UDWIEESQSA-N -1 0 513.775 5.152 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168306 1072755662 /nfs/dbraw/zinc/75/56/62/1072755662.db2.gz MKXMZDVQAQDJMH-YWTKSJFSSA-N -1 0 609.731 8.522 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409168181 1072756327 /nfs/dbraw/zinc/75/63/27/1072756327.db2.gz LHDDPNYAKFFAJG-GGUMNFRJSA-N -1 0 575.286 7.868 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[N-]C1=S ZINC000409167428 1072760265 /nfs/dbraw/zinc/76/02/65/1072760265.db2.gz KPVXIHIMMGSRPU-CPNJWEJPSA-N -1 0 536.440 5.836 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186255 1072762652 /nfs/dbraw/zinc/76/26/52/1072762652.db2.gz ZNAFOSJOPPLBJE-FZLKQKSASA-N -1 0 741.866 7.756 40 10 KKCBRM COc1cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409185504 1072769812 /nfs/dbraw/zinc/76/98/12/1072769812.db2.gz ZJGVNDJRWIWEDZ-RNHFSVANSA-N -1 0 506.396 6.561 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409401474 1072781133 /nfs/dbraw/zinc/78/11/33/1072781133.db2.gz YQHVIVHRSKPXBC-ZDLGFXPLSA-N -1 0 516.768 5.126 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183720 1072782571 /nfs/dbraw/zinc/78/25/71/1072782571.db2.gz DEQSDTASABAXCW-RQBSVBTHSA-N -1 0 766.703 8.664 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Br)cc1Br ZINC000409400968 1072783766 /nfs/dbraw/zinc/78/37/66/1072783766.db2.gz WRWGPJPHHHSLPX-ZDLGFXPLSA-N -1 0 685.594 7.067 40 10 KKCBRM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1Cl ZINC000409182355 1072791384 /nfs/dbraw/zinc/79/13/84/1072791384.db2.gz KZTOKVLJUBEKNG-NHDPSOOVSA-N -1 0 510.955 5.590 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181814 1072795658 /nfs/dbraw/zinc/79/56/58/1072795658.db2.gz FNZZFQHHWOUEII-VRKORRMZSA-N -1 0 643.121 6.347 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000409409895 1072807639 /nfs/dbraw/zinc/80/76/39/1072807639.db2.gz RTUTWWMTXLTFDK-WOJGMQOQSA-N -1 0 621.079 5.655 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409192383 1072825636 /nfs/dbraw/zinc/82/56/36/1072825636.db2.gz BYCMQSVCTBUBFM-YDZHTSKRSA-N -1 0 597.039 5.916 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1OCC ZINC000409195707 1072835036 /nfs/dbraw/zinc/83/50/36/1072835036.db2.gz VNAIECGNKFLAFG-XQNSMLJCSA-N -1 0 567.013 5.908 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194458 1072843633 /nfs/dbraw/zinc/84/36/33/1072843633.db2.gz LSGMONGAUNCZIT-OEAKJJBVSA-N -1 0 769.010 5.961 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409193694 1072848311 /nfs/dbraw/zinc/84/83/11/1072848311.db2.gz KTQUEZYHPWVLJP-LPYMAVHISA-N -1 0 663.532 5.619 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1OCC ZINC000409192252 1072856265 /nfs/dbraw/zinc/85/62/65/1072856265.db2.gz AFUVRXJWVTZLJP-PCLIKHOPSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409191929 1072858158 /nfs/dbraw/zinc/85/81/58/1072858158.db2.gz QPRGJCJZVRCATL-BUVRLJJBSA-N -1 0 562.594 5.263 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1OCC ZINC000409191995 1072858880 /nfs/dbraw/zinc/85/88/80/1072858880.db2.gz RYMCTEAYERCHOG-XYGWBWBKSA-N -1 0 559.575 5.023 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409191804 1072859248 /nfs/dbraw/zinc/85/92/48/1072859248.db2.gz NQICYXWWSMAAIL-HZHRSRAPSA-N -1 0 562.594 5.263 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OCCC)C2=O)cc1OCC ZINC000409191463 1072863378 /nfs/dbraw/zinc/86/33/78/1072863378.db2.gz ICUCECBZXITITC-CPNJWEJPSA-N -1 0 624.326 5.850 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409189629 1072875067 /nfs/dbraw/zinc/87/50/67/1072875067.db2.gz LWCUOWUMYCUKND-OEAKJJBVSA-N -1 0 717.367 6.548 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409189665 1072875238 /nfs/dbraw/zinc/87/52/38/1072875238.db2.gz MPAIUBAHLQGFBR-JJIBRWJFSA-N -1 0 559.575 5.023 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409189044 1072879093 /nfs/dbraw/zinc/87/90/93/1072879093.db2.gz HRZWHLVKRSQJAP-ZVHZXABRSA-N -1 0 611.066 6.306 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409189097 1072879584 /nfs/dbraw/zinc/87/95/84/1072879584.db2.gz CRURWSXNDNFMMW-FSJBWODESA-N -1 0 661.966 7.474 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409188797 1072880987 /nfs/dbraw/zinc/88/09/87/1072880987.db2.gz GHPMAOUESQAONV-HZHRSRAPSA-N -1 0 593.474 5.878 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)c1C ZINC000409188815 1072881415 /nfs/dbraw/zinc/88/14/15/1072881415.db2.gz GLXBSKBEAGQPMX-CIAFOILYSA-N -1 0 584.264 6.074 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409188455 1072882503 /nfs/dbraw/zinc/88/25/03/1072882503.db2.gz HRZDTWWEFYKRKD-LPYMAVHISA-N -1 0 688.490 5.867 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409188341 1072883248 /nfs/dbraw/zinc/88/32/48/1072883248.db2.gz GVCPLKWOMAPIDA-BUVRLJJBSA-N -1 0 563.050 6.077 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409187975 1072884125 /nfs/dbraw/zinc/88/41/25/1072884125.db2.gz DWGAXWCVDKQIHA-WSDLNYQXSA-N -1 0 628.465 6.330 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c1 ZINC000409206283 1072892831 /nfs/dbraw/zinc/89/28/31/1072892831.db2.gz SUQDOMLZGDSWDA-OCKHKDLRSA-N -1 0 596.242 6.389 40 10 KKCBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409205398 1072898115 /nfs/dbraw/zinc/89/81/15/1072898115.db2.gz QDJPRSGGMMBYID-AWNIVKPZSA-N -1 0 644.091 5.770 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409215462 1072949410 /nfs/dbraw/zinc/94/94/10/1072949410.db2.gz ZGWSAGSLFJHOIF-QRVIBDJDSA-N -1 0 503.580 5.084 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409226738 1072972996 /nfs/dbraw/zinc/97/29/96/1072972996.db2.gz SGCZOZQBEJSHLE-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409226482 1072974514 /nfs/dbraw/zinc/97/45/14/1072974514.db2.gz UFIQMOQEAMUQHK-WPWMEQJKSA-N -1 0 616.457 6.256 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409226480 1072974702 /nfs/dbraw/zinc/97/47/02/1072974702.db2.gz UEJLTKLKSAWZMM-VEILYXNESA-N -1 0 582.012 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409226072 1072975027 /nfs/dbraw/zinc/97/50/27/1072975027.db2.gz SQGGNCJJKJLKCZ-SRZZPIQSSA-N -1 0 626.891 5.802 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409225940 1072976066 /nfs/dbraw/zinc/97/60/66/1072976066.db2.gz UDPYOFIXAPMGBR-YBFXNURJSA-N -1 0 544.778 5.331 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1C ZINC000409225983 1072976098 /nfs/dbraw/zinc/97/60/98/1072976098.db2.gz SAVAVHUSWPPVQV-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1 ZINC000409226047 1072976553 /nfs/dbraw/zinc/97/65/53/1072976553.db2.gz SNJRTCLCYKQBSM-VCHYOVAHSA-N -1 0 572.832 5.948 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409225712 1072977373 /nfs/dbraw/zinc/97/73/73/1072977373.db2.gz OEJVPCULPKDJHJ-OEAKJJBVSA-N -1 0 656.519 6.264 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409225436 1072978707 /nfs/dbraw/zinc/97/87/07/1072978707.db2.gz QSDHXWUNKQARRQ-GIJQJNRQSA-N -1 0 649.679 5.255 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409225245 1072979296 /nfs/dbraw/zinc/97/92/96/1072979296.db2.gz NRIIPVOMYRRSCI-UDWIEESQSA-N -1 0 589.229 5.440 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409225252 1072979329 /nfs/dbraw/zinc/97/93/29/1072979329.db2.gz NTGFWMPBOOFGMY-AFUMVMLFSA-N -1 0 650.902 6.910 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409224774 1072981334 /nfs/dbraw/zinc/98/13/34/1072981334.db2.gz MPXCFXVASZZJKZ-MTDXEUNCSA-N -1 0 591.620 5.267 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000409222553 1072993229 /nfs/dbraw/zinc/99/32/29/1072993229.db2.gz DWBHVIUCHUIEGK-VXLYETTFSA-N -1 0 500.891 5.112 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409222192 1072994564 /nfs/dbraw/zinc/99/45/64/1072994564.db2.gz AXPOVXRFZDSFMJ-OEAKJJBVSA-N -1 0 622.074 5.528 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409222020 1072995459 /nfs/dbraw/zinc/99/54/59/1072995459.db2.gz BAFFGKBHQZVDJR-YZSQISJMSA-N -1 0 540.019 6.301 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409221835 1072997375 /nfs/dbraw/zinc/99/73/75/1072997375.db2.gz AWJYTDMAAPMPFY-DJKKODMXSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409221631 1072998160 /nfs/dbraw/zinc/99/81/60/1072998160.db2.gz UBERQDFKPYNHGI-LGJNPRDNSA-N -1 0 624.977 7.773 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409220265 1073005027 /nfs/dbraw/zinc/00/50/27/1073005027.db2.gz VQPGNFVLVWPDAB-CIAFOILYSA-N -1 0 701.368 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219243 1073008760 /nfs/dbraw/zinc/00/87/60/1073008760.db2.gz KLARWZFGIQFWJQ-DJKKODMXSA-N -1 0 680.282 5.599 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1 ZINC000409219185 1073010057 /nfs/dbraw/zinc/01/00/57/1073010057.db2.gz KFHNSXBZGTZYOX-SRZZPIQSSA-N -1 0 641.316 5.821 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409219191 1073010109 /nfs/dbraw/zinc/01/01/09/1073010109.db2.gz NTMFWLQSICSCMI-RQZCQDPDSA-N -1 0 682.152 6.511 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409217328 1073015716 /nfs/dbraw/zinc/01/57/16/1073015716.db2.gz BIUDVKFOFBTNON-UDWIEESQSA-N -1 0 554.386 5.076 40 10 KKCBRM COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1 ZINC000409229816 1073018545 /nfs/dbraw/zinc/01/85/45/1073018545.db2.gz VJAMOVGPOVILPG-ZVHZXABRSA-N -1 0 515.635 5.144 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1C ZINC000409229374 1073021546 /nfs/dbraw/zinc/02/15/46/1073021546.db2.gz OCZRSCMDNIEIMV-CIAFOILYSA-N -1 0 541.551 5.039 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409228996 1073022580 /nfs/dbraw/zinc/02/25/80/1073022580.db2.gz IGUASUPYYUPMME-MFKUBSTISA-N -1 0 567.627 5.638 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409228806 1073025702 /nfs/dbraw/zinc/02/57/02/1073025702.db2.gz FMFBXRNGIWQURH-GZTJUZNOSA-N -1 0 501.442 5.013 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409228444 1073027158 /nfs/dbraw/zinc/02/71/58/1073027158.db2.gz YWGCPGYDRDPCFB-ZMTLZGASSA-N -1 0 523.836 5.120 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409228022 1073029040 /nfs/dbraw/zinc/02/90/40/1073029040.db2.gz ZHWDRHDYWSTJJP-WOJGMQOQSA-N -1 0 558.805 5.639 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409227680 1073030185 /nfs/dbraw/zinc/03/01/85/1073030185.db2.gz ZRXVXLUNZPLOPC-VCHYOVAHSA-N -1 0 544.778 5.331 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227718 1073030348 /nfs/dbraw/zinc/03/03/48/1073030348.db2.gz VQIVWFZKFBHMDS-FYJGNVAPSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)o2)c(Br)c1 ZINC000409236701 1073037826 /nfs/dbraw/zinc/03/78/26/1073037826.db2.gz GLBFIINYHINFCN-GZTJUZNOSA-N -1 0 501.789 5.502 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409236316 1073038973 /nfs/dbraw/zinc/03/89/73/1073038973.db2.gz DVNSZCHCBAPUKR-CIAFOILYSA-N -1 0 503.986 5.622 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000409235988 1073041839 /nfs/dbraw/zinc/04/18/39/1073041839.db2.gz QZWZXVQFAUERAQ-XDHOZWIPSA-N -1 0 538.818 6.625 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4OCC)C3=O)c2-c2ccccc2)cc1 ZINC000409234584 1073048723 /nfs/dbraw/zinc/04/87/23/1073048723.db2.gz NYPRQSGUSALYNZ-WMMMYUQOSA-N -1 0 625.681 7.053 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409234647 1073049133 /nfs/dbraw/zinc/04/91/33/1073049133.db2.gz OJXZXONGNZWHIJ-UYRXBGFRSA-N -1 0 524.404 5.967 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409230666 1073068355 /nfs/dbraw/zinc/06/83/55/1073068355.db2.gz FELMIQYESFZQNZ-FYJGNVAPSA-N -1 0 522.468 5.613 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409246971 1073072572 /nfs/dbraw/zinc/07/25/72/1073072572.db2.gz ACHLDAAEEFBKBE-STZFKDTASA-N -1 0 562.022 5.348 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4OCC)C3=O)c1C)CCCC2 ZINC000409242584 1073095837 /nfs/dbraw/zinc/09/58/37/1073095837.db2.gz OXGPYOAZRVHEKV-LTGZKZEYSA-N -1 0 561.660 5.276 40 10 KKCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)cc1 ZINC000409242482 1073097115 /nfs/dbraw/zinc/09/71/15/1073097115.db2.gz NWVBHPHFDGZDQG-OCSSWDANSA-N -1 0 548.708 7.280 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000409241898 1073099011 /nfs/dbraw/zinc/09/90/11/1073099011.db2.gz ZFXILICERLPDDC-XSFVSMFZSA-N -1 0 534.399 6.062 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409240418 1073107840 /nfs/dbraw/zinc/10/78/40/1073107840.db2.gz TWXAJOVQZCKRNK-OKCVXOCRSA-N -1 0 563.767 7.010 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409240456 1073108260 /nfs/dbraw/zinc/10/82/60/1073108260.db2.gz PUOIWAKWGGRSIM-JFLMPSFJSA-N -1 0 610.057 7.177 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)c(Br)c1O ZINC000409237858 1073124927 /nfs/dbraw/zinc/12/49/27/1073124927.db2.gz KAAPNMREQKMKJY-WUXMJOGZSA-N -1 0 574.678 5.109 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1OC ZINC000409251205 1073129403 /nfs/dbraw/zinc/12/94/03/1073129403.db2.gz OVOCSZIXYHYGJH-UCQKPKSFSA-N -1 0 713.525 5.480 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1)Nc1ccccc1Cl ZINC000409250472 1073134451 /nfs/dbraw/zinc/13/44/51/1073134451.db2.gz MBUOJGCFLITZDF-ITYLOYPMSA-N -1 0 582.012 5.603 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000409250421 1073135858 /nfs/dbraw/zinc/13/58/58/1073135858.db2.gz LKQNKEAJIDPKBF-NDENLUEZSA-N -1 0 629.330 5.369 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409250202 1073136442 /nfs/dbraw/zinc/13/64/42/1073136442.db2.gz QAMMPORQOKKJCP-WQRHYEAKSA-N -1 0 555.461 5.086 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409249414 1073143270 /nfs/dbraw/zinc/14/32/70/1073143270.db2.gz IBLXDSDDBDJXND-VEILYXNESA-N -1 0 605.647 5.575 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409248536 1073148841 /nfs/dbraw/zinc/14/88/41/1073148841.db2.gz DOZIPVYIQRVJER-LICLKQGHSA-N -1 0 589.229 5.440 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1OCC ZINC000409247676 1073154106 /nfs/dbraw/zinc/15/41/06/1073154106.db2.gz AGGLKCHWTUCDGZ-HZHRSRAPSA-N -1 0 650.526 5.937 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409256460 1073160169 /nfs/dbraw/zinc/16/01/69/1073160169.db2.gz ORPIOCHIPVYQOW-WGARJPEWSA-N -1 0 753.831 7.436 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409256361 1073161413 /nfs/dbraw/zinc/16/14/13/1073161413.db2.gz OFXNONKIQGFWCY-WQRHYEAKSA-N -1 0 632.884 6.128 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409256391 1073161883 /nfs/dbraw/zinc/16/18/83/1073161883.db2.gz OGZQUVLBLSTIBP-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409256113 1073163884 /nfs/dbraw/zinc/16/38/84/1073163884.db2.gz NYWROBGLQJYFRM-OEAKJJBVSA-N -1 0 592.446 5.149 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409255917 1073164509 /nfs/dbraw/zinc/16/45/09/1073164509.db2.gz LWTKNCUOBIUERV-KEBDBYFISA-N -1 0 582.440 5.611 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409255430 1073167340 /nfs/dbraw/zinc/16/73/40/1073167340.db2.gz ZRKINQJRTPPJGB-SRZZPIQSSA-N -1 0 596.467 6.001 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1OCC ZINC000409255141 1073168205 /nfs/dbraw/zinc/16/82/05/1073168205.db2.gz ZGGFPCYUXGBIFE-HZHRSRAPSA-N -1 0 606.075 5.828 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1C ZINC000409254548 1073171325 /nfs/dbraw/zinc/17/13/25/1073171325.db2.gz ZNIWYLLGMYLGIW-NDENLUEZSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409254586 1073171379 /nfs/dbraw/zinc/17/13/79/1073171379.db2.gz IDOTWBUHHHSHCR-ODLFYWEKSA-N -1 0 613.262 5.204 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c(C)c1 ZINC000409254683 1073172366 /nfs/dbraw/zinc/17/23/66/1073172366.db2.gz ZXESRSHIZNHUFH-KEBDBYFISA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c(C)c1 ZINC000409254383 1073174531 /nfs/dbraw/zinc/17/45/31/1073174531.db2.gz ILBQNVHQRFRAKQ-UNOMPAQXSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000409254028 1073176417 /nfs/dbraw/zinc/17/64/17/1073176417.db2.gz CVZSNBSWYGQTCY-ZDLGFXPLSA-N -1 0 658.259 5.112 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)C2=O)cc1OCC ZINC000409253730 1073179235 /nfs/dbraw/zinc/17/92/35/1073179235.db2.gz GOPYASQHCSEWNV-BUVRLJJBSA-N -1 0 592.048 5.520 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c1 ZINC000409253265 1073181595 /nfs/dbraw/zinc/18/15/95/1073181595.db2.gz FKLMJEDOQFXNID-NHDPSOOVSA-N -1 0 566.441 5.911 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409252938 1073183454 /nfs/dbraw/zinc/18/34/54/1073183454.db2.gz UMXAOQUAHDXLOZ-SSDVNMTOSA-N -1 0 673.891 5.644 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000409252730 1073185613 /nfs/dbraw/zinc/18/56/13/1073185613.db2.gz SLINWPPYSSZQST-SRZZPIQSSA-N -1 0 689.890 5.344 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1 ZINC000409252757 1073186039 /nfs/dbraw/zinc/18/60/39/1073186039.db2.gz SUMFVBDXNMIGTK-YSMPRRRNSA-N -1 0 733.413 7.091 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409252511 1073186065 /nfs/dbraw/zinc/18/60/65/1073186065.db2.gz SWBMUNFZPCAVHV-SRZZPIQSSA-N -1 0 596.467 6.001 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)c1C ZINC000409252076 1073189151 /nfs/dbraw/zinc/18/91/51/1073189151.db2.gz RZUMFXYDRGTLLC-GRSHGNNSSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1C ZINC000409252066 1073189164 /nfs/dbraw/zinc/18/91/64/1073189164.db2.gz RWWKTCSFTCNCHH-AWQFTUOYSA-N -1 0 661.734 6.166 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409252022 1073190413 /nfs/dbraw/zinc/19/04/13/1073190413.db2.gz BFFSHDQRDMGQIB-KEBDBYFISA-N -1 0 659.864 5.254 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OC ZINC000409267157 1073196668 /nfs/dbraw/zinc/19/66/68/1073196668.db2.gz MCLGUFKTQBOEPS-UCQKPKSFSA-N -1 0 680.552 5.946 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1C ZINC000409267202 1073197082 /nfs/dbraw/zinc/19/70/82/1073197082.db2.gz TZRZJRNKRVWWIL-YUMHPJSZSA-N -1 0 733.413 7.091 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409266890 1073198882 /nfs/dbraw/zinc/19/88/82/1073198882.db2.gz LOQIPQSZTFYEGG-BKUYFWCQSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000409266945 1073199266 /nfs/dbraw/zinc/19/92/66/1073199266.db2.gz ZGJHWKYBKBELIH-UDWIEESQSA-N -1 0 582.838 5.403 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000001891471 1073199628 /nfs/dbraw/zinc/19/96/28/1073199628.db2.gz VXZLOIVFIRVJIB-ZVHZXABRSA-N -1 0 562.072 6.058 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002588359 1073200504 /nfs/dbraw/zinc/20/05/04/1073200504.db2.gz WIRIWYAKXHFLJH-RGEXLXHISA-N -1 0 508.430 5.799 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409266582 1073200651 /nfs/dbraw/zinc/20/06/51/1073200651.db2.gz PZCPKVLCBPFNFX-SRZZPIQSSA-N -1 0 626.891 5.802 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409266328 1073202840 /nfs/dbraw/zinc/20/28/40/1073202840.db2.gz XXLXHXZMOKEHPA-YBEGLDIGSA-N -1 0 623.674 6.093 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000409266353 1073203234 /nfs/dbraw/zinc/20/32/34/1073203234.db2.gz WDTWOFSAGKSPCD-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265948 1073204491 /nfs/dbraw/zinc/20/44/91/1073204491.db2.gz VGYSMCRZLOSDNP-JMIUGGIZSA-N -1 0 613.410 5.293 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409265700 1073205665 /nfs/dbraw/zinc/20/56/65/1073205665.db2.gz OAFRKGLLSUBAQS-JMIUGGIZSA-N -1 0 672.286 5.421 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265411 1073207165 /nfs/dbraw/zinc/20/71/65/1073207165.db2.gz SITHHYPOECZLLF-MTJSOVHGSA-N -1 0 568.413 5.384 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OCC ZINC000409265357 1073207268 /nfs/dbraw/zinc/20/72/68/1073207268.db2.gz HSXXOPBFUKORQW-LFVJCYFKSA-N -1 0 606.075 5.828 40 10 KKCBRM COc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)c1 ZINC000033332591 1073207473 /nfs/dbraw/zinc/20/74/73/1073207473.db2.gz OSUVMBAUFKYWRF-HMAPJEAMSA-N -1 0 504.011 5.583 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409265066 1073207933 /nfs/dbraw/zinc/20/79/33/1073207933.db2.gz MLTFUHDZFSYBBO-ODLFYWEKSA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)cc1 ZINC000035045396 1073209296 /nfs/dbraw/zinc/20/92/96/1073209296.db2.gz WBIVFBMICKFTDK-KQWNVCNZSA-N -1 0 518.038 5.973 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409264385 1073212309 /nfs/dbraw/zinc/21/23/09/1073212309.db2.gz LBLFKAMTUUUCMA-ODLFYWEKSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409264606 1073212427 /nfs/dbraw/zinc/21/24/27/1073212427.db2.gz MMZPSDNPKLHWAT-JAIQZWGSSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000409264399 1073212715 /nfs/dbraw/zinc/21/27/15/1073212715.db2.gz LEQZRPGPDVIRIO-UFFVCSGVSA-N -1 0 675.761 6.474 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409264032 1073213646 /nfs/dbraw/zinc/21/36/46/1073213646.db2.gz KFTQURYJLGNMQC-QRVIBDJDSA-N -1 0 667.500 5.607 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409264037 1073213967 /nfs/dbraw/zinc/21/39/67/1073213967.db2.gz JGYUNPYSEXNOSI-BUVRLJJBSA-N -1 0 650.128 6.227 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263760 1073215555 /nfs/dbraw/zinc/21/55/55/1073215555.db2.gz BYADHACVBRWDJD-UUYOSTAYSA-N -1 0 582.440 5.693 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409263815 1073215890 /nfs/dbraw/zinc/21/58/90/1073215890.db2.gz MSLDYWDYLMRATB-IUXPMGMMSA-N -1 0 702.570 6.856 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000409263872 1073216231 /nfs/dbraw/zinc/21/62/31/1073216231.db2.gz CNWCAFYNPFEVBP-NVMNQCDNSA-N -1 0 658.259 5.112 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409263589 1073218171 /nfs/dbraw/zinc/21/81/71/1073218171.db2.gz IAGLMAYVQHKYSJ-PCLIKHOPSA-N -1 0 606.075 5.828 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)cc1C ZINC000409263413 1073218441 /nfs/dbraw/zinc/21/84/41/1073218441.db2.gz MPYAENSWEOABIC-JAIQZWGSSA-N -1 0 554.455 5.459 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409262146 1073222600 /nfs/dbraw/zinc/22/26/00/1073222600.db2.gz FMQVTMZAVYJROZ-RGVLZGJSSA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 ZINC000409261696 1073225353 /nfs/dbraw/zinc/22/53/53/1073225353.db2.gz CUXSLJPXFIBQMM-CIAFOILYSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409261824 1073225784 /nfs/dbraw/zinc/22/57/84/1073225784.db2.gz DGPXNQQFTNMKJE-ZDLGFXPLSA-N -1 0 617.283 6.057 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 ZINC000409261021 1073229937 /nfs/dbraw/zinc/22/99/37/1073229937.db2.gz ABKLDQCEQRVSOR-UNOMPAQXSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409260684 1073231527 /nfs/dbraw/zinc/23/15/27/1073231527.db2.gz UPOGNLKCNVZYOY-ZHZULCJRSA-N -1 0 642.890 5.584 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409260589 1073233003 /nfs/dbraw/zinc/23/30/03/1073233003.db2.gz SNPCCRUZZWYXFE-RGVLZGJSSA-N -1 0 657.315 5.521 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409260457 1073233703 /nfs/dbraw/zinc/23/37/03/1073233703.db2.gz QMXXPCWCDJSKCD-WQRHYEAKSA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409260207 1073235714 /nfs/dbraw/zinc/23/57/14/1073235714.db2.gz MNYYICTVCBHOMR-LPYMAVHISA-N -1 0 562.022 5.348 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1Cl ZINC000409259972 1073236212 /nfs/dbraw/zinc/23/62/12/1073236212.db2.gz INFCXTZPJJUJJI-CIAFOILYSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409259984 1073236634 /nfs/dbraw/zinc/23/66/34/1073236634.db2.gz IREZJZAUKSFLSQ-YDZHTSKRSA-N -1 0 562.022 5.348 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409259673 1073237906 /nfs/dbraw/zinc/23/79/06/1073237906.db2.gz CGEJUJIZFDMSEF-DEDYPNTBSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1Cl ZINC000409259791 1073238633 /nfs/dbraw/zinc/23/86/33/1073238633.db2.gz FKQDLGXVKGCQGR-UQQQWYQISA-N -1 0 660.908 6.365 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409259259 1073240179 /nfs/dbraw/zinc/24/01/79/1073240179.db2.gz XUEWFJYOLUOBAM-SRZZPIQSSA-N -1 0 673.891 5.644 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000409259220 1073240246 /nfs/dbraw/zinc/24/02/46/1073240246.db2.gz YBVWQTQQAFHMHH-CIAFOILYSA-N -1 0 643.288 5.213 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409259263 1073240604 /nfs/dbraw/zinc/24/06/04/1073240604.db2.gz XUYQHIBYTGNGDB-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409259198 1073241876 /nfs/dbraw/zinc/24/18/76/1073241876.db2.gz XXSWVFAMNGQXNT-ODLFYWEKSA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409258921 1073242240 /nfs/dbraw/zinc/24/22/40/1073242240.db2.gz YHDBPVSLNUZJOW-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409257994 1073248917 /nfs/dbraw/zinc/24/89/17/1073248917.db2.gz SKEKKENHNDGNOK-HZHRSRAPSA-N -1 0 592.446 5.149 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409257762 1073249182 /nfs/dbraw/zinc/24/91/82/1073249182.db2.gz UTHKPXGETCGKSQ-WGARJPEWSA-N -1 0 704.961 6.682 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409257776 1073249212 /nfs/dbraw/zinc/24/92/12/1073249212.db2.gz UXLSODFEAHMJAX-MTJSOVHGSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409257355 1073252082 /nfs/dbraw/zinc/25/20/82/1073252082.db2.gz OFENYLOPAMABDV-IUXPMGMMSA-N -1 0 696.179 6.819 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1Cl ZINC000409272471 1073255695 /nfs/dbraw/zinc/25/56/95/1073255695.db2.gz QMDZYANXJYJBRN-QGMBQPNBSA-N -1 0 665.697 5.996 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409272328 1073256410 /nfs/dbraw/zinc/25/64/10/1073256410.db2.gz PQRBMGVLUUNURY-BOPFTXTBSA-N -1 0 544.778 5.331 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000409272162 1073258093 /nfs/dbraw/zinc/25/80/93/1073258093.db2.gz PBIMCRQLXLHQFT-ODLFYWEKSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409271772 1073259656 /nfs/dbraw/zinc/25/96/56/1073259656.db2.gz MXOWBMHCDUKULX-CIAFOILYSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409270611 1073268397 /nfs/dbraw/zinc/26/83/97/1073268397.db2.gz HRLDGCAIOQUWFK-YDZHTSKRSA-N -1 0 503.580 5.084 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269890 1073273326 /nfs/dbraw/zinc/27/33/26/1073273326.db2.gz ASKBVCZBOMXAGO-SSDVNMTOSA-N -1 0 596.467 6.001 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1 ZINC000409269354 1073277128 /nfs/dbraw/zinc/27/71/28/1073277128.db2.gz HSBUREICPZMTOL-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1Cl ZINC000409269198 1073279018 /nfs/dbraw/zinc/27/90/18/1073279018.db2.gz GWPLZTMVKUYMSR-WOJGMQOQSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000409269036 1073280071 /nfs/dbraw/zinc/28/00/71/1073280071.db2.gz DEMDMQKPYGZBDM-OCKHKDLRSA-N -1 0 696.179 6.819 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269002 1073280106 /nfs/dbraw/zinc/28/01/06/1073280106.db2.gz CSBMLKVWNJGKPT-FMCGGJTJSA-N -1 0 653.473 5.217 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1C ZINC000409268811 1073282414 /nfs/dbraw/zinc/28/24/14/1073282414.db2.gz AVRSHOVFMYLRFB-MTJSOVHGSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409268463 1073283580 /nfs/dbraw/zinc/28/35/80/1073283580.db2.gz UAOGBSVQLJZZFP-FBHDLOMBSA-N -1 0 673.891 5.562 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409268518 1073284047 /nfs/dbraw/zinc/28/40/47/1073284047.db2.gz UXNQAXKMPZZMCA-KEBDBYFISA-N -1 0 582.440 5.611 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1 ZINC000409268098 1073286643 /nfs/dbraw/zinc/28/66/43/1073286643.db2.gz ZOGIBXVAOADBTJ-JAIQZWGSSA-N -1 0 685.325 5.299 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409268080 1073286719 /nfs/dbraw/zinc/28/67/19/1073286719.db2.gz ZFAFGWCSMPQMMO-RGVLZGJSSA-N -1 0 626.891 5.802 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409267894 1073287117 /nfs/dbraw/zinc/28/71/17/1073287117.db2.gz PSJKCQMEWJKRAX-HYARGMPZSA-N -1 0 652.498 5.329 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1Cl ZINC000409267704 1073287870 /nfs/dbraw/zinc/28/78/70/1073287870.db2.gz XFBOHRUQKBQNLR-YSMPRRRNSA-N -1 0 630.484 6.565 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1C ZINC000409267545 1073288710 /nfs/dbraw/zinc/28/87/10/1073288710.db2.gz NNQWWHAAJNRVIB-JJFYIABZSA-N -1 0 566.441 5.911 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267312 1073290316 /nfs/dbraw/zinc/29/03/16/1073290316.db2.gz UVZPZVMCUAKWAQ-OCKHKDLRSA-N -1 0 633.282 5.757 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409267355 1073290576 /nfs/dbraw/zinc/29/05/76/1073290576.db2.gz UCBZZATXMFSBGN-YUMHPJSZSA-N -1 0 731.543 6.180 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1Cl ZINC000409273330 1073334469 /nfs/dbraw/zinc/33/44/69/1073334469.db2.gz XGRDQCWRVOBTPZ-DJKKODMXSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409273109 1073334837 /nfs/dbraw/zinc/33/48/37/1073334837.db2.gz VLTNKPWFMFQDNX-NDENLUEZSA-N -1 0 659.864 5.336 40 10 KKCBRM COc1ccccc1/C=C1\N=C(c2ccccc2)N(c2ccc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2)C1=O ZINC000001092284 518168424 /nfs/dbraw/zinc/16/84/24/518168424.db2.gz NOFHRQATWZGSKP-AMQAWDDFSA-N -1 0 584.632 5.437 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000000808975 551543696 /nfs/dbraw/zinc/54/36/96/551543696.db2.gz WCGZGCWWLPPDNO-ODLFYWEKSA-N -1 0 516.193 5.217 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000001438515 551671936 /nfs/dbraw/zinc/67/19/36/551671936.db2.gz IUFIBLIEPQKTBO-HYARGMPZSA-N -1 0 500.352 5.119 40 10 KKCBRM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000019326081 553613480 /nfs/dbraw/zinc/61/34/80/553613480.db2.gz JQVPXEFXRAMXGI-UHFFFAOYSA-N -1 0 547.479 6.140 40 10 KKCBRM COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1Sc1ccccc1 ZINC000020287586 553632804 /nfs/dbraw/zinc/63/28/04/553632804.db2.gz VMJROWOHQOQRER-UQQQWYQISA-N -1 0 514.632 6.099 40 10 KKCBRM COc1cc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)c(OC)cc1Cl ZINC000020288350 553633455 /nfs/dbraw/zinc/63/34/55/553633455.db2.gz VZTJNDNSWGOLIH-HAHDFKILSA-N -1 0 504.999 6.104 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000083296266 553676699 /nfs/dbraw/zinc/67/66/99/553676699.db2.gz RGADZQICWYGLFF-CPNJWEJPSA-N -1 0 511.759 6.188 40 10 KKCBRM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1 ZINC000027369917 553825554 /nfs/dbraw/zinc/82/55/54/553825554.db2.gz GDKKBVMQTVCNMG-XSFVSMFZSA-N -1 0 502.353 7.423 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCCOc3ccc(C)cc3)C2=O)cc1 ZINC000097957978 553850144 /nfs/dbraw/zinc/85/01/44/553850144.db2.gz GGBSTLKBWZLSTJ-KQWNVCNZSA-N -1 0 551.393 5.731 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000097958118 553851479 /nfs/dbraw/zinc/85/14/79/553851479.db2.gz FTOSTQYKAICJJS-OEAKJJBVSA-N -1 0 550.995 5.939 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000032109620 553863613 /nfs/dbraw/zinc/86/36/13/553863613.db2.gz SLLPKMPXVLXINN-YDZHTSKRSA-N -1 0 503.580 5.084 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1O ZINC000032117120 553865272 /nfs/dbraw/zinc/86/52/72/553865272.db2.gz NESGDJYTDRRFCF-POHAHGRESA-N -1 0 500.132 5.367 40 10 KKCBRM O=C([O-])c1cc(Br)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000032121346 553865652 /nfs/dbraw/zinc/86/56/52/553865652.db2.gz LSSILYRJBVYFQD-ROKPMTFOSA-N -1 0 510.815 7.206 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000097964527 553899198 /nfs/dbraw/zinc/89/91/98/553899198.db2.gz ITYUPXUEJRXEBE-WATSXHCISA-N -1 0 621.528 7.634 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097964525 553899218 /nfs/dbraw/zinc/89/92/18/553899218.db2.gz DPMSDXHIWAUNGL-LFVJCYFKSA-N -1 0 607.501 7.028 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097965017 553902213 /nfs/dbraw/zinc/90/22/13/553902213.db2.gz MRISUXBRLCWKIC-IMRQLAEWSA-N -1 0 623.533 8.404 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1c(C)cccc1C ZINC000033524993 553961717 /nfs/dbraw/zinc/96/17/17/553961717.db2.gz UIMYYAMQVPCPEE-PXLXIMEGSA-N -1 0 504.539 5.255 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(I)o1 ZINC000097972264 553966416 /nfs/dbraw/zinc/96/64/16/553966416.db2.gz AHDWHLFNINORNS-JMIUGGIZSA-N -1 0 542.373 5.859 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000100055394 554196260 /nfs/dbraw/zinc/19/62/60/554196260.db2.gz BLJFTNNVTSRWFD-DEDYPNTBSA-N -1 0 556.210 5.457 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000100115017 554222957 /nfs/dbraw/zinc/22/29/57/554222957.db2.gz MRFMZNOVBQRPON-NDENLUEZSA-N -1 0 604.242 5.436 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000100115355 554223202 /nfs/dbraw/zinc/22/32/02/554223202.db2.gz VXBVQNNAQDGBLW-NDENLUEZSA-N -1 0 559.283 5.450 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000100182079 554242029 /nfs/dbraw/zinc/24/20/29/554242029.db2.gz JSRWMMDKRYLWCK-HYARGMPZSA-N -1 0 551.393 5.102 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000100216153 554250629 /nfs/dbraw/zinc/25/06/29/554250629.db2.gz KGPZIGKNVLPNIP-OCKHKDLRSA-N -1 0 546.750 5.800 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100226386 554253184 /nfs/dbraw/zinc/25/31/84/554253184.db2.gz IHKXLKRRYYOFOS-RGVLZGJSSA-N -1 0 545.806 6.291 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100226396 554253292 /nfs/dbraw/zinc/25/32/92/554253292.db2.gz YCEHSVXZZHWULA-RGVLZGJSSA-N -1 0 606.325 6.565 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100226497 554253564 /nfs/dbraw/zinc/25/35/64/554253564.db2.gz GAZNDVURLWIFPS-UNOMPAQXSA-N -1 0 618.880 5.754 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230286 554256155 /nfs/dbraw/zinc/25/61/55/554256155.db2.gz BUOLWSYRPUEHRW-KEBDBYFISA-N -1 0 620.283 6.409 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000100241258 554260206 /nfs/dbraw/zinc/26/02/06/554260206.db2.gz BGOGTUYKPCTYJI-BKUYFWCQSA-N -1 0 551.393 5.102 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000100241253 554260220 /nfs/dbraw/zinc/26/02/20/554260220.db2.gz LBJPATDEOQSFNI-MTJSOVHGSA-N -1 0 585.838 5.755 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)[N-]C2=S)c1 ZINC000100247910 554261786 /nfs/dbraw/zinc/26/17/86/554261786.db2.gz VIRPAUPIWLZDJH-CIAFOILYSA-N -1 0 555.425 5.397 40 10 KKCBRM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000041108545 554295551 /nfs/dbraw/zinc/29/55/51/554295551.db2.gz LHWDIFVVXQIMAO-QPEQYQDCSA-N -1 0 505.640 5.976 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100320354 554304811 /nfs/dbraw/zinc/30/48/11/554304811.db2.gz OPDHNNRZYYRCBF-YBFXNURJSA-N -1 0 602.812 5.507 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000100320678 554305153 /nfs/dbraw/zinc/30/51/53/554305153.db2.gz NBTKETJLWCSQEY-QGMBQPNBSA-N -1 0 594.220 6.149 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100320950 554305168 /nfs/dbraw/zinc/30/51/68/554305168.db2.gz KAFRCSTVJZFJPN-YBFXNURJSA-N -1 0 602.304 5.631 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)c1 ZINC000058849414 554368871 /nfs/dbraw/zinc/36/88/71/554368871.db2.gz NCIFAEIVWNIJQR-GTNJKRJXSA-N -1 0 522.623 5.348 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058849633 554369180 /nfs/dbraw/zinc/36/91/80/554369180.db2.gz JOOPNRDKUGMRED-WZOHSFFVSA-N -1 0 501.435 6.629 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000100397083 554370887 /nfs/dbraw/zinc/37/08/87/554370887.db2.gz IGUNRUCUCLVXLO-VCHYOVAHSA-N -1 0 590.655 6.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccccc1N1CCOCC1 ZINC000059104109 554379408 /nfs/dbraw/zinc/37/94/08/554379408.db2.gz QLNYFJUMBZTGTG-QQXSKIMKSA-N -1 0 511.622 5.498 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(C)C)c3C)C2=O)c1 ZINC000059104754 554379955 /nfs/dbraw/zinc/37/99/55/554379955.db2.gz KMIBDBLUDGGWPB-LFVJCYFKSA-N -1 0 515.610 6.522 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000059106193 554380593 /nfs/dbraw/zinc/38/05/93/554380593.db2.gz BCDJQVQGWDHBLB-YBEGLDIGSA-N -1 0 500.236 5.263 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000059135134 554381152 /nfs/dbraw/zinc/38/11/52/554381152.db2.gz DDIHQTBBPJBGDH-YBFXNURJSA-N -1 0 513.294 5.177 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000059135458 554381571 /nfs/dbraw/zinc/38/15/71/554381571.db2.gz XXVJNDZMUGEIID-RGVLZGJSSA-N -1 0 512.896 5.467 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000059135990 554382053 /nfs/dbraw/zinc/38/20/53/554382053.db2.gz CZRHKFFPCNPCIX-KPKJPENVSA-N -1 0 506.298 5.972 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000059136111 554382374 /nfs/dbraw/zinc/38/23/74/554382374.db2.gz DXGOYUDFAYWREN-LICLKQGHSA-N -1 0 514.937 5.877 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100524952 554409846 /nfs/dbraw/zinc/40/98/46/554409846.db2.gz YBBJBGAIKLYFTH-SZKYFQMISA-N -1 0 578.879 7.332 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100525117 554409871 /nfs/dbraw/zinc/40/98/71/554409871.db2.gz SMCQSNFEQNIUBM-UPCARPLXSA-N -1 0 554.213 6.663 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)c(C)c1 ZINC000059860654 554456175 /nfs/dbraw/zinc/45/61/75/554456175.db2.gz OPGOWWFTXZIQAT-KGENOOAVSA-N -1 0 505.368 6.152 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000059861229 554456195 /nfs/dbraw/zinc/45/61/95/554456195.db2.gz XXOWEKPJHXTMJU-LICLKQGHSA-N -1 0 503.349 5.150 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000100952619 554537763 /nfs/dbraw/zinc/53/77/63/554537763.db2.gz OHBCXQVFZUCMKF-AJBULDERSA-N -1 0 572.592 6.803 40 10 KKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000101012728 554558554 /nfs/dbraw/zinc/55/85/54/554558554.db2.gz QUUHKOJIVYBHBX-HNENSFHCSA-N -1 0 525.490 5.568 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC1=S ZINC000101095233 554584443 /nfs/dbraw/zinc/58/44/43/554584443.db2.gz DKUPVPZBRAEKPM-FRKPEAEDSA-N -1 0 533.252 5.621 40 10 KKCBRM CC(=Nc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000101623657 554810696 /nfs/dbraw/zinc/81/06/96/554810696.db2.gz HQAPCUQIKVATKE-LPYMAVHISA-N -1 0 513.385 5.872 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCc1ccc(Br)cc1 ZINC000101740681 554834227 /nfs/dbraw/zinc/83/42/27/554834227.db2.gz PVPIKYDMPRUBPF-XDHOZWIPSA-N -1 0 522.442 5.103 40 10 KKCBRM Cc1ccc(CN2c3ccccc3/C(=C3\SC(=S)N(CCCCCCCCCCC(=O)[O-])C3=O)C2=O)cc1 ZINC000103625814 555457709 /nfs/dbraw/zinc/45/77/09/555457709.db2.gz MACOJRWIDNGGFV-CYYJNZCTSA-N -1 0 550.746 6.709 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000103814262 555482079 /nfs/dbraw/zinc/48/20/79/555482079.db2.gz IMSYNKWRRBXGAM-RWPZCVJISA-N -1 0 597.111 7.062 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000103814615 555482352 /nfs/dbraw/zinc/48/23/52/555482352.db2.gz ITTMUEODFYUTRO-UDWIEESQSA-N -1 0 582.394 5.162 40 10 KKCBRM COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000020289173 571360597 /nfs/dbraw/zinc/36/05/97/571360597.db2.gz ANAWBRAWBYCQHA-RRAHZORUSA-N -1 0 520.545 6.533 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)c1 ZINC000103842818 571362516 /nfs/dbraw/zinc/36/25/16/571362516.db2.gz LXROSYRAYBFJPH-LPYMAVHISA-N -1 0 626.037 5.359 40 10 KKCBRM COc1cc(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O ZINC000103844566 571362920 /nfs/dbraw/zinc/36/29/20/571362920.db2.gz DZNIAGYWUFHNFL-LSHDLFTRSA-N -1 0 598.437 5.140 40 10 KKCBRM COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)c1 ZINC000103846011 571363187 /nfs/dbraw/zinc/36/31/87/571363187.db2.gz QYTNFFCZZMZLJC-RWPZCVJISA-N -1 0 564.638 6.176 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1 ZINC000103846696 571363469 /nfs/dbraw/zinc/36/34/69/571363469.db2.gz VEBQTMXGKJKRGG-XDHOZWIPSA-N -1 0 559.283 5.450 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 ZINC000103849396 571363956 /nfs/dbraw/zinc/36/39/56/571363956.db2.gz OGYDZQUXAUAMFP-VXLYETTFSA-N -1 0 588.227 5.905 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000103849106 571363977 /nfs/dbraw/zinc/36/39/77/571363977.db2.gz AHKQOXUFMVWUED-YBFXNURJSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000103849613 571364162 /nfs/dbraw/zinc/36/41/62/571364162.db2.gz LEPNXRYPWGCNBM-GIJQJNRQSA-N -1 0 564.194 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000103849489 571364224 /nfs/dbraw/zinc/36/42/24/571364224.db2.gz QDXGKADTSXBHNA-GIJQJNRQSA-N -1 0 547.739 5.626 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000103849775 571364337 /nfs/dbraw/zinc/36/43/37/571364337.db2.gz NCUMWYFJUKZVSG-QGMBQPNBSA-N -1 0 549.769 6.040 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000103850064 571364358 /nfs/dbraw/zinc/36/43/58/571364358.db2.gz GFFCVVKZZXLOLW-FYJGNVAPSA-N -1 0 586.357 5.074 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000103850382 571364454 /nfs/dbraw/zinc/36/44/54/571364454.db2.gz LVNBKHQDALEUQF-ZVHZXABRSA-N -1 0 589.417 6.386 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000103850414 571364512 /nfs/dbraw/zinc/36/45/12/571364512.db2.gz KTKKSMSVLLRDNA-YBFXNURJSA-N -1 0 604.347 5.214 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000103850485 571364640 /nfs/dbraw/zinc/36/46/40/571364640.db2.gz GAYUMZQWLHMOQK-DJKKODMXSA-N -1 0 608.247 6.539 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000103851209 571364759 /nfs/dbraw/zinc/36/47/59/571364759.db2.gz YECHRLXNMAMMNT-GZTJUZNOSA-N -1 0 529.362 5.138 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103850941 571364774 /nfs/dbraw/zinc/36/47/74/571364774.db2.gz OXVIQTPUGQJITA-WOJGMQOQSA-N -1 0 545.419 5.942 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000103851147 571364871 /nfs/dbraw/zinc/36/48/71/571364871.db2.gz ICXSNJPQOMHFPU-YBEGLDIGSA-N -1 0 575.843 5.661 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000103851476 571364901 /nfs/dbraw/zinc/36/49/01/571364901.db2.gz DWWPPTNYUHXDBH-KGENOOAVSA-N -1 0 548.437 5.731 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000103851657 571364909 /nfs/dbraw/zinc/36/49/09/571364909.db2.gz PNEVGCYOMSPYAU-OQLLNIDSSA-N -1 0 563.807 5.791 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000103851507 571364992 /nfs/dbraw/zinc/36/49/92/571364992.db2.gz YPLADOJTBZSIOR-LFIBNONCSA-N -1 0 545.817 5.652 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103852088 571365251 /nfs/dbraw/zinc/36/52/51/571365251.db2.gz RCPJGEHBRZCWMB-LICLKQGHSA-N -1 0 559.388 5.146 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103852071 571365264 /nfs/dbraw/zinc/36/52/64/571365264.db2.gz VRDVGUTWBUEARU-LICLKQGHSA-N -1 0 575.843 5.661 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000103852208 571365332 /nfs/dbraw/zinc/36/53/32/571365332.db2.gz DXXJTVLUWQXTSE-WOJGMQOQSA-N -1 0 555.425 5.316 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103855379 571366000 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CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2Cl)c(=O)c1[C@H](Cl)[C@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C(=O)OCC ZINC000150668036 571528727 /nfs/dbraw/zinc/52/87/27/571528727.db2.gz YJACLDRDHRHGRQ-FXJWSJNKSA-N -1 0 683.159 5.733 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224369653 571531566 /nfs/dbraw/zinc/53/15/66/571531566.db2.gz SPTYMELYTXRUJH-WUFINQPMSA-N -1 0 510.663 6.488 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224372773 571532419 /nfs/dbraw/zinc/53/24/19/571532419.db2.gz XGWGGUYFQYMEAK-FQLXRVMXSA-N -1 0 524.690 6.796 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224404881 571539012 /nfs/dbraw/zinc/53/90/12/571539012.db2.gz XBVGDUUYCMRBIY-FTJBHMTQSA-N -1 0 500.599 5.812 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223766665 571540751 /nfs/dbraw/zinc/54/07/51/571540751.db2.gz CRAACFLZXOSKFN-RRPNLBNLSA-N -1 0 512.635 5.681 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223766598 571540772 /nfs/dbraw/zinc/54/07/72/571540772.db2.gz CRAACFLZXOSKFN-SXOMAYOGSA-N -1 0 512.635 5.681 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc5c(c4)OCO5)cc3Br)C2=O)c1 ZINC000164317923 571545581 /nfs/dbraw/zinc/54/55/81/571545581.db2.gz AQMOIWFKCWNYSX-RGVLZGJSSA-N -1 0 639.455 5.229 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000164312796 571545602 /nfs/dbraw/zinc/54/56/02/571545602.db2.gz LFXQJPLQPBOGPA-KKMKTNMSSA-N -1 0 863.328 8.372 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)c1 ZINC000164324744 571545743 /nfs/dbraw/zinc/54/57/43/571545743.db2.gz SCDGWSFGPLTKAR-YBFXNURJSA-N -1 0 634.310 6.799 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(I)c3)C2=O)c1 ZINC000164335112 571545812 /nfs/dbraw/zinc/54/58/12/571545812.db2.gz CCVDDJMUCGEZLT-PCLIKHOPSA-N -1 0 662.480 6.487 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)c1 ZINC000164329448 571545833 /nfs/dbraw/zinc/54/58/33/571545833.db2.gz HAKRZSRKCNDTQB-RGVLZGJSSA-N -1 0 770.212 6.859 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000164342728 571545984 /nfs/dbraw/zinc/54/59/84/571545984.db2.gz ADWOZEDHPCVOPG-WKULSOCRSA-N -1 0 698.614 7.000 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)c1 ZINC000164335686 571546015 /nfs/dbraw/zinc/54/60/15/571546015.db2.gz GCZZKXUJHKDIDQ-CIAFOILYSA-N -1 0 674.342 6.263 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)c1 ZINC000164341164 571546049 /nfs/dbraw/zinc/54/60/49/571546049.db2.gz XNAKGBJDJSJCOF-DJKKODMXSA-N -1 0 735.325 5.825 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223800559 571546318 /nfs/dbraw/zinc/54/63/18/571546318.db2.gz BSNIMDYQWXFUPY-SXOMAYOGSA-N -1 0 512.635 5.763 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)c1 ZINC000164346155 571546301 /nfs/dbraw/zinc/54/63/01/571546301.db2.gz AHIIOLXQVRDBHL-YBFXNURJSA-N -1 0 772.761 6.592 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000164372049 571546501 /nfs/dbraw/zinc/54/65/01/571546501.db2.gz VSOVSXOLUUIUJF-WSDLNYQXSA-N -1 0 624.260 6.749 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 ZINC000164377217 571546706 /nfs/dbraw/zinc/54/67/06/571546706.db2.gz RWLGSFKMKWAYCZ-VXLYETTFSA-N -1 0 682.227 5.589 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000164376123 571546768 /nfs/dbraw/zinc/54/67/68/571546768.db2.gz SITPLHSVXMBZBP-RQZCQDPDSA-N -1 0 702.645 5.934 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000164390698 571546928 /nfs/dbraw/zinc/54/69/28/571546928.db2.gz WOHOXOSISIBQNP-OQLLNIDSSA-N -1 0 624.713 6.414 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000164394331 571546970 /nfs/dbraw/zinc/54/69/70/571546970.db2.gz NGLSXUXQYKYSJU-CXUHLZMHSA-N -1 0 655.258 5.742 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 ZINC000164394456 571546974 /nfs/dbraw/zinc/54/69/74/571546974.db2.gz VQDUEVYUSRFKJZ-CXUHLZMHSA-N -1 0 655.258 5.742 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164401030 571547275 /nfs/dbraw/zinc/54/72/75/571547275.db2.gz AKZSFEOUIRPZHL-LICLKQGHSA-N -1 0 667.294 5.612 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000164402594 571547277 /nfs/dbraw/zinc/54/72/77/571547277.db2.gz HYSPVGZHIPRAEX-LICLKQGHSA-N -1 0 620.294 5.770 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1F ZINC000164405872 571547330 /nfs/dbraw/zinc/54/73/30/571547330.db2.gz DDEHIPVJHVWFRX-GZTJUZNOSA-N -1 0 620.415 5.378 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000164407786 571547468 /nfs/dbraw/zinc/54/74/68/571547468.db2.gz VSCVFHDWXBMMPX-WOJGMQOQSA-N -1 0 634.321 6.160 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164444379 571547686 /nfs/dbraw/zinc/54/76/86/571547686.db2.gz AVLXRPVUEUCQQX-RQZCQDPDSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000164454192 571547974 /nfs/dbraw/zinc/54/79/74/571547974.db2.gz CLHHAHCTJXXDGP-YBFXNURJSA-N -1 0 729.106 5.904 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164457107 571548189 /nfs/dbraw/zinc/54/81/89/571548189.db2.gz UJGGQUIFBFVFTN-GIJQJNRQSA-N -1 0 774.103 5.812 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164457551 571548246 /nfs/dbraw/zinc/54/82/46/571548246.db2.gz CNZOWTAOQHVKNQ-WSDLNYQXSA-N -1 0 779.166 7.057 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000164480936 571548829 /nfs/dbraw/zinc/54/88/29/571548829.db2.gz KAMFBNWYTWFZSA-UDWIEESQSA-N -1 0 649.304 5.473 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164593362 571550237 /nfs/dbraw/zinc/55/02/37/571550237.db2.gz CGMJSAOSRDMGLM-BUVRLJJBSA-N -1 0 663.652 7.733 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164586483 571550250 /nfs/dbraw/zinc/55/02/50/571550250.db2.gz BOCMKZITQWJXFV-WGOQTCKBSA-N -1 0 657.590 7.024 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224466499 571552507 /nfs/dbraw/zinc/55/25/07/571552507.db2.gz GARIQJWDFHISFD-DQEYMECFSA-N -1 0 503.027 6.018 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224497974 571560688 /nfs/dbraw/zinc/56/06/88/571560688.db2.gz IIUSAIXPGZKLPN-LOSJGSFVSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224501665 571561768 /nfs/dbraw/zinc/56/17/68/571561768.db2.gz WGRBRGADNREECO-CLJLJLNGSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223898741 571570614 /nfs/dbraw/zinc/57/06/14/571570614.db2.gz RKMZNTPODPFUHO-SXOMAYOGSA-N -1 0 511.651 5.430 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000206826366 571572911 /nfs/dbraw/zinc/57/29/11/571572911.db2.gz PKGYGTITZLYODG-CAOOACKPSA-N -1 0 577.305 6.019 40 10 KKCBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21 ZINC000208242288 571573625 /nfs/dbraw/zinc/57/36/25/571573625.db2.gz VRCBKQJYBBJWMS-WIJRQFRKSA-N -1 0 506.817 6.035 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000208522467 571574661 /nfs/dbraw/zinc/57/46/61/571574661.db2.gz QAVWEQFQSZJSRI-MHWRWJLKSA-N -1 0 503.374 5.164 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208712444 571575087 /nfs/dbraw/zinc/57/50/87/571575087.db2.gz RSDOXKGRERYKFM-SOFYXZRVSA-N -1 0 563.278 5.629 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000209562536 571575253 /nfs/dbraw/zinc/57/52/53/571575253.db2.gz LRTRLRIGERVTFF-ONUIUJJFSA-N -1 0 552.612 6.128 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000214792965 571581003 /nfs/dbraw/zinc/58/10/03/571581003.db2.gz CJCQAVLAHNROFS-SRZZPIQSSA-N -1 0 501.391 6.336 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)ccc1Cl ZINC000215091214 571582912 /nfs/dbraw/zinc/58/29/12/571582912.db2.gz GFXOKHUCZWZBPU-VXLYETTFSA-N -1 0 518.772 6.297 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223976901 571587305 /nfs/dbraw/zinc/58/73/05/571587305.db2.gz YJFKFSVWIOJVMW-SXOMAYOGSA-N -1 0 525.634 5.323 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223980833 571588172 /nfs/dbraw/zinc/58/81/72/571588172.db2.gz GUDXNHZFUDEPBD-VSGBNLITSA-N -1 0 539.661 5.631 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224642613 571593505 /nfs/dbraw/zinc/59/35/05/571593505.db2.gz DJPCIWDUKFZCKY-ROJLCIKYSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224642752 571593507 /nfs/dbraw/zinc/59/35/07/571593507.db2.gz DJPCIWDUKFZCKY-ACHIHNKUSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224016241 571595840 /nfs/dbraw/zinc/59/58/40/571595840.db2.gz VQYWXPBYHDVAFV-UIOOFZCWSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224020080 571596584 /nfs/dbraw/zinc/59/65/84/571596584.db2.gz DHECXAONKZDWQA-SXOMAYOGSA-N -1 0 526.618 5.402 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224673080 571600192 /nfs/dbraw/zinc/60/01/92/571600192.db2.gz OYPNRELPAQNRKS-ZWXJPIIXSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224676118 571601084 /nfs/dbraw/zinc/60/10/84/571601084.db2.gz JJCPAFVMAXINRU-CZNDPXEESA-N -1 0 588.733 7.774 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224059374 571604122 /nfs/dbraw/zinc/60/41/22/571604122.db2.gz DZCZPNUTRHCCFH-WDYNHAJCSA-N -1 0 591.133 6.351 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224707362 571607257 /nfs/dbraw/zinc/60/72/57/571607257.db2.gz DVKWRZXHRJYRRL-ACHIHNKUSA-N -1 0 574.706 7.465 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c(OC)c1 ZINC000224811726 571619388 /nfs/dbraw/zinc/61/93/88/571619388.db2.gz QBPDXYIYSUGSSK-NSOVKSMOSA-N -1 0 542.661 5.690 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224871772 571625306 /nfs/dbraw/zinc/62/53/06/571625306.db2.gz HEECASSWUBHJHA-RPBOFIJWSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224874514 571625673 /nfs/dbraw/zinc/62/56/73/571625673.db2.gz MANXTCNPOJPSRT-UIOOFZCWSA-N -1 0 533.053 6.032 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224900907 571628233 /nfs/dbraw/zinc/62/82/33/571628233.db2.gz DAXGAWPFLWTZBY-FTJBHMTQSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224901293 571628247 /nfs/dbraw/zinc/62/82/47/571628247.db2.gz YGPCJJOSBIIPKL-IZZNHLLZSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224930991 571631139 /nfs/dbraw/zinc/63/11/39/571631139.db2.gz XHFWRNSUMZUDFF-UIOOFZCWSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224933732 571631415 /nfs/dbraw/zinc/63/14/15/571631415.db2.gz KAUZWLWEDIRYGO-RRPNLBNLSA-N -1 0 575.532 6.744 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224960139 571633987 /nfs/dbraw/zinc/63/39/87/571633987.db2.gz SQWPIWIDBXYWTL-UIOOFZCWSA-N -1 0 533.053 6.026 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224960562 571634018 /nfs/dbraw/zinc/63/40/18/571634018.db2.gz FDFGTPYMTYDZCT-IZZNHLLZSA-N -1 0 533.053 6.026 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225075032 571644455 /nfs/dbraw/zinc/64/44/55/571644455.db2.gz PJKUBISENNZJFB-JHOUSYSJSA-N -1 0 617.731 6.382 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225160458 571653350 /nfs/dbraw/zinc/65/33/50/571653350.db2.gz ZGPIMPPHELDHSR-FQLXRVMXSA-N -1 0 553.688 6.021 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000225219614 571659233 /nfs/dbraw/zinc/65/92/33/571659233.db2.gz OTWJAQKNMVBPCI-WDYNHAJCSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000225247151 571662218 /nfs/dbraw/zinc/66/22/18/571662218.db2.gz AVTWRNIFIFKSHH-URLMMPGGSA-N -1 0 604.132 5.911 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225270861 571665040 /nfs/dbraw/zinc/66/50/40/571665040.db2.gz FLFALNPQIFRVFF-WDYNHAJCSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1OC ZINC000225299928 571668561 /nfs/dbraw/zinc/66/85/61/571668561.db2.gz ZZWZUNIHGKGBCB-KYJUHHDHSA-N -1 0 599.713 5.266 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1NC(C)=O ZINC000225320394 571675287 /nfs/dbraw/zinc/67/52/87/571675287.db2.gz UAENIPZGRSNRHU-VSGBNLITSA-N -1 0 555.660 5.331 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NC(C)=O ZINC000225322896 571678539 /nfs/dbraw/zinc/67/85/39/571678539.db2.gz WMRQGJYBAPORHN-WDYNHAJCSA-N -1 0 569.687 5.640 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225371816 571737541 /nfs/dbraw/zinc/73/75/41/571737541.db2.gz ZVOXFJXQNDGCKD-LOYHVIPDSA-N -1 0 552.700 6.686 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225431164 571798862 /nfs/dbraw/zinc/79/88/62/571798862.db2.gz QUESWOZNSBNRJS-VSGBNLITSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225456060 571827691 /nfs/dbraw/zinc/82/76/91/571827691.db2.gz QPWNSBGGESYVOU-RRPNLBNLSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225458188 571830045 /nfs/dbraw/zinc/83/00/45/571830045.db2.gz GVAJMLDSEZQGMG-VSGBNLITSA-N -1 0 589.743 5.353 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000260914023 571843869 /nfs/dbraw/zinc/84/38/69/571843869.db2.gz FZSNRJPTUXVOEH-HBFWWTAJSA-N -1 0 614.215 7.500 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484087 571854728 /nfs/dbraw/zinc/85/47/28/571854728.db2.gz ACOCMVFRYPTQSK-IZLXSDGUSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225529907 571896802 /nfs/dbraw/zinc/89/68/02/571896802.db2.gz FPQBJYGFVPEWQE-IZLXSDGUSA-N -1 0 539.661 5.189 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225529691 571896903 /nfs/dbraw/zinc/89/69/03/571896903.db2.gz GRNGOFROVMYLOM-IZLXSDGUSA-N -1 0 539.661 5.189 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225529677 571896920 /nfs/dbraw/zinc/89/69/20/571896920.db2.gz GRNGOFROVMYLOM-VSGBNLITSA-N -1 0 539.661 5.189 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225550756 571913748 /nfs/dbraw/zinc/91/37/48/571913748.db2.gz JUWSGKZGWRMXQU-IHLOFXLRSA-N -1 0 567.715 5.751 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225572335 571933469 /nfs/dbraw/zinc/93/34/69/571933469.db2.gz PPXUPKRVWAURII-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225613274 571964628 /nfs/dbraw/zinc/96/46/28/571964628.db2.gz TXJAMKPOASVPGM-NSOVKSMOSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225613214 571964652 /nfs/dbraw/zinc/96/46/52/571964652.db2.gz TXJAMKPOASVPGM-IZLXSDGUSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225632772 571984556 /nfs/dbraw/zinc/98/45/56/571984556.db2.gz HBZPLHNWVNKPRK-IOWSJCHKSA-N -1 0 581.742 6.114 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225648846 571997677 /nfs/dbraw/zinc/99/76/77/571997677.db2.gz SNBPKGJXLLUKGJ-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225670022 572011649 /nfs/dbraw/zinc/01/16/49/572011649.db2.gz WUZUKICGNZRPNU-KYJUHHDHSA-N -1 0 583.714 5.506 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225686980 572023078 /nfs/dbraw/zinc/02/30/78/572023078.db2.gz KPPKWTRQPXCOBT-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225706323 572036752 /nfs/dbraw/zinc/03/67/52/572036752.db2.gz WPIRMXBRTWCFOD-ROJLCIKYSA-N -1 0 589.721 6.342 40 10 KKCBRM CC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000263593869 572127225 /nfs/dbraw/zinc/12/72/25/572127225.db2.gz BTNCTWUHNXFUEN-GVNXJGQYSA-N -1 0 508.581 6.030 40 10 KKCBRM Cc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)cc1 ZINC000408527157 572159650 /nfs/dbraw/zinc/15/96/50/572159650.db2.gz CVUYJOSSXQVVOU-TWKHWXDSSA-N -1 0 610.736 5.842 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000408527776 572161403 /nfs/dbraw/zinc/16/14/03/572161403.db2.gz ABOPQMDNSHYSLU-MOSHPQCFSA-N -1 0 539.769 5.297 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)C1=O ZINC000408527765 572161419 /nfs/dbraw/zinc/16/14/19/572161419.db2.gz ABKSPYRYUPYIIB-UYRXBGFRSA-N -1 0 584.220 5.406 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408529330 572167959 /nfs/dbraw/zinc/16/79/59/572167959.db2.gz CQSPCWGBHKCHRM-FYJGNVAPSA-N -1 0 538.478 5.298 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C45CC6CC(CC(C6)C4)C5)ccc3Br)C2=O)cc1 ZINC000408529996 572170644 /nfs/dbraw/zinc/17/06/44/572170644.db2.gz IJFFIFXQSCBYBJ-XQNSMLJCSA-N -1 0 564.480 5.894 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408530347 572171072 /nfs/dbraw/zinc/17/10/72/572171072.db2.gz FCWUECFSXAAWLC-AOWRSFTHSA-N -1 0 671.254 5.414 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408530338 572171124 /nfs/dbraw/zinc/17/11/24/572171124.db2.gz FBUNEDUAUXJTAS-FJEAZPSFSA-N -1 0 709.225 6.424 40 10 KKCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408531217 572175194 /nfs/dbraw/zinc/17/51/94/572175194.db2.gz GMSGRMVWRCBYKU-WQRHYEAKSA-N -1 0 515.736 5.532 40 10 KKCBRM CC(=O)Nc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c1 ZINC000408531765 572177094 /nfs/dbraw/zinc/17/70/94/572177094.db2.gz LNKCAYMGSPTTFJ-HZHRSRAPSA-N -1 0 577.479 5.454 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1 ZINC000408533003 572181711 /nfs/dbraw/zinc/18/17/11/572181711.db2.gz JASICQTYOXEBNO-UYRXBGFRSA-N -1 0 570.193 5.097 40 10 KKCBRM O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c(N3CCCCC3)cc2[nH]1 ZINC000408533517 572183553 /nfs/dbraw/zinc/18/35/53/572183553.db2.gz SVDXVYLUWGGRDZ-HKOYGPOVSA-N -1 0 580.689 5.305 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408533576 572183595 /nfs/dbraw/zinc/18/35/95/572183595.db2.gz KEOXQSGLGIWXHN-ZDLGFXPLSA-N -1 0 649.635 5.659 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408533551 572183700 /nfs/dbraw/zinc/18/37/00/572183700.db2.gz KAYLZWZBHMYCPO-HSGJKIJMSA-N -1 0 516.937 5.024 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408533591 572183968 /nfs/dbraw/zinc/18/39/68/572183968.db2.gz KGAQLGRZFJDGHE-CGXKGLEISA-N -1 0 659.218 5.544 40 10 KKCBRM Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(C45CC6CC(CC(C6)C4)C5)c([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000408534013 572185293 /nfs/dbraw/zinc/18/52/93/572185293.db2.gz UNXXMNXIHVYJEP-KGENOOAVSA-N -1 0 593.478 6.021 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000408534140 572185340 /nfs/dbraw/zinc/18/53/40/572185340.db2.gz LMCGUQIYEPTHLB-UNOMPAQXSA-N -1 0 598.247 5.714 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408535216 572187736 /nfs/dbraw/zinc/18/77/36/572187736.db2.gz NGKFZIVCCDMWPO-JAVCTNCCSA-N -1 0 614.221 5.636 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)C2=O)cc1 ZINC000408535343 572188277 /nfs/dbraw/zinc/18/82/77/572188277.db2.gz NQSZSRXMEATUGP-UNOMPAQXSA-N -1 0 600.219 5.106 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408535398 572188332 /nfs/dbraw/zinc/18/83/32/572188332.db2.gz NYFOOURTZZUOQV-UNOMPAQXSA-N -1 0 615.190 5.005 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000408535612 572189034 /nfs/dbraw/zinc/18/90/34/572189034.db2.gz OGPLULSBNVOAHM-ODLFYWEKSA-N -1 0 710.116 6.010 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000408536021 572190154 /nfs/dbraw/zinc/19/01/54/572190154.db2.gz PNWVECWDZQMCKZ-GYPNLSDOSA-N -1 0 531.362 5.043 40 10 KKCBRM Cc1ccc2nsnc2c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408536275 572190618 /nfs/dbraw/zinc/19/06/18/572190618.db2.gz VRCRDOGJJQKJFI-CPNJWEJPSA-N -1 0 592.519 5.809 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408536608 572191557 /nfs/dbraw/zinc/19/15/57/572191557.db2.gz ADJSGALPHOQBDI-NLRVBDNBSA-N -1 0 552.558 5.659 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 ZINC000408536630 572191690 /nfs/dbraw/zinc/19/16/90/572191690.db2.gz AERWONYMQSCPQS-IMRQLAEWSA-N -1 0 593.592 5.818 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408536791 572192251 /nfs/dbraw/zinc/19/22/51/572192251.db2.gz SLGKNOMCQCRAKM-NVMNQCDNSA-N -1 0 653.110 6.712 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536792 572192314 /nfs/dbraw/zinc/19/23/14/572192314.db2.gz BEHONHFCURUDPQ-UCMJSZAQSA-N -1 0 719.190 8.151 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537013 572193273 /nfs/dbraw/zinc/19/32/73/572193273.db2.gz BUMYHXRWEUDBPU-XSVYLIDLSA-N -1 0 733.615 8.251 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537197 572193582 /nfs/dbraw/zinc/19/35/82/572193582.db2.gz CRKWMIVHDUHURD-VEILYXNESA-N -1 0 627.093 6.962 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537398 572194192 /nfs/dbraw/zinc/19/41/92/572194192.db2.gz DMYSSNXKSBZGME-QQXSKIMKSA-N -1 0 599.039 6.182 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408537424 572194425 /nfs/dbraw/zinc/19/44/25/572194425.db2.gz DYJCOCPSHFHGEK-TURZUDJPSA-N -1 0 657.517 6.681 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408537446 572194817 /nfs/dbraw/zinc/19/48/17/572194817.db2.gz FFPZITOSBMDVCL-QFEZKATASA-N -1 0 633.484 6.922 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccccc3)C2=O)c1 ZINC000408537483 572194905 /nfs/dbraw/zinc/19/49/05/572194905.db2.gz VRFSPRYNOKENNR-WUBPZDNYSA-N -1 0 610.258 5.805 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537663 572195504 /nfs/dbraw/zinc/19/55/04/572195504.db2.gz GSDGDFZRFPPQDT-VEILYXNESA-N -1 0 608.647 6.014 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537729 572195762 /nfs/dbraw/zinc/19/57/62/572195762.db2.gz HBPVFNRTEPZCDS-MZFJOGFUSA-N -1 0 812.511 9.014 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccco1 ZINC000408537633 572195769 /nfs/dbraw/zinc/19/57/69/572195769.db2.gz WKQUAJYJCOZYER-DHDCSXOGSA-N -1 0 594.599 5.344 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408537651 572195802 /nfs/dbraw/zinc/19/58/02/572195802.db2.gz WLXZMKIYEIQWPI-NDENLUEZSA-N -1 0 598.247 5.714 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537824 572196150 /nfs/dbraw/zinc/19/61/50/572196150.db2.gz HKWYJZBGBQBSFM-JVWAILMASA-N -1 0 627.093 6.880 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537877 572196180 /nfs/dbraw/zinc/19/61/80/572196180.db2.gz HSNLKODKVFZXSS-OVVQPSECSA-N -1 0 706.387 7.435 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000408537901 572196533 /nfs/dbraw/zinc/19/65/33/572196533.db2.gz HWDNYHYLCPQABP-CPNJWEJPSA-N -1 0 533.394 5.612 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538081 572196797 /nfs/dbraw/zinc/19/67/97/572196797.db2.gz IVCIUFDHXHUUMV-YSMPRRRNSA-N -1 0 629.065 6.277 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1 ZINC000408538051 572196898 /nfs/dbraw/zinc/19/68/98/572196898.db2.gz YSEVAOVLKKPOHP-UNOMPAQXSA-N -1 0 651.638 5.593 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538213 572197583 /nfs/dbraw/zinc/19/75/83/572197583.db2.gz KGHGWMCLZCLPOC-USHMODERSA-N -1 0 641.076 6.350 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538292 572197594 /nfs/dbraw/zinc/19/75/94/572197594.db2.gz KKPOGJRFDUGADI-WGOQTCKBSA-N -1 0 582.584 5.667 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408538307 572197643 /nfs/dbraw/zinc/19/76/43/572197643.db2.gz KSHQKCIUMQJNNK-LDADJPATSA-N -1 0 580.273 5.846 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538678 572199130 /nfs/dbraw/zinc/19/91/30/572199130.db2.gz BOTDSTUXIYENRC-VULFUBBASA-N -1 0 691.962 7.334 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408538794 572199696 /nfs/dbraw/zinc/19/96/96/572199696.db2.gz BSMOCFQMPLTQPX-OGLMXYFKSA-N -1 0 627.093 6.962 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539081 572200400 /nfs/dbraw/zinc/20/04/00/572200400.db2.gz SLXLYABJBQJTPZ-RHANQZHGSA-N -1 0 655.147 7.579 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1 ZINC000408539226 572201480 /nfs/dbraw/zinc/20/14/80/572201480.db2.gz GBRRFDNZUFZVMV-ITYLOYPMSA-N -1 0 631.512 7.525 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539280 572201518 /nfs/dbraw/zinc/20/15/18/572201518.db2.gz VCCUVMUXFFNJGC-UHFFFAOYSA-N -1 0 550.995 5.045 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408539275 572201534 /nfs/dbraw/zinc/20/15/34/572201534.db2.gz VAIBSGFPXGQPDY-LTGZKZEYSA-N -1 0 515.404 5.473 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539372 572201950 /nfs/dbraw/zinc/20/19/50/572201950.db2.gz WCBNXFWYHHMSKG-VQNDASPWSA-N -1 0 684.745 7.497 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1OC ZINC000408539418 572201986 /nfs/dbraw/zinc/20/19/86/572201986.db2.gz HIWMESOASMHAJU-CEUNXORHSA-N -1 0 666.727 6.716 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000408539495 572202658 /nfs/dbraw/zinc/20/26/58/572202658.db2.gz IALVPAQZAQRGGL-LICLKQGHSA-N -1 0 509.817 6.581 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408539613 572202813 /nfs/dbraw/zinc/20/28/13/572202813.db2.gz IQWVJYMFZHWRIX-QNGOZBTKSA-N -1 0 559.059 6.162 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539667 572202953 /nfs/dbraw/zinc/20/29/53/572202953.db2.gz XWWQOVQJYNUWQE-CVKSISIWSA-N -1 0 691.962 7.334 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408539783 572203236 /nfs/dbraw/zinc/20/32/36/572203236.db2.gz YZAAVOKYVZKPHW-TURZUDJPSA-N -1 0 613.066 6.572 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539706 572203325 /nfs/dbraw/zinc/20/33/25/572203325.db2.gz YCQSHLIHHFRTRV-CVKSISIWSA-N -1 0 647.511 7.225 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539752 572203438 /nfs/dbraw/zinc/20/34/38/572203438.db2.gz YOKFGFCRZICQPY-VEILYXNESA-N -1 0 636.657 5.705 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(Br)c3)C2=O)cc1 ZINC000408539754 572203458 /nfs/dbraw/zinc/20/34/58/572203458.db2.gz YPJFNKXHFVMARY-JVWAILMASA-N -1 0 750.440 7.833 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539826 572203871 /nfs/dbraw/zinc/20/38/71/572203871.db2.gz ZGFUJDOBFAKTFC-MIXAMLLLSA-N -1 0 606.675 6.535 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000408540096 572204634 /nfs/dbraw/zinc/20/46/34/572204634.db2.gz MZRSQLDHDIHAGB-RRAHZORUSA-N -1 0 622.674 6.317 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408540697 572206422 /nfs/dbraw/zinc/20/64/22/572206422.db2.gz VEPFXDQOZIOXMX-XDHOZWIPSA-N -1 0 563.876 6.435 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540803 572206855 /nfs/dbraw/zinc/20/68/55/572206855.db2.gz VZMSPWRQVYAFJA-MYYYXRDXSA-N -1 0 643.490 6.291 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408541090 572207492 /nfs/dbraw/zinc/20/74/92/572207492.db2.gz XQRPOROBGISNIK-IMRQLAEWSA-N -1 0 641.120 7.270 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408541056 572207498 /nfs/dbraw/zinc/20/74/98/572207498.db2.gz XOGMVYQOTCBUPX-JVWAILMASA-N -1 0 627.093 6.880 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)cc3)C2=O)cc1OC ZINC000408541142 572207713 /nfs/dbraw/zinc/20/77/13/572207713.db2.gz XZYSVJUBMAWVRU-COEJQBHMSA-N -1 0 636.701 6.707 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408541166 572207730 /nfs/dbraw/zinc/20/77/30/572207730.db2.gz YEAHUMWYTKTWTQ-XHPQRKPJSA-N -1 0 534.568 5.520 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408541297 572208323 /nfs/dbraw/zinc/20/83/23/572208323.db2.gz YXLUWPOUWNLMFJ-QQXSKIMKSA-N -1 0 720.016 8.033 40 10 KKCBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408541270 572208384 /nfs/dbraw/zinc/20/83/84/572208384.db2.gz YSORRSLUHVSGDD-XLNRJJMWSA-N -1 0 524.614 5.508 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541784 572209257 /nfs/dbraw/zinc/20/92/57/572209257.db2.gz FUBLYGCLYDVWBH-XIEYBQDHSA-N -1 0 569.683 5.040 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)C(=O)[N-]C1=S ZINC000408542333 572210064 /nfs/dbraw/zinc/21/00/64/572210064.db2.gz KTZCFGZQJFXTJT-LGUFXXKBSA-N -1 0 583.710 5.294 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550131 572233558 /nfs/dbraw/zinc/23/35/58/572233558.db2.gz BTHIIMDFTOUGOF-IDUWFGFVSA-N -1 0 711.252 5.199 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000408550343 572233849 /nfs/dbraw/zinc/23/38/49/572233849.db2.gz GHFFNSSPWHPXLG-PDGQHHTCSA-N -1 0 502.354 5.669 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551075 572235347 /nfs/dbraw/zinc/23/53/47/572235347.db2.gz ATWWCYUSMPNZRZ-VCHYOVAHSA-N -1 0 668.125 6.202 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550964 572235408 /nfs/dbraw/zinc/23/54/08/572235408.db2.gz IPSMINFXCVAVKS-QGMBQPNBSA-N -1 0 623.276 6.383 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408551135 572235774 /nfs/dbraw/zinc/23/57/74/572235774.db2.gz LHPBTYLCFOCDLL-PDGQHHTCSA-N -1 0 528.974 5.282 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551397 572236152 /nfs/dbraw/zinc/23/61/52/572236152.db2.gz CLKVWQRJEGLFNV-VCHYOVAHSA-N -1 0 562.768 5.470 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551372 572236260 /nfs/dbraw/zinc/23/62/60/572236260.db2.gz KMCXCMXEQJTDLO-UUASQNMZSA-N -1 0 735.145 6.597 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000408551460 572236296 /nfs/dbraw/zinc/23/62/96/572236296.db2.gz CUZUXELOUUJOSE-JAIQZWGSSA-N -1 0 617.283 6.057 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551664 572236366 /nfs/dbraw/zinc/23/63/66/572236366.db2.gz LUQVOQPLLBOYMU-ZDLGFXPLSA-N -1 0 680.282 5.681 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000408551722 572236967 /nfs/dbraw/zinc/23/69/67/572236967.db2.gz FRAZKXQXYYRCJG-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408551783 572236983 /nfs/dbraw/zinc/23/69/83/572236983.db2.gz GCLKNKOQQVVTHG-MFOYZWKCSA-N -1 0 634.226 5.348 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552504 572238624 /nfs/dbraw/zinc/23/86/24/572238624.db2.gz QHSAETYGJFZSDK-MTJSOVHGSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1=O ZINC000408552601 572238702 /nfs/dbraw/zinc/23/87/02/572238702.db2.gz RIFOGVBCJFIUOS-WQRHYEAKSA-N -1 0 558.805 5.639 40 10 KKCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554176 572241717 /nfs/dbraw/zinc/24/17/17/572241717.db2.gz QOMCSURQNHVEFD-SXGWCWSVSA-N -1 0 579.223 5.984 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408554207 572241734 /nfs/dbraw/zinc/24/17/34/572241734.db2.gz QSJVTGJQOJSZDC-ZDLGFXPLSA-N -1 0 647.265 5.226 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408555196 572242564 /nfs/dbraw/zinc/24/25/64/572242564.db2.gz WGZKDNQNARCLIH-ODLFYWEKSA-N -1 0 602.814 5.117 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1OCC ZINC000408600324 572272425 /nfs/dbraw/zinc/27/24/25/572272425.db2.gz BLLHGMYVANJVMS-NBVRZTHBSA-N -1 0 539.928 5.362 40 10 KKCBRM CCn1c(S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631849 572287964 /nfs/dbraw/zinc/28/79/64/572287964.db2.gz GTNJYZNBZOSMED-LFVJCYFKSA-N -1 0 522.074 6.310 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408631825 572288014 /nfs/dbraw/zinc/28/80/14/572288014.db2.gz GQHJRCSGHNQJLS-UUYOSTAYSA-N -1 0 602.454 5.719 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633683 572290480 /nfs/dbraw/zinc/29/04/80/572290480.db2.gz ONYPHYGRZYZEIZ-MSXFZWOLSA-N -1 0 573.502 6.914 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)[O-])o2)c1 ZINC000408634351 572291353 /nfs/dbraw/zinc/29/13/53/572291353.db2.gz UQPOJQMSCWBCGN-UUYOSTAYSA-N -1 0 511.987 6.033 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000102615465 1069705480 /nfs/dbraw/zinc/70/54/80/1069705480.db2.gz WEWAXZYMZJQDDY-STZFKDTASA-N -1 0 536.813 6.172 40 10 KKCBRM CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1Cl ZINC000102681203 1069705580 /nfs/dbraw/zinc/70/55/80/1069705580.db2.gz GCFAZPAWVWDFMS-XQNSMLJCSA-N -1 0 556.109 6.438 40 10 KKCBRM O=S(=O)(Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)c([O-])c(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000103528240 1069709836 /nfs/dbraw/zinc/70/98/36/1069709836.db2.gz SMKOEYYRWPNFHQ-UHFFFAOYSA-N -1 0 598.507 5.165 40 10 KKCBRM O=C1C(=Cc2cc(Br)cc(Br)c2[O-])SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl ZINC000106959467 1069716218 /nfs/dbraw/zinc/71/62/18/1069716218.db2.gz CUGZNNJQBVLRCJ-FUQNDXKWSA-N -1 0 589.640 6.213 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)C2=O)ccc1Br ZINC000408764166 1069738543 /nfs/dbraw/zinc/73/85/43/1069738543.db2.gz LMNIBIZVUSJJDZ-NTEUORMPSA-N -1 0 609.614 6.008 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)c1 ZINC000408775682 1069739365 /nfs/dbraw/zinc/73/93/65/1069739365.db2.gz JXKGMASSCWCXHA-KEBDBYFISA-N -1 0 513.352 5.995 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408771294 1069739429 /nfs/dbraw/zinc/73/94/29/1069739429.db2.gz FMRRHPKWLZINDW-HYARGMPZSA-N -1 0 598.462 5.273 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408773083 1069739913 /nfs/dbraw/zinc/73/99/13/1069739913.db2.gz GANFVTDEKHDNHQ-FYJGNVAPSA-N -1 0 582.394 5.244 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408814798 1069743434 /nfs/dbraw/zinc/74/34/34/1069743434.db2.gz QEUVWDSWHBSFRI-DJKKODMXSA-N -1 0 576.230 6.010 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)c(Br)c1O ZINC000408858639 1069746745 /nfs/dbraw/zinc/74/67/45/1069746745.db2.gz ZWBKOZJFPOFUHN-AWQFTUOYSA-N -1 0 630.333 6.060 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408904492 1069752964 /nfs/dbraw/zinc/75/29/64/1069752964.db2.gz KHLGKSULXAABNI-FSJBWODESA-N -1 0 596.465 5.824 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408901303 1069751770 /nfs/dbraw/zinc/75/17/70/1069751770.db2.gz XACDRGWSVGIJBK-XKZIYDEJSA-N -1 0 559.833 6.681 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408900483 1069752144 /nfs/dbraw/zinc/75/21/44/1069752144.db2.gz YRQIOBANQJFDPU-JAIQZWGSSA-N -1 0 661.290 5.925 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(Br)c3)C2=O)c(C)c1 ZINC000408881674 1069749568 /nfs/dbraw/zinc/74/95/68/1069749568.db2.gz NYZFPAUKMJUQKM-LPYMAVHISA-N -1 0 533.422 5.928 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409133962 1069785174 /nfs/dbraw/zinc/78/51/74/1069785174.db2.gz REMJWHLXXWHCKI-CIAFOILYSA-N -1 0 555.441 5.147 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364563 1069807150 /nfs/dbraw/zinc/80/71/50/1069807150.db2.gz QFLBYNFCCAGBLV-ODLFYWEKSA-N -1 0 586.403 5.524 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408770822 1069870067 /nfs/dbraw/zinc/87/00/67/1069870067.db2.gz AZVGPKPNJCTAFE-WSDLNYQXSA-N -1 0 734.715 6.948 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408771652 1069871663 /nfs/dbraw/zinc/87/16/63/1069871663.db2.gz HXMRGISLBOTOBD-VXLYETTFSA-N -1 0 637.836 7.074 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408768130 1069872463 /nfs/dbraw/zinc/87/24/63/1069872463.db2.gz TYOKDDAINJCDHE-YBFXNURJSA-N -1 0 616.331 5.939 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)c1 ZINC000408776150 1069881015 /nfs/dbraw/zinc/88/10/15/1069881015.db2.gz MPKQINBSGFYNES-LPYMAVHISA-N -1 0 523.358 5.450 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)[N-]C1=S ZINC000408773403 1069886614 /nfs/dbraw/zinc/88/66/14/1069886614.db2.gz KMBSVXSQWYYUAL-RVDMUPIBSA-N -1 0 539.436 5.209 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408775099 1069891672 /nfs/dbraw/zinc/89/16/72/1069891672.db2.gz OBAFGKTYAIRRNS-RIYZIHGNSA-N -1 0 622.765 5.817 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408774599 1069890350 /nfs/dbraw/zinc/89/03/50/1069890350.db2.gz WQUIRPWDRXPCPG-CIAFOILYSA-N -1 0 630.866 6.206 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408774555 1069890536 /nfs/dbraw/zinc/89/05/36/1069890536.db2.gz MIBHBGVVSBRRIO-YBFXNURJSA-N -1 0 615.864 5.764 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408775020 1069891170 /nfs/dbraw/zinc/89/11/70/1069891170.db2.gz FCYFSSXHKXZYTQ-KCSSXMTESA-N -1 0 575.753 7.526 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408775124 1069892087 /nfs/dbraw/zinc/89/20/87/1069892087.db2.gz OGGDSOABFLPMSW-CIAFOILYSA-N -1 0 535.394 5.320 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408775469 1069892550 /nfs/dbraw/zinc/89/25/50/1069892550.db2.gz HKDIODSKQCFYDS-VIZOYTHASA-N -1 0 691.831 5.794 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408775387 1069892766 /nfs/dbraw/zinc/89/27/66/1069892766.db2.gz GYLIMHVNKVXRGP-RGVLZGJSSA-N -1 0 511.361 5.556 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C(=O)[N-]C1=S ZINC000408775270 1069892876 /nfs/dbraw/zinc/89/28/76/1069892876.db2.gz ZYPHXIDJGCPNEW-PCLIKHOPSA-N -1 0 611.636 6.097 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408777269 1069895369 /nfs/dbraw/zinc/89/53/69/1069895369.db2.gz XQHKTPBRUWEQRW-YBFXNURJSA-N -1 0 684.655 5.795 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(C)c4)C3=O)c1C)CCCC2 ZINC000408777969 1069895928 /nfs/dbraw/zinc/89/59/28/1069895928.db2.gz NGEHPDFDXKBRSM-HYARGMPZSA-N -1 0 547.702 5.269 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408778335 1069897099 /nfs/dbraw/zinc/89/70/99/1069897099.db2.gz DULUBEATNVUKBB-RGVLZGJSSA-N -1 0 573.802 5.886 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408778711 1069898477 /nfs/dbraw/zinc/89/84/77/1069898477.db2.gz XDSNHCNCKCXDNV-VCHYOVAHSA-N -1 0 557.386 5.265 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408781266 1069902848 /nfs/dbraw/zinc/90/28/48/1069902848.db2.gz BBOWCIYAOJNVBA-YDZHTSKRSA-N -1 0 610.448 5.861 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408780937 1069905263 /nfs/dbraw/zinc/90/52/63/1069905263.db2.gz NTTGEYPHNADVAH-REZTVBANSA-N -1 0 615.094 7.308 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408786076 1069909271 /nfs/dbraw/zinc/90/92/71/1069909271.db2.gz LHEZKLPXIMCTHC-ZMOGYAJESA-N -1 0 601.959 6.023 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408785107 1069913227 /nfs/dbraw/zinc/91/32/27/1069913227.db2.gz YHKHAGZMPFEOBO-SRZZPIQSSA-N -1 0 614.290 6.082 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408781437 1069916418 /nfs/dbraw/zinc/91/64/18/1069916418.db2.gz AHTPHKFAWMQXQR-JVWAILMASA-N -1 0 663.366 7.173 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408788331 1069925220 /nfs/dbraw/zinc/92/52/20/1069925220.db2.gz DVGLZLSOVWHOAL-YBFXNURJSA-N -1 0 576.749 5.329 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408790952 1069923050 /nfs/dbraw/zinc/92/30/50/1069923050.db2.gz USJSTNLQPOAONB-GIJQJNRQSA-N -1 0 605.858 6.308 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408795524 1069927798 /nfs/dbraw/zinc/92/77/98/1069927798.db2.gz CIHXOXDXPSROKT-XDHOZWIPSA-N -1 0 525.388 5.946 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408791003 1069929439 /nfs/dbraw/zinc/92/94/39/1069929439.db2.gz VBNNQOUTVGJWIS-VCHYOVAHSA-N -1 0 531.779 5.901 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408799326 1069934402 /nfs/dbraw/zinc/93/44/02/1069934402.db2.gz KLIUHOOEAUDHOW-CPNJWEJPSA-N -1 0 511.759 5.348 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408800607 1069936895 /nfs/dbraw/zinc/93/68/95/1069936895.db2.gz QEQSSSPNULUGMI-WGOQTCKBSA-N -1 0 617.883 6.927 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408800735 1069937805 /nfs/dbraw/zinc/93/78/05/1069937805.db2.gz PAEGQLVGBQMEES-PXLXIMEGSA-N -1 0 517.368 6.392 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408800933 1069938003 /nfs/dbraw/zinc/93/80/03/1069938003.db2.gz SCYOTBVBHVFEAS-ZMOGYAJESA-N -1 0 586.000 6.354 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408801083 1069938533 /nfs/dbraw/zinc/93/85/33/1069938533.db2.gz SMVWOADGGQOAII-PCLIKHOPSA-N -1 0 542.588 5.124 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408801265 1069938639 /nfs/dbraw/zinc/93/86/39/1069938639.db2.gz UNDAUCKBTOJBJQ-CAOOACKPSA-N -1 0 580.649 6.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408801298 1069938659 /nfs/dbraw/zinc/93/86/59/1069938659.db2.gz UXTLDOMIJFJDQS-UDWIEESQSA-N -1 0 566.364 5.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408802131 1069939621 /nfs/dbraw/zinc/93/96/21/1069939621.db2.gz DINKPXZGCAYDMD-QGMBQPNBSA-N -1 0 635.254 6.308 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408801726 1069940203 /nfs/dbraw/zinc/94/02/03/1069940203.db2.gz BEYPUKLIKCYECD-CIAFOILYSA-N -1 0 569.397 5.424 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000408801582 1069940332 /nfs/dbraw/zinc/94/03/32/1069940332.db2.gz WDEWUWMTTQSQHB-YBFXNURJSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1cccc(C)c1 ZINC000408800362 1069936193 /nfs/dbraw/zinc/93/61/93/1069936193.db2.gz OMUBUAYTTDNBNL-KGENOOAVSA-N -1 0 504.970 5.601 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408801576 1069940463 /nfs/dbraw/zinc/94/04/63/1069940463.db2.gz VZJCJAXVPVOLDC-BUVRLJJBSA-N -1 0 545.364 5.987 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408806979 1069942463 /nfs/dbraw/zinc/94/24/63/1069942463.db2.gz NUROZSIIQUDIRV-RGVLZGJSSA-N -1 0 616.839 5.815 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408807029 1069942766 /nfs/dbraw/zinc/94/27/66/1069942766.db2.gz JVXLDIPTBKVLQE-JVWAILMASA-N -1 0 708.936 7.168 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408807056 1069943361 /nfs/dbraw/zinc/94/33/61/1069943361.db2.gz OAGZTVIKENFVKK-OQLLNIDSSA-N -1 0 580.649 6.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408802824 1069945725 /nfs/dbraw/zinc/94/57/25/1069945725.db2.gz HWOKTBSXRNHLJV-WSDLNYQXSA-N -1 0 504.970 5.519 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408802171 1069944347 /nfs/dbraw/zinc/94/43/47/1069944347.db2.gz XJWXMQAQVXJLEP-RGVLZGJSSA-N -1 0 600.384 5.301 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408804028 1069948938 /nfs/dbraw/zinc/94/89/38/1069948938.db2.gz CEEWLLKYZOXGGM-CAOOACKPSA-N -1 0 570.643 7.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408804018 1069949367 /nfs/dbraw/zinc/94/93/67/1069949367.db2.gz BXUJATBEEVFXJM-MTDXEUNCSA-N -1 0 583.438 6.274 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408804672 1069950918 /nfs/dbraw/zinc/95/09/18/1069950918.db2.gz GLFYCEIQTRVHPV-PCLIKHOPSA-N -1 0 506.558 5.711 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC(C)C ZINC000408804634 1069950986 /nfs/dbraw/zinc/95/09/86/1069950986.db2.gz ZCTDODFPSTZSMH-AWNIVKPZSA-N -1 0 528.186 5.218 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408803186 1069946878 /nfs/dbraw/zinc/94/68/78/1069946878.db2.gz MFBMMJVWFQBZJM-LZYBPNLTSA-N -1 0 566.224 6.554 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408803495 1069947443 /nfs/dbraw/zinc/94/74/43/1069947443.db2.gz PRRKSYDSASUZTQ-YDZHTSKRSA-N -1 0 547.394 6.401 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408803403 1069947518 /nfs/dbraw/zinc/94/75/18/1069947518.db2.gz OMZNLFLUICRWIH-VXLYETTFSA-N -1 0 559.833 6.599 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408808078 1069958353 /nfs/dbraw/zinc/95/83/53/1069958353.db2.gz DSMCNKMWPVPIIS-LPYMAVHISA-N -1 0 719.326 5.875 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000408808825 1069960783 /nfs/dbraw/zinc/96/07/83/1069960783.db2.gz GIKHIISDLQMRBC-OEAKJJBVSA-N -1 0 501.995 5.183 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408811545 1069966034 /nfs/dbraw/zinc/96/60/34/1069966034.db2.gz RFIXDQIBTWZLGN-VCHYOVAHSA-N -1 0 604.240 5.788 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408810543 1069963966 /nfs/dbraw/zinc/96/39/66/1069963966.db2.gz IZPUIGOQSMFDMJ-BUVRLJJBSA-N -1 0 620.297 6.919 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408810905 1069964494 /nfs/dbraw/zinc/96/44/94/1069964494.db2.gz JTGDJEWZQMSREK-WPWMEQJKSA-N -1 0 613.464 6.282 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408810992 1069965298 /nfs/dbraw/zinc/96/52/98/1069965298.db2.gz NFGFYRQLHIGCRS-UDWIEESQSA-N -1 0 572.209 5.163 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1C ZINC000408809619 1069962311 /nfs/dbraw/zinc/96/23/11/1069962311.db2.gz IABNVAPGFNVONM-NDZAJKAJSA-N -1 0 532.596 6.128 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408811840 1069966794 /nfs/dbraw/zinc/96/67/94/1069966794.db2.gz LZQRNNFIGXXQFE-RUMWWMSVSA-N -1 0 612.682 7.371 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408815504 1069969933 /nfs/dbraw/zinc/96/99/33/1069969933.db2.gz QLYGFKGNWDSREI-LPYMAVHISA-N -1 0 619.899 7.127 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408815377 1069970311 /nfs/dbraw/zinc/97/03/11/1069970311.db2.gz WMLDTVMBKXIWHN-HYARGMPZSA-N -1 0 596.264 7.155 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408816876 1069973036 /nfs/dbraw/zinc/97/30/36/1069973036.db2.gz VKGVBYJVVJBFOM-WGOQTCKBSA-N -1 0 550.567 5.189 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408817475 1069974746 /nfs/dbraw/zinc/97/47/46/1069974746.db2.gz UBPCJPRGWNTIBX-CIAFOILYSA-N -1 0 553.442 6.563 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)C(=O)[N-]C2=S)cc1Cl ZINC000408817467 1069974832 /nfs/dbraw/zinc/97/48/32/1069974832.db2.gz LSFOQYIHAZTEOU-RGVLZGJSSA-N -1 0 531.848 6.366 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408817929 1069975410 /nfs/dbraw/zinc/97/54/10/1069975410.db2.gz WRLDIJSQOLLDLI-OEAKJJBVSA-N -1 0 532.980 5.379 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408818530 1069976751 /nfs/dbraw/zinc/97/67/51/1069976751.db2.gz YIGDXNDBDBSMDC-VCHYOVAHSA-N -1 0 530.781 5.624 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408818450 1069976942 /nfs/dbraw/zinc/97/69/42/1069976942.db2.gz WWSATDTVZJVDOL-FSJBWODESA-N -1 0 610.448 5.779 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3c(C)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408822412 1069982635 /nfs/dbraw/zinc/98/26/35/1069982635.db2.gz BLFCDQIIKVFKOP-HYARGMPZSA-N -1 0 557.002 6.064 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408813842 1069979186 /nfs/dbraw/zinc/97/91/86/1069979186.db2.gz YRIMHZOFCHHCGQ-VXLYETTFSA-N -1 0 562.203 5.707 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000408814175 1069979844 /nfs/dbraw/zinc/97/98/44/1069979844.db2.gz ODSLOQQQJGGDIC-CXUHLZMHSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408814244 1069980378 /nfs/dbraw/zinc/98/03/78/1069980378.db2.gz ONYKSCHJGXPOOP-WSDLNYQXSA-N -1 0 520.969 5.307 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408814955 1069982038 /nfs/dbraw/zinc/98/20/38/1069982038.db2.gz QUTFVLLFPGZELV-HZHRSRAPSA-N -1 0 649.625 7.425 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OC ZINC000408822690 1069984485 /nfs/dbraw/zinc/98/44/85/1069984485.db2.gz BSILDNYZIPVFAW-ODRLJNDOSA-N -1 0 662.186 7.681 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408823005 1069985040 /nfs/dbraw/zinc/98/50/40/1069985040.db2.gz DBKJLDGHADRNJR-FDAWAROLSA-N -1 0 637.519 8.279 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Br)cc5)cc4)C3=O)cc2)c1 ZINC000408823483 1069987528 /nfs/dbraw/zinc/98/75/28/1069987528.db2.gz DOABPXPTAOUIMA-RDRPBHBLSA-N -1 0 597.465 6.582 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408823565 1069988424 /nfs/dbraw/zinc/98/84/24/1069988424.db2.gz GBTGNXPNCPDBSU-JFLMPSFJSA-N -1 0 661.936 7.244 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408819649 1069992486 /nfs/dbraw/zinc/99/24/86/1069992486.db2.gz ZWRZRXVFGICPON-CIAFOILYSA-N -1 0 569.397 5.424 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1C ZINC000408823759 1069989364 /nfs/dbraw/zinc/98/93/64/1069989364.db2.gz GEFQCHXSOJTFRU-STBIYBPSSA-N -1 0 601.486 7.435 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408824066 1069990691 /nfs/dbraw/zinc/99/06/91/1069990691.db2.gz PFGVGGPOZPJVDW-IXVMJDEYSA-N -1 0 663.749 7.949 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408819617 1069992078 /nfs/dbraw/zinc/99/20/78/1069992078.db2.gz YBSMKQMEVXFEHE-GIJQJNRQSA-N -1 0 580.251 6.944 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408820881 1069994667 /nfs/dbraw/zinc/99/46/67/1069994667.db2.gz ADQPDFIBDGJLLB-VULFUBBASA-N -1 0 737.357 6.953 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408820981 1069995227 /nfs/dbraw/zinc/99/52/27/1069995227.db2.gz BCKFIDJSUXEIBP-ITCJCKFQSA-N -1 0 720.782 7.726 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4c(OCc5ccc(Br)cc5)ccc5ccccc54)C3=O)cc2)cc1 ZINC000408824391 1069997723 /nfs/dbraw/zinc/99/77/23/1069997723.db2.gz HKCUIRWLHQQLAA-UZWMFBFFSA-N -1 0 647.525 7.735 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Br)c1 ZINC000408821204 1069995900 /nfs/dbraw/zinc/99/59/00/1069995900.db2.gz DPWKZABSVIJDRH-JVWAILMASA-N -1 0 631.910 7.235 40 10 KKCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408821177 1069995944 /nfs/dbraw/zinc/99/59/44/1069995944.db2.gz DEDSQJPADYIOOP-XQNSMLJCSA-N -1 0 535.394 5.483 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408822025 1069999824 /nfs/dbraw/zinc/99/98/24/1069999824.db2.gz AWWRQZGXURAIBF-AUEPDCJTSA-N -1 0 751.244 8.896 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408821888 1070000047 /nfs/dbraw/zinc/00/00/47/1070000047.db2.gz ADZIISAZNBCAMC-JMIUGGIZSA-N -1 0 651.863 7.382 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408822202 1070001316 /nfs/dbraw/zinc/00/13/16/1070001316.db2.gz BOJDELQMILOHPQ-SKUHVHAISA-N -1 0 837.598 10.278 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408827789 1070007707 /nfs/dbraw/zinc/00/77/07/1070007707.db2.gz MHXDMBHVBXWCML-DOIDFXICSA-N -1 0 738.284 9.088 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408827226 1070006444 /nfs/dbraw/zinc/00/64/44/1070006444.db2.gz MLDASYIKFOKUCS-VULFUBBASA-N -1 0 692.906 6.844 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408827975 1070008402 /nfs/dbraw/zinc/00/84/02/1070008402.db2.gz NBMUMTLHXSIQDJ-OCSSWDANSA-N -1 0 597.067 6.790 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408833091 1070016150 /nfs/dbraw/zinc/01/61/50/1070016150.db2.gz SVQMMJADJWLAMO-CVKSISIWSA-N -1 0 603.458 6.826 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408830139 1070016988 /nfs/dbraw/zinc/01/69/88/1070016988.db2.gz YDSZRKXYMBYHFK-LQKURTRISA-N -1 0 631.512 7.525 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408828722 1070014554 /nfs/dbraw/zinc/01/45/54/1070014554.db2.gz NSZGVBWSMUKHFI-JFLMPSFJSA-N -1 0 628.037 6.390 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1C ZINC000408828700 1070014711 /nfs/dbraw/zinc/01/47/11/1070014711.db2.gz NPCUPVVKZVWYAX-RWPZCVJISA-N -1 0 680.382 8.197 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408831117 1070019689 /nfs/dbraw/zinc/01/96/89/1070019689.db2.gz PRDJMMCMEXYKGG-JVWAILMASA-N -1 0 753.387 7.277 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408831331 1070020585 /nfs/dbraw/zinc/02/05/85/1070020585.db2.gz QOICUICPVBUUTA-RDRPBHBLSA-N -1 0 641.518 6.981 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408831260 1070020626 /nfs/dbraw/zinc/02/06/26/1070020626.db2.gz ZGLQBXGFEJXQRQ-JFLMPSFJSA-N -1 0 706.933 7.234 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000408830791 1070018584 /nfs/dbraw/zinc/01/85/84/1070018584.db2.gz GKADJJLYCAODKM-UOLSPYNLSA-N -1 0 695.819 8.963 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408832160 1070023371 /nfs/dbraw/zinc/02/33/71/1070023371.db2.gz QDGCODLZIDAMPP-YGCODWISSA-N -1 0 738.284 9.170 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408836298 1070026813 /nfs/dbraw/zinc/02/68/13/1070026813.db2.gz PUKDXTCXQAETQE-VULFUBBASA-N -1 0 682.354 7.589 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408832875 1070025270 /nfs/dbraw/zinc/02/52/70/1070025270.db2.gz QTFSQWCGZHUZGX-IXVMJDEYSA-N -1 0 768.708 8.971 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408836230 1070025927 /nfs/dbraw/zinc/02/59/27/1070025927.db2.gz ZNQGXIXKZBAFOA-JFLMPSFJSA-N -1 0 798.384 7.185 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408836699 1070027385 /nfs/dbraw/zinc/02/73/85/1070027385.db2.gz ULEZAKLESFMZAR-XCFWDINBSA-N -1 0 730.264 9.616 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408836613 1070027451 /nfs/dbraw/zinc/02/74/51/1070027451.db2.gz SYKDATPKGFKBHV-LQKURTRISA-N -1 0 587.003 6.312 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc5c6c(c4)[C@H](c4ccccc4)CCN6CC[C@@H]5c4ccccc4)C3=O)cc2Cl)cc1 ZINC000408836858 1070028098 /nfs/dbraw/zinc/02/80/98/1070028098.db2.gz WHLJNVNZCFILNQ-URFBEJBISA-N -1 0 694.231 8.771 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCC ZINC000408836829 1070028300 /nfs/dbraw/zinc/02/83/00/1070028300.db2.gz WAMCIKRYRANGBF-QPEQYQDCSA-N -1 0 517.287 5.476 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000408836945 1070029177 /nfs/dbraw/zinc/02/91/77/1070029177.db2.gz XEALGTCNBAUASW-OGLMXYFKSA-N -1 0 631.910 7.235 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408837138 1070029687 /nfs/dbraw/zinc/02/96/87/1070029687.db2.gz ZEULRVQYRDLCFB-XTGYMQSLSA-N -1 0 680.204 8.463 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408833578 1070030756 /nfs/dbraw/zinc/03/07/56/1070030756.db2.gz TTYYTUFBTBQRTG-CVKSISIWSA-N -1 0 696.779 7.689 40 10 KKCBRM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408834239 1070032862 /nfs/dbraw/zinc/03/28/62/1070032862.db2.gz LFSXXICRDPEUJX-FYJGNVAPSA-N -1 0 541.785 5.357 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1 ZINC000408835270 1070036745 /nfs/dbraw/zinc/03/67/45/1070036745.db2.gz YDOODENFIQVWGX-XOARQMTESA-N -1 0 694.231 8.771 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408835298 1070036938 /nfs/dbraw/zinc/03/69/38/1070036938.db2.gz XDNQOEVIPJAZNA-YDZHTSKRSA-N -1 0 569.441 6.425 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1C ZINC000408836171 1070040473 /nfs/dbraw/zinc/04/04/73/1070040473.db2.gz ZFIYODQSTDLKIX-JAIQZWGSSA-N -1 0 563.359 6.874 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408835606 1070037887 /nfs/dbraw/zinc/03/78/87/1070037887.db2.gz OLXPZFYCFTWDEE-UUASQNMZSA-N -1 0 634.221 7.573 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCC ZINC000408835698 1070038165 /nfs/dbraw/zinc/03/81/65/1070038165.db2.gz YAOXWVDPSDYCRI-FYJGNVAPSA-N -1 0 555.414 6.036 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408835787 1070038411 /nfs/dbraw/zinc/03/84/11/1070038411.db2.gz YKAJACGICMNGDM-JVWAILMASA-N -1 0 607.877 7.471 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408838048 1070047262 /nfs/dbraw/zinc/04/72/62/1070047262.db2.gz QWSCHXMCZQKZSI-LLXISZFLSA-N -1 0 649.794 5.763 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000408842689 1070046286 /nfs/dbraw/zinc/04/62/86/1070046286.db2.gz BXZHGURGBBFIPE-OVCLIPMQSA-N -1 0 753.158 6.752 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 ZINC000408844738 1070050787 /nfs/dbraw/zinc/05/07/87/1070050787.db2.gz IKYVERHHGIKOEM-BUVRLJJBSA-N -1 0 554.559 5.062 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(I)c3)C2=O)cc1C ZINC000408847235 1070055867 /nfs/dbraw/zinc/05/58/67/1070055867.db2.gz QDWPGPHZBGYYFT-UDWIEESQSA-N -1 0 586.813 5.807 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)c1 ZINC000408852920 1070060192 /nfs/dbraw/zinc/06/01/92/1070060192.db2.gz OLDPICPTPMQMOU-LFVJCYFKSA-N -1 0 544.604 5.437 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408849033 1070062135 /nfs/dbraw/zinc/06/21/35/1070062135.db2.gz UBQVBOPLYHXBOH-AFUMVMLFSA-N -1 0 585.454 6.473 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408851643 1070058096 /nfs/dbraw/zinc/05/80/96/1070058096.db2.gz FABYRYNYKHAENW-REZTVBANSA-N -1 0 728.664 5.523 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408851770 1070058348 /nfs/dbraw/zinc/05/83/48/1070058348.db2.gz NUEQQIWVLUJELT-LICLKQGHSA-N -1 0 640.770 7.218 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)c1 ZINC000408851323 1070065917 /nfs/dbraw/zinc/06/59/17/1070065917.db2.gz BKGZEEHVBVOGKG-RGVLZGJSSA-N -1 0 817.212 6.701 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)c1 ZINC000408853360 1070066562 /nfs/dbraw/zinc/06/65/62/1070066562.db2.gz NZLATZVNRGDQCY-KGENOOAVSA-N -1 0 550.995 5.391 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000408853707 1070070636 /nfs/dbraw/zinc/07/06/36/1070070636.db2.gz WWDOAQLRAVALKQ-LICLKQGHSA-N -1 0 527.385 5.132 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1C ZINC000408853493 1070070714 /nfs/dbraw/zinc/07/07/14/1070070714.db2.gz URSZFOFEXQTHGC-KEBDBYFISA-N -1 0 513.352 5.995 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1C ZINC000408857324 1070067730 /nfs/dbraw/zinc/06/77/30/1070067730.db2.gz NQZUEBQDSUNIHX-UFWORHAWSA-N -1 0 653.154 7.381 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000408857350 1070067867 /nfs/dbraw/zinc/06/78/67/1070067867.db2.gz MBDHSVNARIZMDU-GZTJUZNOSA-N -1 0 529.405 5.449 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(I)c(C)c4)c3C)C2=O)c1 ZINC000408853987 1070071856 /nfs/dbraw/zinc/07/18/56/1070071856.db2.gz VCVDGCPDZDUOMZ-HMAPJEAMSA-N -1 0 613.452 5.471 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408854978 1070073096 /nfs/dbraw/zinc/07/30/96/1070073096.db2.gz CERBUZWIKJRCKH-DEDYPNTBSA-N -1 0 599.337 6.899 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408855804 1070074728 /nfs/dbraw/zinc/07/47/28/1070074728.db2.gz FLNYTZAAHIORSR-XNTDXEJSSA-N -1 0 559.343 5.433 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1C ZINC000408860271 1070076938 /nfs/dbraw/zinc/07/69/38/1070076938.db2.gz ZPMJOZPAFMXXDX-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408865565 1070083496 /nfs/dbraw/zinc/08/34/96/1070083496.db2.gz DCHFRCGAJJOLDD-SRZZPIQSSA-N -1 0 553.840 5.985 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1Br ZINC000408866289 1070085623 /nfs/dbraw/zinc/08/56/23/1070085623.db2.gz DRPIGLIFJNUNNK-DEDYPNTBSA-N -1 0 530.205 6.013 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408867542 1070087675 /nfs/dbraw/zinc/08/76/75/1070087675.db2.gz KKKIOQSASQURBM-CIAFOILYSA-N -1 0 598.291 6.176 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3Br)C2=O)c1 ZINC000408867786 1070087981 /nfs/dbraw/zinc/08/79/81/1070087981.db2.gz NRCDOCLSTTXFBV-KGENOOAVSA-N -1 0 523.814 5.977 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408867629 1070088109 /nfs/dbraw/zinc/08/81/09/1070088109.db2.gz JHMUTONAZUNTCF-CIAFOILYSA-N -1 0 537.385 5.471 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408868080 1070088716 /nfs/dbraw/zinc/08/87/16/1070088716.db2.gz MIPARPCEYHVEKE-MTDXEUNCSA-N -1 0 536.559 5.671 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408868047 1070088767 /nfs/dbraw/zinc/08/87/67/1070088767.db2.gz NFQNUGAMWHLLIN-CIAFOILYSA-N -1 0 567.867 6.375 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408868295 1070089498 /nfs/dbraw/zinc/08/94/98/1070089498.db2.gz LSZZMFGXZLXHGG-IWIPYMOSSA-N -1 0 517.025 6.175 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408874954 1070092790 /nfs/dbraw/zinc/09/27/90/1070092790.db2.gz FRNCIJDNPDYGFD-FYJGNVAPSA-N -1 0 584.385 5.395 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408870214 1070093197 /nfs/dbraw/zinc/09/31/97/1070093197.db2.gz VKWMAQOHZMZKRV-LPYMAVHISA-N -1 0 611.876 5.935 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408871683 1070095765 /nfs/dbraw/zinc/09/57/65/1070095765.db2.gz ZYWPVHSUFQZVDC-NDENLUEZSA-N -1 0 571.880 5.912 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408872399 1070097447 /nfs/dbraw/zinc/09/74/47/1070097447.db2.gz MPLPRJHNZULZKV-CIAFOILYSA-N -1 0 584.385 5.313 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408874279 1070100686 /nfs/dbraw/zinc/10/06/86/1070100686.db2.gz AVHPBZCIPDRQQF-OEAKJJBVSA-N -1 0 519.395 5.332 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408874374 1070101637 /nfs/dbraw/zinc/10/16/37/1070101637.db2.gz AQFFLFLBTZEPJO-LPYMAVHISA-N -1 0 675.317 6.108 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Br ZINC000408874509 1070101716 /nfs/dbraw/zinc/10/17/16/1070101716.db2.gz CUGSTIWDHRPWIS-STZFKDTASA-N -1 0 521.436 5.270 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408879364 1070103136 /nfs/dbraw/zinc/10/31/36/1070103136.db2.gz FNGUVIYUFBKSDJ-HMAPJEAMSA-N -1 0 551.412 5.807 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408879347 1070103154 /nfs/dbraw/zinc/10/31/54/1070103154.db2.gz FKPOGNNEBMMKIT-RGVLZGJSSA-N -1 0 618.709 6.521 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408880318 1070106448 /nfs/dbraw/zinc/10/64/48/1070106448.db2.gz JHYBBLWJSVCZQX-GIJQJNRQSA-N -1 0 623.230 5.852 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408880330 1070106492 /nfs/dbraw/zinc/10/64/92/1070106492.db2.gz JIOKIYWGHBPYDX-WOJGMQOQSA-N -1 0 545.806 6.291 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Br)c1 ZINC000408875485 1070107416 /nfs/dbraw/zinc/10/74/16/1070107416.db2.gz JFFOOSVAVHNANU-UNOMPAQXSA-N -1 0 511.828 5.525 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408875527 1070107462 /nfs/dbraw/zinc/10/74/62/1070107462.db2.gz JTJGBULPUPCMHF-NDENLUEZSA-N -1 0 567.411 5.849 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(Cc3cccc(F)c3)c(OC)c2)C1=O ZINC000408876177 1070109682 /nfs/dbraw/zinc/10/96/82/1070109682.db2.gz JRXZQNNMMJUPID-BKUYFWCQSA-N -1 0 584.385 5.259 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3cccc(F)c3)C2=O)c1C ZINC000408878229 1070114393 /nfs/dbraw/zinc/11/43/93/1070114393.db2.gz YNIWWIJJHRFLAP-HYARGMPZSA-N -1 0 507.359 5.462 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1Cc1ccccc1F ZINC000408877045 1070111216 /nfs/dbraw/zinc/11/12/16/1070111216.db2.gz SPTSJXZAZBELDM-CIAFOILYSA-N -1 0 598.412 5.703 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000408877246 1070111838 /nfs/dbraw/zinc/11/18/38/1070111838.db2.gz TWPVPLNARGXSGR-YDZHTSKRSA-N -1 0 537.841 6.285 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408877550 1070112816 /nfs/dbraw/zinc/11/28/16/1070112816.db2.gz VSFFRVCJFJOMNZ-XKZIYDEJSA-N -1 0 582.463 5.339 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Br)ccc4ccccc43)C2=O)cc1Cl ZINC000408877978 1070113491 /nfs/dbraw/zinc/11/34/91/1070113491.db2.gz ZIKTZLBRUYMTJL-LFVJCYFKSA-N -1 0 559.847 6.821 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408878566 1070115153 /nfs/dbraw/zinc/11/51/53/1070115153.db2.gz AOGUGLYOTJKCDH-VCHYOVAHSA-N -1 0 620.802 5.646 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408878611 1070115194 /nfs/dbraw/zinc/11/51/94/1070115194.db2.gz AYPMMZSJXBBTMQ-KQWNVCNZSA-N -1 0 543.442 6.013 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408885900 1070121749 /nfs/dbraw/zinc/12/17/49/1070121749.db2.gz GOEAFWLTYFMEHM-KOEQRZSOSA-N -1 0 540.597 5.199 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408881163 1070123385 /nfs/dbraw/zinc/12/33/85/1070123385.db2.gz IHLNXUBNANTMIF-KEBDBYFISA-N -1 0 540.359 5.558 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Cl)ccc4ccccc43)C2=O)cc1Cl ZINC000408882597 1070126848 /nfs/dbraw/zinc/12/68/48/1070126848.db2.gz RNTSSLSUFWCLIX-LFVJCYFKSA-N -1 0 515.396 6.712 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1C ZINC000408891052 1070133861 /nfs/dbraw/zinc/13/38/61/1070133861.db2.gz KMCLUHPTQFXKDF-PCLIKHOPSA-N -1 0 555.428 6.465 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408887300 1070138156 /nfs/dbraw/zinc/13/81/56/1070138156.db2.gz PJBDBSHJZVEMJN-WOJGMQOQSA-N -1 0 586.236 5.466 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408891578 1070135364 /nfs/dbraw/zinc/13/53/64/1070135364.db2.gz SRLBTPHSROQBHR-MOSHPQCFSA-N -1 0 523.358 5.450 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408895330 1070146028 /nfs/dbraw/zinc/14/60/28/1070146028.db2.gz GVCPQBLOOITNKO-GRSHGNNSSA-N -1 0 634.708 6.427 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4)ccc4ccccc43)C2=O)cc1 ZINC000408894282 1070142925 /nfs/dbraw/zinc/14/29/25/1070142925.db2.gz BYSGURMUZXMANV-DIBXZPPDSA-N -1 0 506.558 5.874 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408894816 1070144516 /nfs/dbraw/zinc/14/45/16/1070144516.db2.gz GEWNYWFLOKOHCR-HMAPJEAMSA-N -1 0 549.421 5.710 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408895423 1070146828 /nfs/dbraw/zinc/14/68/28/1070146828.db2.gz HOMCFQIGACPWPN-STZFKDTASA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)cc1 ZINC000408896685 1070151162 /nfs/dbraw/zinc/15/11/62/1070151162.db2.gz HJCFSBDRFMSXEH-UNOMPAQXSA-N -1 0 634.302 5.263 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1C ZINC000408896314 1070149253 /nfs/dbraw/zinc/14/92/53/1070149253.db2.gz KHZWIAAOYWUINW-XKZIYDEJSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892604 1070153697 /nfs/dbraw/zinc/15/36/97/1070153697.db2.gz CEYARGIDJBZWFR-RGVLZGJSSA-N -1 0 589.453 5.443 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893012 1070154317 /nfs/dbraw/zinc/15/43/17/1070154317.db2.gz DXSQZDQLIJEZLO-HYARGMPZSA-N -1 0 613.486 5.153 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Br)c2)C1=O ZINC000408893063 1070155322 /nfs/dbraw/zinc/15/53/22/1070155322.db2.gz DZTYAOBHRJYKKS-UYRXBGFRSA-N -1 0 584.264 6.019 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)c(C)c1 ZINC000408900247 1070161719 /nfs/dbraw/zinc/16/17/19/1070161719.db2.gz ULBVYHGBNAOFMG-FYJGNVAPSA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408900102 1070161751 /nfs/dbraw/zinc/16/17/51/1070161751.db2.gz XABIPNBNMKXMPA-JAIQZWGSSA-N -1 0 604.284 6.708 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408899584 1070158453 /nfs/dbraw/zinc/15/84/53/1070158453.db2.gz UXQAIRDLAPNVIQ-GRSHGNNSSA-N -1 0 590.257 6.318 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408899586 1070158492 /nfs/dbraw/zinc/15/84/92/1070158492.db2.gz PILNJYODFYFCQT-NDENLUEZSA-N -1 0 555.812 5.665 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Cl)cc1 ZINC000408900268 1070162587 /nfs/dbraw/zinc/16/25/87/1070162587.db2.gz XSYVQRBPZMDYIU-NDENLUEZSA-N -1 0 539.813 5.965 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408900460 1070163312 /nfs/dbraw/zinc/16/33/12/1070163312.db2.gz YNPNZAHIAHFZPD-MTJSOVHGSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408900490 1070163372 /nfs/dbraw/zinc/16/33/72/1070163372.db2.gz SZUBYZATHRTZFJ-ZDLGFXPLSA-N -1 0 618.253 5.913 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408901381 1070167724 /nfs/dbraw/zinc/16/77/24/1070167724.db2.gz XOXJIEWVAIOVSN-ODLFYWEKSA-N -1 0 693.186 6.927 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408901751 1070169228 /nfs/dbraw/zinc/16/92/28/1070169228.db2.gz ZSQNCLRZWWQLAP-UCQKPKSFSA-N -1 0 613.892 6.535 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408901681 1070169370 /nfs/dbraw/zinc/16/93/70/1070169370.db2.gz ZOJOQGRLKKPJTH-XKZIYDEJSA-N -1 0 644.316 6.254 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)C1=O ZINC000408898633 1070175393 /nfs/dbraw/zinc/17/53/93/1070175393.db2.gz QNJSDSIWOFPZAZ-NDENLUEZSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408898844 1070175988 /nfs/dbraw/zinc/17/59/88/1070175988.db2.gz MVQGUWMSKGIICE-OYKKKHCWSA-N -1 0 569.441 6.426 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408898810 1070176035 /nfs/dbraw/zinc/17/60/35/1070176035.db2.gz MTCZSGXPXAEGRN-LPYMAVHISA-N -1 0 592.446 5.149 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccccc2)c1 ZINC000408898208 1070173965 /nfs/dbraw/zinc/17/39/65/1070173965.db2.gz PDPBINSESLNRID-BKUYFWCQSA-N -1 0 521.367 5.012 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408899193 1070177516 /nfs/dbraw/zinc/17/75/16/1070177516.db2.gz ZTMFTMGFRFJTDH-KEBDBYFISA-N -1 0 665.311 6.859 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408915531 1070216708 /nfs/dbraw/zinc/21/67/08/1070216708.db2.gz XDZRWHABSRSIJE-DJKKODMXSA-N -1 0 604.226 5.605 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408933583 1070266440 /nfs/dbraw/zinc/26/64/40/1070266440.db2.gz AXQSEPSZVHFMNV-AFUMVMLFSA-N -1 0 686.773 8.234 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408933808 1070266791 /nfs/dbraw/zinc/26/67/91/1070266791.db2.gz BLWRYVZWXYBVSW-BUVRLJJBSA-N -1 0 591.422 6.957 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408937803 1070292804 /nfs/dbraw/zinc/29/28/04/1070292804.db2.gz OYJJOAOMBOUZNF-DJKKODMXSA-N -1 0 682.254 6.150 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408942135 1070302211 /nfs/dbraw/zinc/30/22/11/1070302211.db2.gz XQIYXRJGXGINDN-UXHLAJHPSA-N -1 0 611.094 7.180 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408949811 1070306848 /nfs/dbraw/zinc/30/68/48/1070306848.db2.gz IZECLICMXKAMHK-XODNFHPESA-N -1 0 733.559 6.921 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408949574 1070305940 /nfs/dbraw/zinc/30/59/40/1070305940.db2.gz IKHFWXNXHTXXHN-VTNSRFBWSA-N -1 0 651.590 8.860 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)cc1 ZINC000408950365 1070308211 /nfs/dbraw/zinc/30/82/11/1070308211.db2.gz JLLUFVLIFNHAFW-OKCVXOCRSA-N -1 0 577.681 6.015 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408954758 1070318342 /nfs/dbraw/zinc/31/83/42/1070318342.db2.gz SLHISWRYQMGWFN-VXLYETTFSA-N -1 0 600.219 5.186 40 10 KKCBRM CC(C)(C)c1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(C(C)(C)C)c1O ZINC000408953322 1070315445 /nfs/dbraw/zinc/31/54/45/1070315445.db2.gz PTEMSWRKMGCWPP-VULFUBBASA-N -1 0 554.731 7.121 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408953315 1070315816 /nfs/dbraw/zinc/31/58/16/1070315816.db2.gz PRUIBVCXUXXKRE-FRKPEAEDSA-N -1 0 637.213 5.572 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408954609 1070317855 /nfs/dbraw/zinc/31/78/55/1070317855.db2.gz RXIVPAMBLVGJNH-DHRITJCHSA-N -1 0 603.538 7.328 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408951741 1070320310 /nfs/dbraw/zinc/32/03/10/1070320310.db2.gz MNOLRZNVXGSEBJ-KIBLKLHPSA-N -1 0 759.322 9.232 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408956407 1070323382 /nfs/dbraw/zinc/32/33/82/1070323382.db2.gz WNLJLGAHFRIROT-WKIKZPBSSA-N -1 0 676.007 7.824 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408981844 1070339707 /nfs/dbraw/zinc/33/97/07/1070339707.db2.gz CXOUTDKLTIZVJH-JAIQZWGSSA-N -1 0 573.860 6.853 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2I)cc1 ZINC000408981879 1070339783 /nfs/dbraw/zinc/33/97/83/1070339783.db2.gz DGIRDRFEQIDHHP-JAIQZWGSSA-N -1 0 586.813 5.807 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(I)c3)C2=O)cc1Cl ZINC000408984926 1070344840 /nfs/dbraw/zinc/34/48/40/1070344840.db2.gz UILGEHQOQIVZAS-ODLFYWEKSA-N -1 0 572.786 5.498 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1 ZINC000408985344 1070345627 /nfs/dbraw/zinc/34/56/27/1070345627.db2.gz KLLMNYJTMRLVDF-JAIQZWGSSA-N -1 0 710.160 6.624 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408985708 1070346454 /nfs/dbraw/zinc/34/64/54/1070346454.db2.gz XXSTZGPBMRMGID-XKZIYDEJSA-N -1 0 504.970 5.601 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408985937 1070347259 /nfs/dbraw/zinc/34/72/59/1070347259.db2.gz YVICHXRWLPGICS-JMIUGGIZSA-N -1 0 614.836 5.963 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1Cl ZINC000408985930 1070347288 /nfs/dbraw/zinc/34/72/88/1070347288.db2.gz YUIVSIZLEWJFAP-QRVIBDJDSA-N -1 0 622.846 6.652 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408986571 1070348485 /nfs/dbraw/zinc/34/84/85/1070348485.db2.gz NCAZTKYEPNQUNX-LSCVHKIXSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408990618 1070356790 /nfs/dbraw/zinc/35/67/90/1070356790.db2.gz LDODOHFWCZLVTO-OEAKJJBVSA-N -1 0 670.128 7.236 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408991120 1070357537 /nfs/dbraw/zinc/35/75/37/1070357537.db2.gz MVKSTYJMADEZEC-LICLKQGHSA-N -1 0 561.557 5.239 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408991310 1070357796 /nfs/dbraw/zinc/35/77/96/1070357796.db2.gz NKCYVPUKTPVDMM-LZYBPNLTSA-N -1 0 705.639 7.591 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408991587 1070358200 /nfs/dbraw/zinc/35/82/00/1070358200.db2.gz OKAXHYQYJXMYDV-ZRXGRHLGSA-N -1 0 681.752 6.319 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1Cl ZINC000408989932 1070355135 /nfs/dbraw/zinc/35/51/35/1070355135.db2.gz VQMDFOKABIVERS-IUXPMGMMSA-N -1 0 594.676 6.963 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1Cl ZINC000408989285 1070362514 /nfs/dbraw/zinc/36/25/14/1070362514.db2.gz UBVFWLAWVNEYID-ODLFYWEKSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C1=O ZINC000408993437 1070368858 /nfs/dbraw/zinc/36/88/58/1070368858.db2.gz CWOCMVZTXGTMEE-FYJGNVAPSA-N -1 0 617.237 5.608 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)[N-]C1=S ZINC000409002270 1070378589 /nfs/dbraw/zinc/37/85/89/1070378589.db2.gz SRWDPALMBDTXKL-PXLXIMEGSA-N -1 0 568.436 5.264 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)cc1 ZINC000409012816 1070390436 /nfs/dbraw/zinc/39/04/36/1070390436.db2.gz LCDMTEPASYDGAH-LFIBNONCSA-N -1 0 517.788 5.202 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[N-]C2=S)c1 ZINC000409020883 1070397706 /nfs/dbraw/zinc/39/77/06/1070397706.db2.gz VBONLDJKWPDJHU-WQRHYEAKSA-N -1 0 526.368 5.065 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409041518 1070445316 /nfs/dbraw/zinc/44/53/16/1070445316.db2.gz ALMAGFHSYBOLBP-YBFXNURJSA-N -1 0 545.806 6.291 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000409049498 1070462804 /nfs/dbraw/zinc/46/28/04/1070462804.db2.gz XEOUBULOACNUMW-RGVLZGJSSA-N -1 0 604.240 5.788 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409058746 1070471389 /nfs/dbraw/zinc/47/13/89/1070471389.db2.gz SUYGVEHUSUYVMY-WOJGMQOQSA-N -1 0 604.682 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409055504 1070476315 /nfs/dbraw/zinc/47/63/15/1070476315.db2.gz IZWKFSZAIGYUIO-CAOOACKPSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409075784 1070489216 /nfs/dbraw/zinc/48/92/16/1070489216.db2.gz UETAWLBWNQKUEJ-CXUHLZMHSA-N -1 0 630.687 5.843 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409077516 1070493100 /nfs/dbraw/zinc/49/31/00/1070493100.db2.gz FSHQYHNTVBTYPF-YBFXNURJSA-N -1 0 664.387 6.632 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409077666 1070493865 /nfs/dbraw/zinc/49/38/65/1070493865.db2.gz FSIRKBDJAMXGGE-RQZCQDPDSA-N -1 0 624.753 6.797 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409080354 1070501856 /nfs/dbraw/zinc/50/18/56/1070501856.db2.gz NFOVIYHMPHDORU-XYGWBWBKSA-N -1 0 538.987 6.460 40 10 KKCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072936 1070499193 /nfs/dbraw/zinc/49/91/93/1070499193.db2.gz UIEFVXDLKCLFSO-CIAFOILYSA-N -1 0 570.237 6.295 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409080837 1070503032 /nfs/dbraw/zinc/50/30/32/1070503032.db2.gz NYHGZYFTSMPGMP-MHWRWJLKSA-N -1 0 576.281 5.835 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084916 1070510586 /nfs/dbraw/zinc/51/05/86/1070510586.db2.gz XZTDAJCKHXNDHT-RIYZIHGNSA-N -1 0 596.301 6.388 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085152 1070511286 /nfs/dbraw/zinc/51/12/86/1070511286.db2.gz RJQVDIOLGQUTFS-CXUHLZMHSA-N -1 0 655.177 6.597 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409093480 1070517959 /nfs/dbraw/zinc/51/79/59/1070517959.db2.gz ZTPNNHJBUUHFTG-VIZOYTHASA-N -1 0 584.265 6.518 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409102206 1070534777 /nfs/dbraw/zinc/53/47/77/1070534777.db2.gz VGVLFGCSXLZKDH-LICLKQGHSA-N -1 0 502.398 5.680 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)c1 ZINC000409114064 1070540998 /nfs/dbraw/zinc/54/09/98/1070540998.db2.gz IKJZZEALIAELAP-KEBDBYFISA-N -1 0 523.504 5.399 40 10 KKCBRM Cc1ccc(NC(=O)c2c([N-]S(=O)(=O)c3cccc4cccc(Cl)c43)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000409120891 1070546901 /nfs/dbraw/zinc/54/69/01/1070546901.db2.gz UKKWNMTZRKPJBB-FQEVSTJZSA-N -1 0 567.176 8.067 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409124557 1070551942 /nfs/dbraw/zinc/55/19/42/1070551942.db2.gz KXZQQZJDZYEAQB-CIAFOILYSA-N -1 0 643.918 6.150 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409139781 1070563418 /nfs/dbraw/zinc/56/34/18/1070563418.db2.gz OPXDSRKUTKMGBW-PXLXIMEGSA-N -1 0 663.930 5.330 40 10 KKCBRM Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409147287 1070565697 /nfs/dbraw/zinc/56/56/97/1070565697.db2.gz WCXWFYSYSAVWJG-UNOMPAQXSA-N -1 0 501.054 6.247 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183990 1070603167 /nfs/dbraw/zinc/60/31/67/1070603167.db2.gz DQULKHOKAXQJLI-GGVRFBKHSA-N -1 0 721.471 7.310 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OCC ZINC000409193309 1070611413 /nfs/dbraw/zinc/61/14/13/1070611413.db2.gz JBAXHRZKDJWLNO-HYARGMPZSA-N -1 0 567.013 5.908 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409201262 1070626398 /nfs/dbraw/zinc/62/63/98/1070626398.db2.gz KXJPUGBNKQTHNQ-MUFRIFMGSA-N -1 0 562.670 5.623 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1OCC ZINC000409190036 1070621688 /nfs/dbraw/zinc/62/16/88/1070621688.db2.gz VBHUCVWLVHIBDM-PXLXIMEGSA-N -1 0 722.408 5.829 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409226284 1070643802 /nfs/dbraw/zinc/64/38/02/1070643802.db2.gz UMUAECXUKGGXHP-MTDXEUNCSA-N -1 0 596.039 5.911 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000409236474 1070652638 /nfs/dbraw/zinc/65/26/38/1070652638.db2.gz GVGSOPMVTOZKOE-NLRVBDNBSA-N -1 0 515.569 5.908 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409231682 1070657759 /nfs/dbraw/zinc/65/77/59/1070657759.db2.gz FJVRKLSWGIPTHA-LDADJPATSA-N -1 0 528.859 5.650 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000409244960 1070662841 /nfs/dbraw/zinc/66/28/41/1070662841.db2.gz LFUZFMRATPETPO-GZTJUZNOSA-N -1 0 508.930 5.934 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409254723 1070672736 /nfs/dbraw/zinc/67/27/36/1070672736.db2.gz IMJNDTWYFAMJCQ-YBEGLDIGSA-N -1 0 633.282 5.757 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000409254893 1070673366 /nfs/dbraw/zinc/67/33/66/1070673366.db2.gz YGDNBJWRBPQOFT-KEBDBYFISA-N -1 0 617.283 6.057 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1 ZINC000409255103 1070673380 /nfs/dbraw/zinc/67/33/80/1070673380.db2.gz KJJWVPILDRIRNS-JAIQZWGSSA-N -1 0 685.325 5.299 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000409257065 1070676853 /nfs/dbraw/zinc/67/68/53/1070676853.db2.gz NRRFOMJWVLZKEO-BUVRLJJBSA-N -1 0 547.995 5.039 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409257281 1070676900 /nfs/dbraw/zinc/67/69/00/1070676900.db2.gz RXUCRDHUQMWYAX-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409253053 1070685417 /nfs/dbraw/zinc/68/54/17/1070685417.db2.gz ANAFQJCXSOZQPL-LPYMAVHISA-N -1 0 562.022 5.348 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251917 1070682584 /nfs/dbraw/zinc/68/25/84/1070682584.db2.gz AJYOLYSENXHZQP-UFFVCSGVSA-N -1 0 673.891 5.562 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409252705 1070684500 /nfs/dbraw/zinc/68/45/00/1070684500.db2.gz UUWBQVHWSFOVJH-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409267772 1070692601 /nfs/dbraw/zinc/69/26/01/1070692601.db2.gz WHMXIDZLPPXUOM-BUVRLJJBSA-N -1 0 606.075 5.828 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409268083 1070693297 /nfs/dbraw/zinc/69/32/97/1070693297.db2.gz YCKSDRAKWYTJGR-NVMNQCDNSA-N -1 0 588.831 5.648 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409268918 1070694248 /nfs/dbraw/zinc/69/42/48/1070694248.db2.gz ZQUYBEVJOQQDFM-NTFVMDSBSA-N -1 0 731.543 6.180 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409259931 1070694927 /nfs/dbraw/zinc/69/49/27/1070694927.db2.gz HYPUZTSTDSROTK-BKUYFWCQSA-N -1 0 592.446 5.149 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1C ZINC000409263784 1070700755 /nfs/dbraw/zinc/70/07/55/1070700755.db2.gz MPYBNFLDOHMXBX-MOSHPQCFSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1C ZINC000409262269 1070698515 /nfs/dbraw/zinc/69/85/15/1070698515.db2.gz GKMNFYDEKRBJGK-WSDLNYQXSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263404 1070699982 /nfs/dbraw/zinc/69/99/82/1070699982.db2.gz MPBZBNBLSWBFSZ-SSDVNMTOSA-N -1 0 640.918 6.110 40 10 KKCBRM Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1C ZINC000409269771 1070704174 /nfs/dbraw/zinc/70/41/74/1070704174.db2.gz DOJSHARIGKBZHA-SRZZPIQSSA-N -1 0 510.955 5.590 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000408880078 1070790221 /nfs/dbraw/zinc/79/02/21/1070790221.db2.gz GYWDVKTWRCDDQP-VXLYETTFSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Br ZINC000408879952 1070790631 /nfs/dbraw/zinc/79/06/31/1070790631.db2.gz HZVSRSSNKRBZPX-ZHZULCJRSA-N -1 0 537.435 5.258 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408879729 1070792810 /nfs/dbraw/zinc/79/28/10/1070792810.db2.gz FCRGNKRFOCQGLN-UDWIEESQSA-N -1 0 509.345 5.037 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3Br)C2=O)cc1 ZINC000408879825 1070791821 /nfs/dbraw/zinc/79/18/21/1070791821.db2.gz HATMJVGAEUKLEQ-PXLXIMEGSA-N -1 0 612.274 5.646 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408880846 1070785917 /nfs/dbraw/zinc/78/59/17/1070785917.db2.gz KZYODCIBKDMFJT-MHWRWJLKSA-N -1 0 576.230 6.010 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408880900 1070786294 /nfs/dbraw/zinc/78/62/94/1070786294.db2.gz JCHQYQPULWSBFA-VUTHCHCSSA-N -1 0 536.559 5.671 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000408879328 1070794279 /nfs/dbraw/zinc/79/42/79/1070794279.db2.gz DIFZCDJGZVNDSH-UQQQWYQISA-N -1 0 521.529 5.556 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Br)ccc4ccccc43)C2=O)c1 ZINC000408879058 1070796251 /nfs/dbraw/zinc/79/62/51/1070796251.db2.gz AMFKBTMVMAVEBA-KOEQRZSOSA-N -1 0 525.402 6.168 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408879051 1070796413 /nfs/dbraw/zinc/79/64/13/1070796413.db2.gz AKMBDMBAZWHHEF-IWIPYMOSSA-N -1 0 587.495 6.411 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000408878756 1070797600 /nfs/dbraw/zinc/79/76/00/1070797600.db2.gz DAHISPYTMMOUEU-XDHOZWIPSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408878311 1070799381 /nfs/dbraw/zinc/79/93/81/1070799381.db2.gz ACVWMPHJLDYZEJ-KEBDBYFISA-N -1 0 620.802 5.728 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408878666 1070799460 /nfs/dbraw/zinc/79/94/60/1070799460.db2.gz CQFPBNXGNLNNAK-FYJGNVAPSA-N -1 0 509.389 6.164 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408878348 1070800156 /nfs/dbraw/zinc/80/01/56/1070800156.db2.gz AABBGANUTKCXEC-CVKSISIWSA-N -1 0 615.455 6.433 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408877590 1070806008 /nfs/dbraw/zinc/80/60/08/1070806008.db2.gz VYCXTAOSZDNJIE-JVWAILMASA-N -1 0 645.937 7.337 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408877696 1070806851 /nfs/dbraw/zinc/80/68/51/1070806851.db2.gz TVSDOTHSQWONCK-ZVHZXABRSA-N -1 0 608.476 6.181 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408889076 1070810076 /nfs/dbraw/zinc/81/00/76/1070810076.db2.gz DJLFFHAVXYWYFL-STZFKDTASA-N -1 0 613.486 5.153 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408888813 1070810561 /nfs/dbraw/zinc/81/05/61/1070810561.db2.gz BDDQLBZEKYTKIN-PXLXIMEGSA-N -1 0 565.420 5.492 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408888074 1070817439 /nfs/dbraw/zinc/81/74/39/1070817439.db2.gz SHNXJABIIBVVOA-KOEQRZSOSA-N -1 0 554.986 5.915 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408888847 1070811324 /nfs/dbraw/zinc/81/13/24/1070811324.db2.gz BUASRWVJXSUYCL-OEAKJJBVSA-N -1 0 519.395 5.620 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408888760 1070812187 /nfs/dbraw/zinc/81/21/87/1070812187.db2.gz AGDGHZQBLKUSQK-MOSHPQCFSA-N -1 0 628.317 6.418 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408888698 1070812342 /nfs/dbraw/zinc/81/23/42/1070812342.db2.gz ZGKRDIGEBIJPFW-UDWIEESQSA-N -1 0 541.387 5.646 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408888623 1070813942 /nfs/dbraw/zinc/81/39/42/1070813942.db2.gz XZRKRDGLXXUWMZ-MFKUBSTISA-N -1 0 739.360 6.887 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408888637 1070814035 /nfs/dbraw/zinc/81/40/35/1070814035.db2.gz YEVQXEMLQCHXEE-YBFXNURJSA-N -1 0 543.378 6.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408887756 1070818363 /nfs/dbraw/zinc/81/83/63/1070818363.db2.gz TUGQJUPIGWBRLD-CIAFOILYSA-N -1 0 614.411 5.691 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1 ZINC000408887945 1070816523 /nfs/dbraw/zinc/81/65/23/1070816523.db2.gz VFHIQKFDLMFKEE-LDADJPATSA-N -1 0 589.851 5.153 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000408890895 1070822273 /nfs/dbraw/zinc/82/22/73/1070822273.db2.gz ICCUGMCPWQOLFS-SRZZPIQSSA-N -1 0 553.840 6.273 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccccc2F)c1 ZINC000408897183 1070823323 /nfs/dbraw/zinc/82/33/23/1070823323.db2.gz HYNSUFYAWHDQHW-NDENLUEZSA-N -1 0 539.357 5.151 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408897215 1070823995 /nfs/dbraw/zinc/82/39/95/1070823995.db2.gz IIXXJLIRAIYELP-JAIQZWGSSA-N -1 0 634.310 6.799 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408896998 1070825046 /nfs/dbraw/zinc/82/50/46/1070825046.db2.gz PPNOKALXWGVVSS-UDWIEESQSA-N -1 0 597.393 5.019 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)o1 ZINC000409333447 1070838415 /nfs/dbraw/zinc/83/84/15/1070838415.db2.gz TXDSEZRDTQSFTI-JAIQZWGSSA-N -1 0 541.379 5.391 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000408896200 1070836137 /nfs/dbraw/zinc/83/61/37/1070836137.db2.gz QDKHCCUHPOVLEI-CIAFOILYSA-N -1 0 539.813 5.965 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408895883 1070839168 /nfs/dbraw/zinc/83/91/68/1070839168.db2.gz FZTMOSZFIWTDDO-HAHDFKILSA-N -1 0 504.970 5.683 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408896055 1070837867 /nfs/dbraw/zinc/83/78/67/1070837867.db2.gz JFIXAZBGPLXADJ-NDENLUEZSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc(F)c3)ccc3ccccc32)C1=O ZINC000408896058 1070837915 /nfs/dbraw/zinc/83/79/15/1070837915.db2.gz GMGBNVLBZUPVKG-IWIPYMOSSA-N -1 0 559.391 6.295 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408895938 1070839614 /nfs/dbraw/zinc/83/96/14/1070839614.db2.gz MGRWPPHBDFNFKI-DEDYPNTBSA-N -1 0 600.263 5.856 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408895758 1070841937 /nfs/dbraw/zinc/84/19/37/1070841937.db2.gz OCVMMWPVDGMAHO-YBFXNURJSA-N -1 0 529.351 5.777 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408895545 1070842775 /nfs/dbraw/zinc/84/27/75/1070842775.db2.gz LBXQCOJTSUSQKJ-RGVLZGJSSA-N -1 0 539.415 6.173 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408895669 1070843902 /nfs/dbraw/zinc/84/39/02/1070843902.db2.gz NTFNMOBNWFVBKM-UDWIEESQSA-N -1 0 661.290 6.006 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000408895288 1070847063 /nfs/dbraw/zinc/84/70/63/1070847063.db2.gz DQYPCQFZHSVTHZ-UQQQWYQISA-N -1 0 515.522 5.019 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C1=O ZINC000408895435 1070844777 /nfs/dbraw/zinc/84/47/77/1070844777.db2.gz KMGNTFMZELCNGQ-LDADJPATSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408895279 1070846407 /nfs/dbraw/zinc/84/64/07/1070846407.db2.gz DNNTVJUFJLZHTA-UCQKPKSFSA-N -1 0 569.441 6.426 40 10 KKCBRM Cc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409345572 1070848681 /nfs/dbraw/zinc/84/86/81/1070848681.db2.gz IEECSPIRNZASKU-KEBDBYFISA-N -1 0 547.883 6.614 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408894800 1070849591 /nfs/dbraw/zinc/84/95/91/1070849591.db2.gz IXBUCDOGMNMHCS-VXLYETTFSA-N -1 0 539.903 5.031 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408894804 1070849898 /nfs/dbraw/zinc/84/98/98/1070849898.db2.gz IXNRQLDZUBJNPI-UDWIEESQSA-N -1 0 613.848 5.533 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(F)cc2)C1=O ZINC000408894918 1070851562 /nfs/dbraw/zinc/85/15/62/1070851562.db2.gz GSIRRTVKWGCTOK-MOSHPQCFSA-N -1 0 509.331 5.142 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408894360 1070854825 /nfs/dbraw/zinc/85/48/25/1070854825.db2.gz CEZALYWPQOVCAF-HMAPJEAMSA-N -1 0 613.892 6.535 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408894298 1070856861 /nfs/dbraw/zinc/85/68/61/1070856861.db2.gz CABHQVZKMJVIOX-XKZIYDEJSA-N -1 0 555.414 6.036 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408894104 1070857770 /nfs/dbraw/zinc/85/77/70/1070857770.db2.gz IZGJFVQDFNFJME-LPYMAVHISA-N -1 0 504.970 5.519 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408893393 1070864084 /nfs/dbraw/zinc/86/40/84/1070864084.db2.gz AAZRGCDVPZSPFS-XYGWBWBKSA-N -1 0 534.996 5.773 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408893503 1070862526 /nfs/dbraw/zinc/86/25/26/1070862526.db2.gz AUWHRRZPTABZBA-MOSHPQCFSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408893526 1070862691 /nfs/dbraw/zinc/86/26/91/1070862691.db2.gz AXLQMFJYRPFFKW-NHDPSOOVSA-N -1 0 628.317 6.391 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O[C@@H](C)CC ZINC000408893389 1070864283 /nfs/dbraw/zinc/86/42/83/1070864283.db2.gz AAGVDYBCDFPIHL-VZWMTCDZSA-N -1 0 521.795 5.345 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408893492 1070863015 /nfs/dbraw/zinc/86/30/15/1070863015.db2.gz AUJFPJZDWGVIBR-YQYKVWLJSA-N -1 0 556.618 7.027 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408893419 1070865411 /nfs/dbraw/zinc/86/54/11/1070865411.db2.gz AIEZEINPFYXJHG-JLPGSUDCSA-N -1 0 563.448 6.182 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408893165 1070867516 /nfs/dbraw/zinc/86/75/16/1070867516.db2.gz CVNZTAPHRDYCCE-YBFXNURJSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408892988 1070869507 /nfs/dbraw/zinc/86/95/07/1070869507.db2.gz DSVBMSORDFLERF-CVKSISIWSA-N -1 0 678.454 6.263 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C1=O ZINC000408892785 1070869678 /nfs/dbraw/zinc/86/96/78/1070869678.db2.gz CLRNERGAMUTMST-GZTJUZNOSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408892295 1070873320 /nfs/dbraw/zinc/87/33/20/1070873320.db2.gz YLNCNRKEMMURTG-CIAFOILYSA-N -1 0 644.893 6.514 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408891142 1070880866 /nfs/dbraw/zinc/88/08/66/1070880866.db2.gz MFDCYLRXXHBRQL-YBFXNURJSA-N -1 0 553.384 5.459 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408891948 1070874663 /nfs/dbraw/zinc/87/46/63/1070874663.db2.gz WFCNWCLINMQPOQ-VCHYOVAHSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891752 1070875189 /nfs/dbraw/zinc/87/51/89/1070875189.db2.gz USYPTVGKIVMVDV-SRZZPIQSSA-N -1 0 614.290 6.082 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408891753 1070875631 /nfs/dbraw/zinc/87/56/31/1070875631.db2.gz UTGKNIWGEPZAKU-YBFXNURJSA-N -1 0 614.290 6.082 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Br ZINC000408891807 1070876378 /nfs/dbraw/zinc/87/63/78/1070876378.db2.gz VRIWSFZGSLQBGQ-GZTJUZNOSA-N -1 0 546.204 6.001 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409345815 1070877136 /nfs/dbraw/zinc/87/71/36/1070877136.db2.gz MFOTYQQFHAJYKK-UUASQNMZSA-N -1 0 519.225 5.625 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408891303 1070877504 /nfs/dbraw/zinc/87/75/04/1070877504.db2.gz OHSJLXVKRWOUKV-MFKUBSTISA-N -1 0 631.454 6.421 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408891335 1070878329 /nfs/dbraw/zinc/87/83/29/1070878329.db2.gz OTYZSXBGSHUUDE-MHWRWJLKSA-N -1 0 620.681 6.119 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891362 1070878686 /nfs/dbraw/zinc/87/86/86/1070878686.db2.gz PJFIUIATIVFOIX-GIJQJNRQSA-N -1 0 681.708 6.270 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891350 1070878779 /nfs/dbraw/zinc/87/87/79/1070878779.db2.gz PBAOKIHMPRICRI-UDWIEESQSA-N -1 0 705.299 5.484 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891178 1070879657 /nfs/dbraw/zinc/87/96/57/1070879657.db2.gz MQOONBDGRJXNDG-SSDVNMTOSA-N -1 0 597.893 6.672 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408890655 1070882677 /nfs/dbraw/zinc/88/26/77/1070882677.db2.gz XELGJFYKMBTZRY-KOEQRZSOSA-N -1 0 510.977 6.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408890320 1070883452 /nfs/dbraw/zinc/88/34/52/1070883452.db2.gz RHSFXLCDMNRUJY-YBFXNURJSA-N -1 0 634.829 6.036 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408890410 1070884083 /nfs/dbraw/zinc/88/40/83/1070884083.db2.gz SPBSCACGWFWHPA-NDENLUEZSA-N -1 0 522.960 5.740 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408889574 1070887961 /nfs/dbraw/zinc/88/79/61/1070887961.db2.gz FKSNYUQMKLUOGQ-ODLFYWEKSA-N -1 0 508.933 5.350 40 10 KKCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000408903516 1070904062 /nfs/dbraw/zinc/90/40/62/1070904062.db2.gz ZAHQMBUKTPOMFB-RGVLZGJSSA-N -1 0 525.786 6.186 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)cc1 ZINC000409379105 1070905374 /nfs/dbraw/zinc/90/53/74/1070905374.db2.gz UFMPEDKFYVURHG-YUMHPJSZSA-N -1 0 642.064 5.620 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408901552 1070918987 /nfs/dbraw/zinc/91/89/87/1070918987.db2.gz YRPMXASJZMJCPX-OYKKKHCWSA-N -1 0 678.377 7.626 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)c(Br)c1 ZINC000409399615 1070913980 /nfs/dbraw/zinc/91/39/80/1070913980.db2.gz KUFHWWGKXKTXFX-ZDLGFXPLSA-N -1 0 607.096 6.015 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408901638 1070919521 /nfs/dbraw/zinc/91/95/21/1070919521.db2.gz ZJOJHJTYLPHHBR-HAHDFKILSA-N -1 0 583.468 6.816 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(C)c1 ZINC000409400137 1070914735 /nfs/dbraw/zinc/91/47/35/1070914735.db2.gz PFGAZIIZEFQFTO-MOSHPQCFSA-N -1 0 586.280 5.959 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000409400553 1070914973 /nfs/dbraw/zinc/91/49/73/1070914973.db2.gz TWGWFELUEDPNIK-PDGQHHTCSA-N -1 0 558.226 5.261 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408901332 1070923714 /nfs/dbraw/zinc/92/37/14/1070923714.db2.gz XFNHNUNWBNAUQS-NDENLUEZSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408901101 1070924285 /nfs/dbraw/zinc/92/42/85/1070924285.db2.gz VOFBYLYZADVSKF-JAIQZWGSSA-N -1 0 604.284 6.708 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408901159 1070925277 /nfs/dbraw/zinc/92/52/77/1070925277.db2.gz WLMSWFBGIGHDTM-UQQQWYQISA-N -1 0 504.970 5.764 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408901150 1070925302 /nfs/dbraw/zinc/92/53/02/1070925302.db2.gz WIQKLVFHFLRRLX-JLPGSUDCSA-N -1 0 534.996 5.773 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1cccc(F)c1 ZINC000408900859 1070928144 /nfs/dbraw/zinc/92/81/44/1070928144.db2.gz YDVRNLXOCHLOPJ-DEDYPNTBSA-N -1 0 508.933 5.432 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408901063 1070927086 /nfs/dbraw/zinc/92/70/86/1070927086.db2.gz ZTUDKUHZUNQWCW-GIJQJNRQSA-N -1 0 563.796 6.430 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408900732 1070929373 /nfs/dbraw/zinc/92/93/73/1070929373.db2.gz UGOXKPFYCDODSM-QRVIBDJDSA-N -1 0 619.899 7.127 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408900757 1070930258 /nfs/dbraw/zinc/93/02/58/1070930258.db2.gz UOVXJFZTKAALMC-MTJSOVHGSA-N -1 0 648.337 7.189 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900780 1070930752 /nfs/dbraw/zinc/93/07/52/1070930752.db2.gz UXGWLKKFAISXLT-IWIPYMOSSA-N -1 0 549.023 6.081 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408900504 1070930814 /nfs/dbraw/zinc/93/08/14/1070930814.db2.gz TYADJJPOOMSYRR-RRAHZORUSA-N -1 0 534.612 6.573 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408900390 1070932808 /nfs/dbraw/zinc/93/28/08/1070932808.db2.gz SISIWPIUKQLBAF-KQWNVCNZSA-N -1 0 534.996 5.773 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408900363 1070932953 /nfs/dbraw/zinc/93/29/53/1070932953.db2.gz SDSUAOZKBHHSGN-HAHDFKILSA-N -1 0 580.391 5.392 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)ccc1Br ZINC000408900357 1070933258 /nfs/dbraw/zinc/93/32/58/1070933258.db2.gz SCNWAAWFWFLXOV-ODLFYWEKSA-N -1 0 604.682 6.419 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408900193 1070938774 /nfs/dbraw/zinc/93/87/74/1070938774.db2.gz XKPLFWLDXOBVDZ-MTJSOVHGSA-N -1 0 583.866 6.363 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000408900211 1070935512 /nfs/dbraw/zinc/93/55/12/1070935512.db2.gz XMKLDPHCJRUWEG-MOSHPQCFSA-N -1 0 570.237 5.765 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900343 1070936655 /nfs/dbraw/zinc/93/66/55/1070936655.db2.gz SBDOTILYRZDGMO-IWIPYMOSSA-N -1 0 583.468 6.816 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408900020 1070940146 /nfs/dbraw/zinc/94/01/46/1070940146.db2.gz RANGQFWUKGCUAE-QQXSKIMKSA-N -1 0 585.056 6.844 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Cl)cc1C ZINC000408900098 1070937141 /nfs/dbraw/zinc/93/71/41/1070937141.db2.gz RMAUZKYCSMCCIW-MTJSOVHGSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O[C@@H](C)CC ZINC000408899399 1070946572 /nfs/dbraw/zinc/94/65/72/1070946572.db2.gz OYHKVKLLLDSTCR-ZVCOJXFSSA-N -1 0 515.404 5.308 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408899394 1070945800 /nfs/dbraw/zinc/94/58/00/1070945800.db2.gz OXUBAORTLUIWDF-ULJHMMPZSA-N -1 0 613.486 5.371 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Br ZINC000408899816 1070941740 /nfs/dbraw/zinc/94/17/40/1070941740.db2.gz QWFHRDQTXPIUTK-XDHOZWIPSA-N -1 0 590.655 6.110 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408899684 1070942986 /nfs/dbraw/zinc/94/29/86/1070942986.db2.gz PVUYEYFINMUBJR-XYGWBWBKSA-N -1 0 585.454 6.555 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408899292 1070947796 /nfs/dbraw/zinc/94/77/96/1070947796.db2.gz OAQXUMMZJPIEFT-USHMODERSA-N -1 0 564.638 6.581 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408899294 1070948057 /nfs/dbraw/zinc/94/80/57/1070948057.db2.gz OBLSTMKFVYTVII-ULJHMMPZSA-N -1 0 593.474 6.272 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408898924 1070950563 /nfs/dbraw/zinc/95/05/63/1070950563.db2.gz NMMRISULVSCRNF-WOJGMQOQSA-N -1 0 573.802 5.886 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408898923 1070950680 /nfs/dbraw/zinc/95/06/80/1070950680.db2.gz NEWIOJBKIYTINC-UCQKPKSFSA-N -1 0 552.986 5.912 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408898527 1070956142 /nfs/dbraw/zinc/95/61/42/1070956142.db2.gz MCGYOGXRHJNRKP-DEDYPNTBSA-N -1 0 583.822 5.525 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C ZINC000408898314 1070956859 /nfs/dbraw/zinc/95/68/59/1070956859.db2.gz KWTHZHKLQMFRLE-HMAPJEAMSA-N -1 0 519.395 5.620 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)ccc1Br ZINC000408898339 1070956937 /nfs/dbraw/zinc/95/69/37/1070956937.db2.gz LHOONMZYSBQUOW-IWIPYMOSSA-N -1 0 559.391 6.295 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408898236 1070959627 /nfs/dbraw/zinc/95/96/27/1070959627.db2.gz VYBIQWRXYVEBMD-FYJGNVAPSA-N -1 0 583.410 5.631 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408897628 1070965052 /nfs/dbraw/zinc/96/50/52/1070965052.db2.gz ZBWKGMSWPPRFIO-LICLKQGHSA-N -1 0 545.806 6.209 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408897989 1070963613 /nfs/dbraw/zinc/96/36/13/1070963613.db2.gz KEEPHHBCGYFPCF-DIBXZPPDSA-N -1 0 555.030 6.918 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1Cl ZINC000408897752 1070963907 /nfs/dbraw/zinc/96/39/07/1070963907.db2.gz SXTJIGIEVJDLCG-HZHRSRAPSA-N -1 0 531.395 6.700 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408897659 1070965815 /nfs/dbraw/zinc/96/58/15/1070965815.db2.gz NPPNMSAPEJKLMV-BKUYFWCQSA-N -1 0 570.237 5.765 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408897294 1070967728 /nfs/dbraw/zinc/96/77/28/1070967728.db2.gz MNBXSXLUGLUGMD-GRSHGNNSSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1O[C@H](C)CC ZINC000408897381 1070969113 /nfs/dbraw/zinc/96/91/13/1070969113.db2.gz JCIWZTQYCPRKAN-YDDPGSGASA-N -1 0 562.404 5.150 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408897392 1070969128 /nfs/dbraw/zinc/96/91/28/1070969128.db2.gz JEGMBLCOYHXOGP-BKUYFWCQSA-N -1 0 569.839 6.055 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408917197 1070993021 /nfs/dbraw/zinc/99/30/21/1070993021.db2.gz OPPWTMSXRQRVPR-JAIQZWGSSA-N -1 0 634.321 6.160 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408915157 1071009490 /nfs/dbraw/zinc/00/94/90/1071009490.db2.gz VLZYXKQDIMXAGT-DJKKODMXSA-N -1 0 515.324 5.387 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408915477 1071008300 /nfs/dbraw/zinc/00/83/00/1071008300.db2.gz VXTASGMERSNCPM-QGMBQPNBSA-N -1 0 574.746 5.395 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408913926 1071014485 /nfs/dbraw/zinc/01/44/85/1071014485.db2.gz WBYFJMUPJLDLKQ-QGMBQPNBSA-N -1 0 563.796 6.430 40 10 KKCBRM CC(C)c1ccc(CCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)N(CC(=O)[O-])Cc2ccc(N)cc2)cc1 ZINC000585268714 1071014186 /nfs/dbraw/zinc/01/41/86/1071014186.db2.gz MNVDZIUUSYLNKR-YTTGMZPUSA-N -1 0 612.174 6.689 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408913952 1071015024 /nfs/dbraw/zinc/01/50/24/1071015024.db2.gz WGBLJUVLFHAVSH-SRZZPIQSSA-N -1 0 553.384 5.541 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000408937169 1071202420 /nfs/dbraw/zinc/20/24/20/1071202420.db2.gz MRSYAFXWMZQQOI-WGOQTCKBSA-N -1 0 591.422 6.957 40 10 KKCBRM Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408936882 1071205925 /nfs/dbraw/zinc/20/59/25/1071205925.db2.gz GHJYICISROCQNW-YUMHPJSZSA-N -1 0 584.097 6.811 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408936565 1071209060 /nfs/dbraw/zinc/20/90/60/1071209060.db2.gz GQRHRPXPLFLWBO-UDWIEESQSA-N -1 0 556.756 5.256 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1 ZINC000408936455 1071210857 /nfs/dbraw/zinc/21/08/57/1071210857.db2.gz JWGLJSCBDSICGB-MTJSOVHGSA-N -1 0 525.344 5.025 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408935308 1071224822 /nfs/dbraw/zinc/22/48/22/1071224822.db2.gz CRBZWPQRTWDXLQ-DJKKODMXSA-N -1 0 635.254 6.308 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408935493 1071223534 /nfs/dbraw/zinc/22/35/34/1071223534.db2.gz HKPRKQGUMVWEFW-AFUMVMLFSA-N -1 0 637.903 7.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408935094 1071225229 /nfs/dbraw/zinc/22/52/29/1071225229.db2.gz GPYQBPXTMAPXMG-PKAZHMFMSA-N -1 0 556.977 6.304 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1O ZINC000408934705 1071231066 /nfs/dbraw/zinc/23/10/66/1071231066.db2.gz FWHRNFQGDLRWLC-DJKKODMXSA-N -1 0 606.256 6.106 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1O ZINC000408934257 1071235537 /nfs/dbraw/zinc/23/55/37/1071235537.db2.gz DKMLZUBDFKKNMB-YBFXNURJSA-N -1 0 527.360 5.343 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408933560 1071240681 /nfs/dbraw/zinc/24/06/81/1071240681.db2.gz ATZXZUSKYGOCNI-JFLMPSFJSA-N -1 0 722.963 7.394 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408946559 1071269184 /nfs/dbraw/zinc/26/91/84/1071269184.db2.gz YXDCWBVBWPKZBW-OEAKJJBVSA-N -1 0 572.371 5.756 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408946010 1071274156 /nfs/dbraw/zinc/27/41/56/1071274156.db2.gz XWMKMFOEMUZXDD-VXLYETTFSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408945868 1071275565 /nfs/dbraw/zinc/27/55/65/1071275565.db2.gz XQIWYYRXYDRFOV-HZHRSRAPSA-N -1 0 511.465 5.133 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408942409 1071299237 /nfs/dbraw/zinc/29/92/37/1071299237.db2.gz QQMLLFJVBXPDRX-SRZZPIQSSA-N -1 0 627.391 5.070 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408942390 1071301653 /nfs/dbraw/zinc/30/16/53/1071301653.db2.gz QNEJMHXQQFAIHR-VCHYOVAHSA-N -1 0 542.331 5.156 40 10 KKCBRM Cc1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)c2)cc1 ZINC000408942238 1071302353 /nfs/dbraw/zinc/30/23/53/1071302353.db2.gz YIODURZTAZWCHV-MIXAMLLLSA-N -1 0 553.014 6.473 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408941429 1071308237 /nfs/dbraw/zinc/30/82/37/1071308237.db2.gz WNZGQVZOHFIDRR-BRJLIKDPSA-N -1 0 700.344 7.728 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000408939958 1071319842 /nfs/dbraw/zinc/31/98/42/1071319842.db2.gz SWJIGTURNIQPER-STBIYBPSSA-N -1 0 601.486 7.435 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408939517 1071323071 /nfs/dbraw/zinc/32/30/71/1071323071.db2.gz SUDKGEHJGBFBOW-ZDLGFXPLSA-N -1 0 687.874 6.263 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2Br)c1 ZINC000408937763 1071336893 /nfs/dbraw/zinc/33/68/93/1071336893.db2.gz OPNKHYMQVKNDKL-JVWAILMASA-N -1 0 645.937 7.544 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000408952536 1071345013 /nfs/dbraw/zinc/34/50/13/1071345013.db2.gz OFHKKBUPVSYHGT-CVKSISIWSA-N -1 0 535.556 5.068 40 10 KKCBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)cc1 ZINC000408951025 1071352316 /nfs/dbraw/zinc/35/23/16/1071352316.db2.gz KRVNZQHQBUQGSH-VTNSRFBWSA-N -1 0 569.705 7.132 40 10 KKCBRM CCOC(=O)COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408951121 1071352833 /nfs/dbraw/zinc/35/28/33/1071352833.db2.gz LLBJPEGPZGFQIS-AUEPDCJTSA-N -1 0 780.397 5.972 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408950987 1071353620 /nfs/dbraw/zinc/35/36/20/1071353620.db2.gz KPPLARYWVWTWLI-WCMJOSRZSA-N -1 0 633.148 7.068 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408951673 1071350164 /nfs/dbraw/zinc/35/01/64/1071350164.db2.gz MHSYVMDOYIWOGY-WKULSOCRSA-N -1 0 612.568 7.299 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408951558 1071350707 /nfs/dbraw/zinc/35/07/07/1071350707.db2.gz LVDUMJMSXVTOKN-WYMPLXKRSA-N -1 0 519.041 6.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408949803 1071359441 /nfs/dbraw/zinc/35/94/41/1071359441.db2.gz IWTPVMSRSSNEIT-KEBDBYFISA-N -1 0 534.952 5.021 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408949733 1071359522 /nfs/dbraw/zinc/35/95/22/1071359522.db2.gz ISJZFWFZFDTACM-CCVNUDIWSA-N -1 0 673.579 7.700 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408948975 1071362101 /nfs/dbraw/zinc/36/21/01/1071362101.db2.gz HQVIMWAUWGTSGH-OKCVXOCRSA-N -1 0 573.668 6.963 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408948904 1071363527 /nfs/dbraw/zinc/36/35/27/1071363527.db2.gz HIVBZWHPFBCBMJ-UBKPWBPPSA-N -1 0 620.239 5.739 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)c1 ZINC000408948802 1071364029 /nfs/dbraw/zinc/36/40/29/1071364029.db2.gz GYDMBZNFDHGTDN-XODNFHPESA-N -1 0 798.459 7.917 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408948776 1071364212 /nfs/dbraw/zinc/36/42/12/1071364212.db2.gz GPWQINNDKUSPOO-CCVNUDIWSA-N -1 0 607.663 6.317 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408947892 1071368806 /nfs/dbraw/zinc/36/88/06/1071368806.db2.gz DLIHRCBNQWUAQP-CCVNUDIWSA-N -1 0 629.526 7.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408947331 1071372337 /nfs/dbraw/zinc/37/23/37/1071372337.db2.gz CAAZFJNATYIVID-UVHMKAGCSA-N -1 0 724.479 8.868 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000408956895 1071374467 /nfs/dbraw/zinc/37/44/67/1071374467.db2.gz ZFCRCDIEQUIDDI-IBBHUPRXSA-N -1 0 651.590 8.860 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408956497 1071378235 /nfs/dbraw/zinc/37/82/35/1071378235.db2.gz XOYGFAAGVYEDHV-FZSIALSZSA-N -1 0 624.658 6.383 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408956402 1071379297 /nfs/dbraw/zinc/37/92/97/1071379297.db2.gz WMSIEIJBWFPDFU-XODNFHPESA-N -1 0 680.426 8.469 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408695753 1071383091 /nfs/dbraw/zinc/38/30/91/1071383091.db2.gz YGPYCBIFNFYNRK-RQZCQDPDSA-N -1 0 629.278 5.980 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408695555 1071383472 /nfs/dbraw/zinc/38/34/72/1071383472.db2.gz WDYHMLBDYNXURS-YBFXNURJSA-N -1 0 594.833 5.327 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408695580 1071383657 /nfs/dbraw/zinc/38/36/57/1071383657.db2.gz WLIWHUMJQOMVIP-UDWIEESQSA-N -1 0 527.415 5.140 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000408955504 1071384339 /nfs/dbraw/zinc/38/43/39/1071384339.db2.gz UPCHVERWLRPPJU-VULFUBBASA-N -1 0 551.599 6.297 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408695480 1071384535 /nfs/dbraw/zinc/38/45/35/1071384535.db2.gz VOQLEOZSMBYIKN-XDHOZWIPSA-N -1 0 503.780 5.086 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408955291 1071384721 /nfs/dbraw/zinc/38/47/21/1071384721.db2.gz UCCWENUXGQWCJS-ALQBTCKLSA-N -1 0 582.700 7.553 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408955272 1071384759 /nfs/dbraw/zinc/38/47/59/1071384759.db2.gz UBHYOQOFTQSACH-XODNFHPESA-N -1 0 642.108 6.970 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408955358 1071385502 /nfs/dbraw/zinc/38/55/02/1071385502.db2.gz UHDXTJBAPSQRIY-XODNFHPESA-N -1 0 631.556 7.715 40 10 KKCBRM COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408955175 1071386922 /nfs/dbraw/zinc/38/69/22/1071386922.db2.gz TVDDSEOCVDHGEP-LSHDLFTRSA-N -1 0 565.464 5.601 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000408953848 1071393923 /nfs/dbraw/zinc/39/39/23/1071393923.db2.gz QBGXNVRZKHUUID-MUFRIFMGSA-N -1 0 611.536 7.162 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408692721 1071394068 /nfs/dbraw/zinc/39/40/68/1071394068.db2.gz SWXUMYAOLAUOPP-HYARGMPZSA-N -1 0 519.395 5.586 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000408954551 1071390025 /nfs/dbraw/zinc/39/00/25/1071390025.db2.gz RIRJKFNGIFWQQL-JFLMPSFJSA-N -1 0 536.588 5.520 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408954574 1071390580 /nfs/dbraw/zinc/39/05/80/1071390580.db2.gz ROYGKHBZQOBIKL-MUFRIFMGSA-N -1 0 611.138 7.452 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000408692506 1071394822 /nfs/dbraw/zinc/39/48/22/1071394822.db2.gz OAGAOZNGLBYGNS-WOJGMQOQSA-N -1 0 595.231 5.037 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2-c2ccccc2)cc1 ZINC000408692362 1071395628 /nfs/dbraw/zinc/39/56/28/1071395628.db2.gz KUNAGJUXNMUZTN-ANYBSYGZSA-N -1 0 573.649 6.392 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408953281 1071397186 /nfs/dbraw/zinc/39/71/86/1071397186.db2.gz PNFJINLQXKZBTA-OKCVXOCRSA-N -1 0 621.690 6.707 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000408953233 1071397216 /nfs/dbraw/zinc/39/72/16/1071397216.db2.gz PHSDPHFTACZVAY-JFLMPSFJSA-N -1 0 536.588 5.520 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408953287 1071397809 /nfs/dbraw/zinc/39/78/09/1071397809.db2.gz PNWMYKNDRXXIEY-IPPBACCNSA-N -1 0 673.579 7.700 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000408953303 1071397905 /nfs/dbraw/zinc/39/79/05/1071397905.db2.gz PPBLFAHRPMCSNU-REZTVBANSA-N -1 0 637.213 5.572 40 10 KKCBRM COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C ZINC000408953126 1071398397 /nfs/dbraw/zinc/39/83/97/1071398397.db2.gz OUYRHRSOMWPHDT-MUFRIFMGSA-N -1 0 577.681 6.015 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408965041 1071414754 /nfs/dbraw/zinc/41/47/54/1071414754.db2.gz FZCGEIOSVTVEDA-LICLKQGHSA-N -1 0 502.398 5.680 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4CC)c3C)C2=O)c(OCC)c1 ZINC000408964227 1071419437 /nfs/dbraw/zinc/41/94/37/1071419437.db2.gz CEOQJIHYXPVNAY-XQNSMLJCSA-N -1 0 501.583 5.120 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCCOc1cccc(C)c1 ZINC000408973315 1071448583 /nfs/dbraw/zinc/44/85/83/1071448583.db2.gz YHGGSGMNGBJBKS-XYGWBWBKSA-N -1 0 535.643 5.956 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)c1 ZINC000408969757 1071457989 /nfs/dbraw/zinc/45/79/89/1071457989.db2.gz UALSFOPPRFOCDY-ZDLGFXPLSA-N -1 0 531.365 5.721 40 10 KKCBRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714530 1071475252 /nfs/dbraw/zinc/47/52/52/1071475252.db2.gz AXQCANFZRSLKEU-UHFFFAOYSA-N -1 0 543.110 5.966 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408985919 1071494607 /nfs/dbraw/zinc/49/46/07/1071494607.db2.gz YTCPKWUCTDFJLC-JMIUGGIZSA-N -1 0 569.839 5.973 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408985955 1071495528 /nfs/dbraw/zinc/49/55/28/1071495528.db2.gz YWLYBTMXSRHIQE-XKZIYDEJSA-N -1 0 596.421 5.416 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1 ZINC000408985491 1071498444 /nfs/dbraw/zinc/49/84/44/1071498444.db2.gz KTOSRTAQEGVVOK-BKUYFWCQSA-N -1 0 631.264 5.862 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408985085 1071503239 /nfs/dbraw/zinc/50/32/39/1071503239.db2.gz VBEVSPAZDRLPCP-YVLHZVERSA-N -1 0 502.785 6.029 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408985246 1071502435 /nfs/dbraw/zinc/50/24/35/1071502435.db2.gz VZGKEBGTDGFXNL-JMIUGGIZSA-N -1 0 742.735 6.502 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408984812 1071505877 /nfs/dbraw/zinc/50/58/77/1071505877.db2.gz STGBILQHECVMDR-OCKHKDLRSA-N -1 0 573.802 5.804 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)cc1 ZINC000408984869 1071506451 /nfs/dbraw/zinc/50/64/51/1071506451.db2.gz TYTDXTYRXQHWGG-HMAPJEAMSA-N -1 0 506.400 5.394 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=CC3=C(C)[C@@H](c4ccc(OCc5ccccc5)cc4)C(C)=C3)C2=O)cc1 ZINC000408984601 1071506868 /nfs/dbraw/zinc/50/68/68/1071506868.db2.gz SEBGRYHNKWCQHF-LVBXYETJSA-N -1 0 518.613 6.397 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408984580 1071508865 /nfs/dbraw/zinc/50/88/65/1071508865.db2.gz RZBDOFVQANITTK-XKZIYDEJSA-N -1 0 596.421 5.416 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408984409 1071510281 /nfs/dbraw/zinc/51/02/81/1071510281.db2.gz QPTJUMNHZPPKNE-NVMNQCDNSA-N -1 0 502.785 6.029 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1Cl ZINC000408984221 1071511474 /nfs/dbraw/zinc/51/14/74/1071511474.db2.gz QAXLUJOENYKSCS-LSCVHKIXSA-N -1 0 777.578 6.866 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000408984026 1071512136 /nfs/dbraw/zinc/51/21/36/1071512136.db2.gz PIHAPJMQMSFSCG-WJDWOHSUSA-N -1 0 544.745 5.500 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408983951 1071513878 /nfs/dbraw/zinc/51/38/78/1071513878.db2.gz OUWJCNMUYYLNOW-IDUWFGFVSA-N -1 0 624.702 6.972 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 ZINC000408983927 1071513997 /nfs/dbraw/zinc/51/39/97/1071513997.db2.gz OMPFPMKLTCMUQD-MTJSOVHGSA-N -1 0 580.391 5.174 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408983600 1071515165 /nfs/dbraw/zinc/51/51/65/1071515165.db2.gz GTNFIPBIMFHBMX-MTJSOVHGSA-N -1 0 508.933 5.432 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408726407 1071516901 /nfs/dbraw/zinc/51/69/01/1071516901.db2.gz RLCCWGXFVDPEGR-JCMHNJIXSA-N -1 0 520.969 5.383 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2I)cc1 ZINC000408983284 1071518323 /nfs/dbraw/zinc/51/83/23/1071518323.db2.gz LEEFSLQEKAEGCM-OCKHKDLRSA-N -1 0 712.709 6.411 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000408983336 1071518355 /nfs/dbraw/zinc/51/83/55/1071518355.db2.gz LLUUDRCPWKIZCP-NHDPSOOVSA-N -1 0 640.430 5.226 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408983149 1071519660 /nfs/dbraw/zinc/51/96/60/1071519660.db2.gz KZFDOUOWISVDCL-GRSHGNNSSA-N -1 0 587.829 6.194 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C2=O)cc1 ZINC000408983151 1071519907 /nfs/dbraw/zinc/51/99/07/1071519907.db2.gz KZMBPLDMXXMQGU-QQXSKIMKSA-N -1 0 551.559 5.418 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408982568 1071524488 /nfs/dbraw/zinc/52/44/88/1071524488.db2.gz HYCBTVGNJHVAFT-OCKHKDLRSA-N -1 0 637.257 6.160 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408982505 1071526059 /nfs/dbraw/zinc/52/60/59/1071526059.db2.gz HLEIAYCCDHJILZ-MTJSOVHGSA-N -1 0 508.933 5.296 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408982629 1071525398 /nfs/dbraw/zinc/52/53/98/1071525398.db2.gz INZVYSQFYPDCMP-OCKHKDLRSA-N -1 0 600.809 5.573 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408982616 1071525432 /nfs/dbraw/zinc/52/54/32/1071525432.db2.gz IKYHVRXCJXEUQB-OCKHKDLRSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408983004 1071520906 /nfs/dbraw/zinc/52/09/06/1071520906.db2.gz JNWWJBFGQFTNJA-NHDPSOOVSA-N -1 0 665.311 6.805 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccccc4)cc3Br)C2=O)cc1 ZINC000408982313 1071527442 /nfs/dbraw/zinc/52/74/42/1071527442.db2.gz GMGHOTCNRYYLET-BKUYFWCQSA-N -1 0 535.394 5.266 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723670 1071527560 /nfs/dbraw/zinc/52/75/60/1071527560.db2.gz ZLPFOQJZQVKHKC-LZYBPNLTSA-N -1 0 680.820 5.393 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723629 1071527758 /nfs/dbraw/zinc/52/77/58/1071527758.db2.gz YJGFLBRCBZHSCK-FRKPEAEDSA-N -1 0 680.820 5.393 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408982380 1071528092 /nfs/dbraw/zinc/52/80/92/1071528092.db2.gz DKTNBRDTSNCEHW-MTJSOVHGSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1Cl ZINC000408981871 1071530631 /nfs/dbraw/zinc/53/06/31/1071530631.db2.gz DFDFNFDGIGOTJK-LSCVHKIXSA-N -1 0 533.770 6.340 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408980962 1071536905 /nfs/dbraw/zinc/53/69/05/1071536905.db2.gz GVWXYLKQTABIFC-UFKHLRDRSA-N -1 0 663.752 5.059 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408980548 1071538848 /nfs/dbraw/zinc/53/88/48/1071538848.db2.gz FNNFRZOHSRXGIU-SVXDAGRPSA-N -1 0 638.145 5.695 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736294 1071556605 /nfs/dbraw/zinc/55/66/05/1071556605.db2.gz PIKCQTQFRUDIIT-HWNCECLZSA-N -1 0 566.683 6.043 40 10 KKCBRM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993844 1071562673 /nfs/dbraw/zinc/56/26/73/1071562673.db2.gz XFQPYCOIPQQBCX-SMCFQVJDSA-N -1 0 669.766 5.867 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408993848 1071562808 /nfs/dbraw/zinc/56/28/08/1071562808.db2.gz XFVWSIMAUAFCQX-KDYRRFBVSA-N -1 0 697.820 6.483 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408993012 1071568955 /nfs/dbraw/zinc/56/89/55/1071568955.db2.gz UORSTDHZEFSVDI-OEAKJJBVSA-N -1 0 677.745 6.296 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408992757 1071571040 /nfs/dbraw/zinc/57/10/40/1071571040.db2.gz BPGLLEIZSTUPGL-LICLKQGHSA-N -1 0 669.153 7.081 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5ccc(C)c(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408989938 1071594302 /nfs/dbraw/zinc/59/43/02/1071594302.db2.gz JLPKLPSDILMKEE-UDWIEESQSA-N -1 0 590.708 6.203 40 10 KKCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408988611 1071603625 /nfs/dbraw/zinc/60/36/25/1071603625.db2.gz INTZQIMQYATPEK-UHFFFAOYSA-N -1 0 555.439 5.822 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)c1 ZINC000408739416 1071603834 /nfs/dbraw/zinc/60/38/34/1071603834.db2.gz BQWBPOVBCGHSEC-UDWIEESQSA-N -1 0 509.331 5.142 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408739745 1071600990 /nfs/dbraw/zinc/60/09/90/1071600990.db2.gz FEZWZNZNMSRWOU-JAIQZWGSSA-N -1 0 602.812 5.507 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408739746 1071601037 /nfs/dbraw/zinc/60/10/37/1071601037.db2.gz FFDTZTCCTMEKQS-QGMBQPNBSA-N -1 0 655.126 6.772 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408739819 1071601515 /nfs/dbraw/zinc/60/15/15/1071601515.db2.gz ASSHHBRLGVGPQV-JAIQZWGSSA-N -1 0 620.310 5.601 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000408739817 1071601554 /nfs/dbraw/zinc/60/15/54/1071601554.db2.gz ASPINDRSDXDNSL-COEJQBHMSA-N -1 0 614.683 6.950 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)[N-]C1=S ZINC000408739810 1071601569 /nfs/dbraw/zinc/60/15/69/1071601569.db2.gz ARMBZQGARSBETA-FYJGNVAPSA-N -1 0 586.305 5.930 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408739441 1071603906 /nfs/dbraw/zinc/60/39/06/1071603906.db2.gz CAIYOYYCKMYGDR-VAMRJTSQSA-N -1 0 611.654 6.663 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408739243 1071605035 /nfs/dbraw/zinc/60/50/35/1071605035.db2.gz AHHXIGABCMUDBY-SJIPCVTESA-N -1 0 625.681 7.053 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=S)N(c6ccccc6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408987960 1071608317 /nfs/dbraw/zinc/60/83/17/1071608317.db2.gz CEZKWIJXGZIDNM-HZHRSRAPSA-N -1 0 651.751 6.748 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408744507 1071616177 /nfs/dbraw/zinc/61/61/77/1071616177.db2.gz YHDIKEQUUHJXCU-TWKHWXDSSA-N -1 0 604.131 7.695 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408744036 1071616689 /nfs/dbraw/zinc/61/66/89/1071616689.db2.gz YHVNTCHDZZNXNT-FYJGNVAPSA-N -1 0 596.459 5.475 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408743765 1071617906 /nfs/dbraw/zinc/61/79/06/1071617906.db2.gz YABYZWNJAUOBEZ-YBFXNURJSA-N -1 0 582.432 5.085 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408741721 1071623795 /nfs/dbraw/zinc/62/37/95/1071623795.db2.gz NLBIWYIIIOJGGO-YBEGLDIGSA-N -1 0 577.210 5.211 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)[N-]C2=S)c1 ZINC000408741423 1071625669 /nfs/dbraw/zinc/62/56/69/1071625669.db2.gz LXDVGDJXWZBZDS-XKZIYDEJSA-N -1 0 585.467 5.237 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)cc1 ZINC000408741212 1071626111 /nfs/dbraw/zinc/62/61/11/1071626111.db2.gz HMOPZBHCZGRJSJ-WPWMEQJKSA-N -1 0 568.611 5.829 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408740907 1071628969 /nfs/dbraw/zinc/62/89/69/1071628969.db2.gz JBFCPLQEQRIPEW-QGMBQPNBSA-N -1 0 685.221 7.246 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408740342 1071630162 /nfs/dbraw/zinc/63/01/62/1071630162.db2.gz FQCZGHQWWGOLBD-SRZZPIQSSA-N -1 0 557.455 5.811 40 10 KKCBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408757253 1071633702 /nfs/dbraw/zinc/63/37/02/1071633702.db2.gz LLWCJPUIVHARGO-WKULSOCRSA-N -1 0 548.687 6.240 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408740385 1071630301 /nfs/dbraw/zinc/63/03/01/1071630301.db2.gz FYWCHNURWVDHHD-YBFXNURJSA-N -1 0 586.305 5.930 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C2=O)cc1 ZINC000408740193 1071630802 /nfs/dbraw/zinc/63/08/02/1071630802.db2.gz JGAJXBLNHVTGJB-OFWBYEQRSA-N -1 0 588.063 7.530 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408740240 1071631400 /nfs/dbraw/zinc/63/14/00/1071631400.db2.gz FDXCBUSKPBRCCN-VXLYETTFSA-N -1 0 633.236 5.308 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)[N-]C1=S ZINC000408740167 1071632030 /nfs/dbraw/zinc/63/20/30/1071632030.db2.gz DRBSPRZVTQIPRI-VCHYOVAHSA-N -1 0 759.201 6.377 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408739987 1071632590 /nfs/dbraw/zinc/63/25/90/1071632590.db2.gz HIFCYJTWJFFCKR-RGVLZGJSSA-N -1 0 648.906 5.762 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)[N-]C1=S ZINC000408740000 1071632735 /nfs/dbraw/zinc/63/27/35/1071632735.db2.gz CIVCBYOXGKOXPR-BOPFTXTBSA-N -1 0 546.240 5.611 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408756244 1071638941 /nfs/dbraw/zinc/63/89/41/1071638941.db2.gz PLEQHNCICUQLJG-QGMBQPNBSA-N -1 0 599.821 5.394 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408755279 1071645579 /nfs/dbraw/zinc/64/55/79/1071645579.db2.gz JFQVURHTIWHWEH-RQZCQDPDSA-N -1 0 594.676 6.963 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)ccc1Br ZINC000408753474 1071656924 /nfs/dbraw/zinc/65/69/24/1071656924.db2.gz JAFKWPQUMSMURS-OEAKJJBVSA-N -1 0 620.297 6.919 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408752806 1071662654 /nfs/dbraw/zinc/66/26/54/1071662654.db2.gz CKPFMNTYVWBDCG-YBFXNURJSA-N -1 0 649.133 6.528 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000408753110 1071660875 /nfs/dbraw/zinc/66/08/75/1071660875.db2.gz HUBGBIPCZJUUMR-DJKKODMXSA-N -1 0 705.299 5.735 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408752300 1071665042 /nfs/dbraw/zinc/66/50/42/1071665042.db2.gz DAGZRSKNTJOSEP-ONUIUJJFSA-N -1 0 554.444 6.498 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409016746 1071665982 /nfs/dbraw/zinc/66/59/82/1071665982.db2.gz IFBVDAXAFGCFDO-CVKSISIWSA-N -1 0 560.050 6.297 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408751971 1071667908 /nfs/dbraw/zinc/66/79/08/1071667908.db2.gz FEQOMFUCPIIMKV-GIJQJNRQSA-N -1 0 728.029 7.290 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409014897 1071674579 /nfs/dbraw/zinc/67/45/79/1071674579.db2.gz MBUSSDDVKMQALJ-RGVLZGJSSA-N -1 0 524.404 5.967 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)cc3)C2=O)ccc1Br ZINC000408760877 1071695254 /nfs/dbraw/zinc/69/52/54/1071695254.db2.gz AODPHGVFBQMTDW-PCLIKHOPSA-N -1 0 541.401 6.156 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409009150 1071696722 /nfs/dbraw/zinc/69/67/22/1071696722.db2.gz BSIHZYVNKNLLSY-ANYBSYGZSA-N -1 0 555.659 6.651 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3c(OC(=O)c4cccc5ccccc54)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000408759067 1071702441 /nfs/dbraw/zinc/70/24/41/1071702441.db2.gz XGHZAGFJKZGRJH-USHMODERSA-N -1 0 558.615 6.052 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2I)c1 ZINC000408759158 1071703156 /nfs/dbraw/zinc/70/31/56/1071703156.db2.gz YXWHAHIBIBLCFM-VXLYETTFSA-N -1 0 757.160 6.521 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)C2=O)ccc1Br ZINC000408758943 1071703463 /nfs/dbraw/zinc/70/34/63/1071703463.db2.gz VFXOEPMMGIOXSJ-WSDLNYQXSA-N -1 0 610.291 7.463 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408758772 1071703640 /nfs/dbraw/zinc/70/36/40/1071703640.db2.gz QXTBOTHVZARQMT-LPYMAVHISA-N -1 0 506.400 5.448 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408758532 1071705006 /nfs/dbraw/zinc/70/50/06/1071705006.db2.gz LXJQSCXMQIRGMP-KEBDBYFISA-N -1 0 514.832 5.341 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1 ZINC000409025047 1071709436 /nfs/dbraw/zinc/70/94/36/1071709436.db2.gz PYEBHPCWKPROSP-FYJGNVAPSA-N -1 0 600.263 5.856 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c1C)CCCC2 ZINC000408766094 1071721101 /nfs/dbraw/zinc/72/11/01/1071721101.db2.gz OOMJJPZZQKLESU-KGENOOAVSA-N -1 0 610.530 5.948 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408766143 1071721142 /nfs/dbraw/zinc/72/11/42/1071721142.db2.gz ZRQZVHMRWMKIBZ-VXLYETTFSA-N -1 0 692.260 5.524 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408766824 1071717780 /nfs/dbraw/zinc/71/77/80/1071717780.db2.gz HEZZVXNKSDOKQV-GZTJUZNOSA-N -1 0 639.298 6.017 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408766731 1071719057 /nfs/dbraw/zinc/71/90/57/1071719057.db2.gz FPTMKACWSGDDRT-WSDLNYQXSA-N -1 0 551.813 7.045 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408765262 1071725134 /nfs/dbraw/zinc/72/51/34/1071725134.db2.gz OROYGXIAAXJFOA-VXLYETTFSA-N -1 0 645.260 5.682 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C2=O)ccc1Br ZINC000408765266 1071725185 /nfs/dbraw/zinc/72/51/85/1071725185.db2.gz VAEGUZUYMQUYSE-SRZZPIQSSA-N -1 0 583.269 6.734 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408763452 1071732273 /nfs/dbraw/zinc/73/22/73/1071732273.db2.gz FJUNPEOHDIYYGX-GIJQJNRQSA-N -1 0 644.272 5.503 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C2=O)ccc1Br ZINC000408763868 1071730185 /nfs/dbraw/zinc/73/01/85/1071730185.db2.gz PLLVEUDXFMKEHC-UDWIEESQSA-N -1 0 583.269 6.734 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408763861 1071730228 /nfs/dbraw/zinc/73/02/28/1071730228.db2.gz PIHGPODIMBLTTN-YBFXNURJSA-N -1 0 587.829 6.194 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408763554 1071731437 /nfs/dbraw/zinc/73/14/37/1071731437.db2.gz PRCXTEAVDDBWNN-VXLYETTFSA-N -1 0 618.253 5.913 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409018184 1071733129 /nfs/dbraw/zinc/73/31/29/1071733129.db2.gz YENUURDHDXOIQD-RWPZCVJISA-N -1 0 604.559 7.428 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408762683 1071734653 /nfs/dbraw/zinc/73/46/53/1071734653.db2.gz QCYMFHBFNZBEEA-OYKKKHCWSA-N -1 0 603.494 6.030 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408761680 1071738858 /nfs/dbraw/zinc/73/88/58/1071738858.db2.gz KQDQKHXKOSXCNT-DEDYPNTBSA-N -1 0 569.839 6.055 40 10 KKCBRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000408761633 1071739448 /nfs/dbraw/zinc/73/94/48/1071739448.db2.gz ADUXKQQVNXHLQK-HYARGMPZSA-N -1 0 506.400 5.394 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408777142 1071745654 /nfs/dbraw/zinc/74/56/54/1071745654.db2.gz VWFNFMVQBZBZSK-VXLYETTFSA-N -1 0 615.234 5.674 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408776032 1071751891 /nfs/dbraw/zinc/75/18/91/1071751891.db2.gz LAGAYEKWENHGSP-YBFXNURJSA-N -1 0 501.753 5.892 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408776821 1071748446 /nfs/dbraw/zinc/74/84/46/1071748446.db2.gz ZPSRJABDZODJBY-CAOOACKPSA-N -1 0 688.678 7.138 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000408776429 1071749466 /nfs/dbraw/zinc/74/94/66/1071749466.db2.gz OBPRCBDQWHTPKX-CXUHLZMHSA-N -1 0 624.753 6.797 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408776261 1071750043 /nfs/dbraw/zinc/75/00/43/1071750043.db2.gz XNTXXEKSQSKPBI-VCHYOVAHSA-N -1 0 601.837 5.374 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408775643 1071754590 /nfs/dbraw/zinc/75/45/90/1071754590.db2.gz JLDLECCWKDERTH-CXUHLZMHSA-N -1 0 657.675 6.505 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408775464 1071755263 /nfs/dbraw/zinc/75/52/63/1071755263.db2.gz QEQUSUWSGSKXET-WKULSOCRSA-N -1 0 554.090 6.882 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408775018 1071757436 /nfs/dbraw/zinc/75/74/36/1071757436.db2.gz ZTIKSPAKQXFSJQ-GIJQJNRQSA-N -1 0 623.809 6.684 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408774856 1071758488 /nfs/dbraw/zinc/75/84/88/1071758488.db2.gz DGRKUYKHNLVQQE-UDWIEESQSA-N -1 0 521.367 5.012 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408774656 1071758946 /nfs/dbraw/zinc/75/89/46/1071758946.db2.gz CKPMRLSULGHPEW-WSDLNYQXSA-N -1 0 522.960 5.740 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408774039 1071764627 /nfs/dbraw/zinc/76/46/27/1071764627.db2.gz NYUFGLJFPUBWJJ-MUFRIFMGSA-N -1 0 549.740 6.702 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408773563 1071766938 /nfs/dbraw/zinc/76/69/38/1071766938.db2.gz RZZBEWDWIRFEBL-CXUHLZMHSA-N -1 0 620.880 6.033 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408773192 1071768865 /nfs/dbraw/zinc/76/88/65/1071768865.db2.gz PVQSZUWPJGEAKZ-MFKUBSTISA-N -1 0 597.609 5.843 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408773020 1071771181 /nfs/dbraw/zinc/77/11/81/1071771181.db2.gz OQJLDVGWWOZDDE-JVWAILMASA-N -1 0 543.982 6.132 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408772770 1071771262 /nfs/dbraw/zinc/77/12/62/1071771262.db2.gz HTVHCLXHGQPCBG-SRZZPIQSSA-N -1 0 627.391 5.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408772310 1071773955 /nfs/dbraw/zinc/77/39/55/1071773955.db2.gz KOWIRLNPPAEKOA-VXLYETTFSA-N -1 0 559.833 6.599 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408772365 1071773986 /nfs/dbraw/zinc/77/39/86/1071773986.db2.gz KYJAIFMQATXDSG-GIJQJNRQSA-N -1 0 741.760 6.368 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1 ZINC000408772159 1071774638 /nfs/dbraw/zinc/77/46/38/1071774638.db2.gz DNSZGRVKXBFVGP-VXLYETTFSA-N -1 0 651.682 6.261 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408772034 1071776175 /nfs/dbraw/zinc/77/61/75/1071776175.db2.gz AHQPKLHTTBEWAW-RQZCQDPDSA-N -1 0 631.779 5.776 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408771598 1071778810 /nfs/dbraw/zinc/77/88/10/1071778810.db2.gz HMRCJKXJOZHPST-BUVRLJJBSA-N -1 0 517.368 6.392 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408771311 1071781225 /nfs/dbraw/zinc/78/12/25/1071781225.db2.gz GXXSREOZFBWCAR-KEBDBYFISA-N -1 0 559.833 6.599 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408770831 1071785012 /nfs/dbraw/zinc/78/50/12/1071785012.db2.gz BBJSAXHKXQDLIO-GIJQJNRQSA-N -1 0 669.551 6.873 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)c1 ZINC000408769615 1071791845 /nfs/dbraw/zinc/79/18/45/1071791845.db2.gz XFYYRKCBNMIODZ-MFKUBSTISA-N -1 0 555.428 6.465 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770207 1071788135 /nfs/dbraw/zinc/78/81/35/1071788135.db2.gz URLOGFLSVSXMAQ-STSIUMOZSA-N -1 0 663.550 5.699 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408769666 1071792465 /nfs/dbraw/zinc/79/24/65/1071792465.db2.gz YUYYOJFXSLZSEG-SRZZPIQSSA-N -1 0 535.940 5.119 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c1C)CCCC2 ZINC000408769422 1071792884 /nfs/dbraw/zinc/79/28/84/1071792884.db2.gz ULHKUAGCFSZGEE-UDWIEESQSA-N -1 0 538.025 5.141 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408767899 1071806374 /nfs/dbraw/zinc/80/63/74/1071806374.db2.gz AFDUBBFERJNHNI-OQLLNIDSSA-N -1 0 591.831 5.918 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408767656 1071807185 /nfs/dbraw/zinc/80/71/85/1071807185.db2.gz ZNJPIMPWTYMMDF-VXLYETTFSA-N -1 0 665.253 5.755 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408767574 1071808749 /nfs/dbraw/zinc/80/87/49/1071808749.db2.gz MSLPDKQYLXBDPH-CIAFOILYSA-N -1 0 582.394 5.162 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408782356 1071812651 /nfs/dbraw/zinc/81/26/51/1071812651.db2.gz GCIFLNCSISRWDM-FRKPEAEDSA-N -1 0 731.754 6.913 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408781798 1071813605 /nfs/dbraw/zinc/81/36/05/1071813605.db2.gz FAIZVDMEEYMURA-YBFXNURJSA-N -1 0 545.806 6.291 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408781876 1071814962 /nfs/dbraw/zinc/81/49/62/1071814962.db2.gz FRALGJDOZAADJR-FYJGNVAPSA-N -1 0 636.404 6.676 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408781038 1071821270 /nfs/dbraw/zinc/82/12/70/1071821270.db2.gz QKGHUNWNRHYPMQ-CVKSISIWSA-N -1 0 627.635 5.933 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000408780808 1071821964 /nfs/dbraw/zinc/82/19/64/1071821964.db2.gz LDVBKQIMYDHFQJ-LGUFXXKBSA-N -1 0 507.615 5.683 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408780631 1071822357 /nfs/dbraw/zinc/82/23/57/1071822357.db2.gz GRJMWWWZZUVWTF-BUVRLJJBSA-N -1 0 527.920 5.647 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408780652 1071822401 /nfs/dbraw/zinc/82/24/01/1071822401.db2.gz HDGVXSVBMPPQKA-CIAFOILYSA-N -1 0 661.290 6.006 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408779810 1071827731 /nfs/dbraw/zinc/82/77/31/1071827731.db2.gz LBOMYAQNZRZOEP-FYJGNVAPSA-N -1 0 508.441 5.305 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)C2=O)c1 ZINC000408780422 1071824961 /nfs/dbraw/zinc/82/49/61/1071824961.db2.gz YDJBWADLMLCVHE-ZMOGYAJESA-N -1 0 545.422 7.009 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409047224 1071825548 /nfs/dbraw/zinc/82/55/48/1071825548.db2.gz NHZBWQVFENXUOI-VXLYETTFSA-N -1 0 654.720 5.608 40 10 KKCBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409046508 1071830903 /nfs/dbraw/zinc/83/09/03/1071830903.db2.gz LAFAPIAITFQEGD-VGOFMYFVSA-N -1 0 542.611 5.239 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408778982 1071834095 /nfs/dbraw/zinc/83/40/95/1071834095.db2.gz ODYRCCLDZDHWSV-MDWZMJQESA-N -1 0 616.788 7.197 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1Cl ZINC000409045407 1071840764 /nfs/dbraw/zinc/84/07/64/1071840764.db2.gz GPETYLWVVONBLY-GIJQJNRQSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409045421 1071840790 /nfs/dbraw/zinc/84/07/90/1071840790.db2.gz YILWGEAGSJBHOE-YBFXNURJSA-N -1 0 654.720 5.608 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000409045247 1071842092 /nfs/dbraw/zinc/84/20/92/1071842092.db2.gz FVHODMVUMNZYQS-VXLYETTFSA-N -1 0 559.789 5.679 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408778541 1071836979 /nfs/dbraw/zinc/83/69/79/1071836979.db2.gz GWXHDASDSJFMDL-VXLYETTFSA-N -1 0 542.331 5.156 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[N-]C1=S ZINC000408778045 1071839425 /nfs/dbraw/zinc/83/94/25/1071839425.db2.gz PGYCZEMQFMEZLI-KGENOOAVSA-N -1 0 508.441 5.250 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408777494 1071843561 /nfs/dbraw/zinc/84/35/61/1071843561.db2.gz AQYJXCKRTNQMRD-CIAFOILYSA-N -1 0 627.391 5.152 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2c1 ZINC000408786925 1071846065 /nfs/dbraw/zinc/84/60/65/1071846065.db2.gz XVKYUYVPGIBMHC-OCSSWDANSA-N -1 0 564.682 6.771 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409044634 1071847136 /nfs/dbraw/zinc/84/71/36/1071847136.db2.gz WFVJAONQFZGZHE-QGMBQPNBSA-N -1 0 570.643 7.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409044491 1071848083 /nfs/dbraw/zinc/84/80/83/1071848083.db2.gz VKSWBSNSRXGUHF-VXLYETTFSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)c1 ZINC000408786673 1071849118 /nfs/dbraw/zinc/84/91/18/1071849118.db2.gz UPFGCDMPLMFQRC-KEBDBYFISA-N -1 0 540.359 5.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409044376 1071849753 /nfs/dbraw/zinc/84/97/53/1071849753.db2.gz BQTCDCAQURIGKX-VXLYETTFSA-N -1 0 606.654 5.816 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408786551 1071849857 /nfs/dbraw/zinc/84/98/57/1071849857.db2.gz KLJDOLVZMZPOTM-JJIBRWJFSA-N -1 0 556.485 6.355 40 10 KKCBRM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000409044342 1071849924 /nfs/dbraw/zinc/84/99/24/1071849924.db2.gz CCFVZJZCRDAQCX-RIYZIHGNSA-N -1 0 556.638 5.566 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC(=O)[O-])c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408786077 1071852393 /nfs/dbraw/zinc/85/23/93/1071852393.db2.gz LJFBBSFOZIORFG-JAIQZWGSSA-N -1 0 738.341 5.724 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408785781 1071854963 /nfs/dbraw/zinc/85/49/63/1071854963.db2.gz ZGYDNLSILYLVJK-VCHYOVAHSA-N -1 0 580.209 5.672 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C)cc3)C2=O)cc1 ZINC000409043997 1071854937 /nfs/dbraw/zinc/85/49/37/1071854937.db2.gz AIVPDQGJZSFSBW-CIAFOILYSA-N -1 0 539.371 5.334 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)c1 ZINC000408785818 1071855168 /nfs/dbraw/zinc/85/51/68/1071855168.db2.gz ZQGAUZJRYZSQFD-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409043649 1071857611 /nfs/dbraw/zinc/85/76/11/1071857611.db2.gz SPPHAMYVISLBPP-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C1=O ZINC000409043674 1071857688 /nfs/dbraw/zinc/85/76/88/1071857688.db2.gz SYPIVAHPDQRXQJ-DJKKODMXSA-N -1 0 533.770 6.340 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408785129 1071860053 /nfs/dbraw/zinc/86/00/53/1071860053.db2.gz XYISVEJAHPNJES-FYJGNVAPSA-N -1 0 526.489 6.530 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408784929 1071860616 /nfs/dbraw/zinc/86/06/16/1071860616.db2.gz WUNDOGGFYBKTKH-AFUMVMLFSA-N -1 0 639.333 7.409 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408784956 1071860657 /nfs/dbraw/zinc/86/06/57/1071860657.db2.gz WGURVSURIHYVLO-AWQFTUOYSA-N -1 0 559.833 6.518 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408784719 1071861448 /nfs/dbraw/zinc/86/14/48/1071861448.db2.gz SBTVHWBTDCYRNL-HYARGMPZSA-N -1 0 585.504 5.508 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408784770 1071861844 /nfs/dbraw/zinc/86/18/44/1071861844.db2.gz SPGNKYWSKHALRQ-RGVLZGJSSA-N -1 0 573.802 5.886 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409043258 1071862583 /nfs/dbraw/zinc/86/25/83/1071862583.db2.gz DMGSISGXBRUJLC-VIZOYTHASA-N -1 0 611.317 6.237 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408783525 1071870594 /nfs/dbraw/zinc/87/05/94/1071870594.db2.gz OCPGEUFQVLJSNA-RGVLZGJSSA-N -1 0 600.263 5.774 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408784554 1071864665 /nfs/dbraw/zinc/86/46/65/1071864665.db2.gz UPJKDWZCTGMGAI-CIAFOILYSA-N -1 0 616.839 5.897 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408782624 1071875478 /nfs/dbraw/zinc/87/54/78/1071875478.db2.gz XPESWGQOYCUEBD-UDWIEESQSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408787259 1071876274 /nfs/dbraw/zinc/87/62/74/1071876274.db2.gz VZMUJZNLIDIXSQ-LPYMAVHISA-N -1 0 596.421 5.552 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OC ZINC000408787278 1071876309 /nfs/dbraw/zinc/87/63/09/1071876309.db2.gz WIFMFCPZBAYUEX-WUXMJOGZSA-N -1 0 594.711 5.037 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409042347 1071871643 /nfs/dbraw/zinc/87/16/43/1071871643.db2.gz MMRGGEZYTJGAMZ-GIJQJNRQSA-N -1 0 668.747 5.916 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408783175 1071872414 /nfs/dbraw/zinc/87/24/14/1071872414.db2.gz LSBHREORAOSXDK-VCHYOVAHSA-N -1 0 594.236 5.980 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)[N-]C1=S ZINC000408782993 1071872975 /nfs/dbraw/zinc/87/29/75/1071872975.db2.gz LRYNSZVUNNTOKQ-MHWRWJLKSA-N -1 0 561.925 6.199 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1 ZINC000408782876 1071874321 /nfs/dbraw/zinc/87/43/21/1071874321.db2.gz KQGCDVFBQPUAMU-UDWIEESQSA-N -1 0 617.237 5.608 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1C ZINC000409041105 1071882391 /nfs/dbraw/zinc/88/23/91/1071882391.db2.gz IILACPOCMHCBNN-KEBDBYFISA-N -1 0 618.709 6.727 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408795484 1071882416 /nfs/dbraw/zinc/88/24/16/1071882416.db2.gz CFQWGCOXPKJOAW-QCFMCPCVSA-N -1 0 618.689 8.126 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408795351 1071883005 /nfs/dbraw/zinc/88/30/05/1071883005.db2.gz BZPCPURRBCJSEE-UFFVCSGVSA-N -1 0 616.839 5.815 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408795285 1071883225 /nfs/dbraw/zinc/88/32/25/1071883225.db2.gz BUPCJTWTKUKRJO-DEDYPNTBSA-N -1 0 511.759 5.348 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408795208 1071883324 /nfs/dbraw/zinc/88/33/24/1071883324.db2.gz BRDNXVNPAVTNKK-LICLKQGHSA-N -1 0 515.324 5.387 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000408796297 1071879140 /nfs/dbraw/zinc/87/91/40/1071879140.db2.gz ABDBBAHMXXMOAW-WSDLNYQXSA-N -1 0 553.840 6.273 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409041654 1071879419 /nfs/dbraw/zinc/87/94/19/1071879419.db2.gz KJTSWXALMJEUAQ-QGMBQPNBSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408796049 1071880550 /nfs/dbraw/zinc/88/05/50/1071880550.db2.gz CWYKQOFUPLBHIT-BUVRLJJBSA-N -1 0 577.431 5.488 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408796038 1071880686 /nfs/dbraw/zinc/88/06/86/1071880686.db2.gz CRSPUIOSWVBCPJ-CAOOACKPSA-N -1 0 657.675 6.505 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409040632 1071889691 /nfs/dbraw/zinc/88/96/91/1071889691.db2.gz HFRNDZTZKZDCJW-VXLYETTFSA-N -1 0 651.105 5.925 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000409040084 1071892543 /nfs/dbraw/zinc/89/25/43/1071892543.db2.gz FNBAPWMBBKLETM-YBFXNURJSA-N -1 0 525.344 5.025 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408791210 1071891662 /nfs/dbraw/zinc/89/16/62/1071891662.db2.gz XEILPUYIMVRGAR-OEAKJJBVSA-N -1 0 596.959 6.681 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408789259 1071896124 /nfs/dbraw/zinc/89/61/24/1071896124.db2.gz HYPQSRFHQOFBBO-CIAFOILYSA-N -1 0 553.384 5.541 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408806419 1071904456 /nfs/dbraw/zinc/90/44/56/1071904456.db2.gz NABYEQZZVPSHHF-LFVJCYFKSA-N -1 0 541.003 6.446 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408805999 1071905145 /nfs/dbraw/zinc/90/51/45/1071905145.db2.gz DOIGJDSCNVFOTN-VCHYOVAHSA-N -1 0 542.331 5.156 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408806648 1071903149 /nfs/dbraw/zinc/90/31/49/1071903149.db2.gz GBEDLLQRBFUOOH-UFFVCSGVSA-N -1 0 627.391 5.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408805712 1071906324 /nfs/dbraw/zinc/90/63/24/1071906324.db2.gz CFGDBONAPYUDBS-ZMOGYAJESA-N -1 0 605.872 6.900 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408805078 1071907645 /nfs/dbraw/zinc/90/76/45/1071907645.db2.gz DFKSZFBPCCFCNM-WSDLNYQXSA-N -1 0 504.970 5.519 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)c1C ZINC000408804824 1071908785 /nfs/dbraw/zinc/90/87/85/1071908785.db2.gz ZOCKHBOBBXMNFA-PCLIKHOPSA-N -1 0 521.529 5.610 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408804431 1071909380 /nfs/dbraw/zinc/90/93/80/1071909380.db2.gz FXKKOPADKGCLCY-ZVHZXABRSA-N -1 0 585.454 6.473 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408803061 1071910687 /nfs/dbraw/zinc/91/06/87/1071910687.db2.gz KWMAELQREHCXQL-DJKKODMXSA-N -1 0 556.358 5.464 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000409049444 1071912217 /nfs/dbraw/zinc/91/22/17/1071912217.db2.gz QWXDSOMKMDNCMC-CNHKJKLMSA-N -1 0 673.572 7.726 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409047488 1071916154 /nfs/dbraw/zinc/91/61/54/1071916154.db2.gz MTESIVJNERKTKW-WGOQTCKBSA-N -1 0 656.489 5.721 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409054491 1071917334 /nfs/dbraw/zinc/91/73/34/1071917334.db2.gz GOSXDRHFYLDARX-LICLKQGHSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409056438 1071920824 /nfs/dbraw/zinc/92/08/24/1071920824.db2.gz MHCLOXSOCLSFDX-DHRITJCHSA-N -1 0 731.224 8.343 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409053439 1071940285 /nfs/dbraw/zinc/94/02/85/1071940285.db2.gz CPLSOLNMYCVAFD-CVKSISIWSA-N -1 0 618.429 6.726 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1C ZINC000409053440 1071940333 /nfs/dbraw/zinc/94/03/33/1071940333.db2.gz CQFCQMCKZKQOLK-SRZZPIQSSA-N -1 0 513.352 5.995 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409053905 1071937635 /nfs/dbraw/zinc/93/76/35/1071937635.db2.gz DLAPNKUDKYWODZ-VCHYOVAHSA-N -1 0 649.679 6.327 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000409050071 1071960639 /nfs/dbraw/zinc/96/06/39/1071960639.db2.gz ZWLYZHMRQHFJGC-UDWIEESQSA-N -1 0 664.328 5.353 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409050118 1071960656 /nfs/dbraw/zinc/96/06/56/1071960656.db2.gz YZNUGROBWORTBB-VXLYETTFSA-N -1 0 653.096 6.359 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1 ZINC000409050250 1071959427 /nfs/dbraw/zinc/95/94/27/1071959427.db2.gz SWIAERWJUIWRSF-YBFXNURJSA-N -1 0 632.236 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409050031 1071959907 /nfs/dbraw/zinc/95/99/07/1071959907.db2.gz ZNQFEGYOSXSAMS-UDWIEESQSA-N -1 0 582.440 5.693 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409049970 1071961721 /nfs/dbraw/zinc/96/17/21/1071961721.db2.gz RTWBIUONUKLPKP-DJKKODMXSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409049571 1071962849 /nfs/dbraw/zinc/96/28/49/1071962849.db2.gz WQTAXAXQMLBBOL-GIJQJNRQSA-N -1 0 669.551 6.873 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409049249 1071966886 /nfs/dbraw/zinc/96/68/86/1071966886.db2.gz VYNFYVVCRUQTKY-VXLYETTFSA-N -1 0 680.103 6.128 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1C ZINC000409048320 1071972657 /nfs/dbraw/zinc/97/26/57/1071972657.db2.gz SLWJOFRMYFKZAT-SRZZPIQSSA-N -1 0 529.807 6.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409048747 1071968808 /nfs/dbraw/zinc/96/88/08/1071968808.db2.gz TUWRWTWDOLCDGQ-GIJQJNRQSA-N -1 0 588.831 5.648 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1 ZINC000409048787 1071969277 /nfs/dbraw/zinc/96/92/77/1071969277.db2.gz UBVXTQGHQCBHHR-RGVLZGJSSA-N -1 0 648.329 5.571 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409048567 1071969818 /nfs/dbraw/zinc/96/98/18/1071969818.db2.gz SAYPHDOANJVDEG-KEBDBYFISA-N -1 0 604.682 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409048213 1071974500 /nfs/dbraw/zinc/97/45/00/1071974500.db2.gz RLKSNUQSYWRWEI-VXLYETTFSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409047863 1071976233 /nfs/dbraw/zinc/97/62/33/1071976233.db2.gz NNOMQCBNQPQOLD-WGOQTCKBSA-N -1 0 726.399 6.533 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409047683 1071977264 /nfs/dbraw/zinc/97/72/64/1071977264.db2.gz PTLDBPVWFJEHQP-GZTJUZNOSA-N -1 0 501.753 5.892 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409059174 1071983255 /nfs/dbraw/zinc/98/32/55/1071983255.db2.gz UUSXTPSPZCTLHN-AFUMVMLFSA-N -1 0 652.328 7.580 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409059158 1071983282 /nfs/dbraw/zinc/98/32/82/1071983282.db2.gz UNOKHBYUUURZQY-VCHYOVAHSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409058780 1071984333 /nfs/dbraw/zinc/98/43/33/1071984333.db2.gz TTWZLDAQONEDJU-AFUMVMLFSA-N -1 0 591.422 6.957 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409058063 1071989031 /nfs/dbraw/zinc/98/90/31/1071989031.db2.gz QXKMIOWCRWHXNM-YDZHTSKRSA-N -1 0 624.260 6.749 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409063104 1071996862 /nfs/dbraw/zinc/99/68/62/1071996862.db2.gz GZJRDBGJYIHWJA-UHFFFAOYSA-N -1 0 627.447 6.318 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409065397 1072010096 /nfs/dbraw/zinc/01/00/96/1072010096.db2.gz LKTHWKGYYBHSTL-XDHOZWIPSA-N -1 0 508.336 5.802 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409064420 1072015990 /nfs/dbraw/zinc/01/59/90/1072015990.db2.gz CUAHQXDETFYIIJ-YBFXNURJSA-N -1 0 595.844 5.480 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409064485 1072014564 /nfs/dbraw/zinc/01/45/64/1072014564.db2.gz CXVWKKRKFANZNJ-PCLIKHOPSA-N -1 0 619.051 5.362 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409064944 1072011779 /nfs/dbraw/zinc/01/17/79/1072011779.db2.gz JMCHGRRNBRGJJM-WOJGMQOQSA-N -1 0 596.242 5.190 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064068 1072017513 /nfs/dbraw/zinc/01/75/13/1072017513.db2.gz BKSJVECJXUUAOM-VCHYOVAHSA-N -1 0 717.719 5.150 40 10 KKCBRM Cc1ccc(NC(=O)c2c([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409061594 1072027745 /nfs/dbraw/zinc/02/77/45/1072027745.db2.gz GFJXJABMPAJJAJ-GOSISDBHSA-N -1 0 541.695 6.477 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409060278 1072035476 /nfs/dbraw/zinc/03/54/76/1072035476.db2.gz ZECVZOPKEVJTNJ-DJKKODMXSA-N -1 0 683.136 6.550 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1Cl ZINC000409060195 1072036441 /nfs/dbraw/zinc/03/64/41/1072036441.db2.gz YGIWZQOKRGXKQJ-VXLYETTFSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409076713 1072046465 /nfs/dbraw/zinc/04/64/65/1072046465.db2.gz BXWZCIFWLQYIHZ-LZYBPNLTSA-N -1 0 543.275 5.269 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076829 1072047350 /nfs/dbraw/zinc/04/73/50/1072047350.db2.gz CLWDQJNXHMQEFY-CXUHLZMHSA-N -1 0 601.355 5.976 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409076455 1072050395 /nfs/dbraw/zinc/05/03/95/1072050395.db2.gz ALSYPBUPMZJHSM-VIZOYTHASA-N -1 0 673.167 6.736 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409076232 1072053792 /nfs/dbraw/zinc/05/37/92/1072053792.db2.gz ABIQMQITFLXDNN-WSDLNYQXSA-N -1 0 649.399 6.848 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409076222 1072053821 /nfs/dbraw/zinc/05/38/21/1072053821.db2.gz ZWLKGUSBNXEAAB-GIJQJNRQSA-N -1 0 640.295 5.507 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075808 1072057882 /nfs/dbraw/zinc/05/78/82/1072057882.db2.gz UMFMLNGYYXUJIQ-VCHYOVAHSA-N -1 0 658.683 5.438 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075098 1072064550 /nfs/dbraw/zinc/06/45/50/1072064550.db2.gz UILLZNNHCIOPTE-GIJQJNRQSA-N -1 0 595.844 5.398 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074336 1072069139 /nfs/dbraw/zinc/06/91/39/1072069139.db2.gz TYMXUTNFOJQZOF-GIJQJNRQSA-N -1 0 685.690 5.207 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409074138 1072070050 /nfs/dbraw/zinc/07/00/50/1072070050.db2.gz YDVZPYCITWLICR-NLRVBDNBSA-N -1 0 589.025 5.353 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409073062 1072077080 /nfs/dbraw/zinc/07/70/80/1072077080.db2.gz XAUMLFMQPJPOON-XDHOZWIPSA-N -1 0 508.987 5.104 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409072523 1072081785 /nfs/dbraw/zinc/08/17/85/1072081785.db2.gz CLNUUONPXCDXDU-LDADJPATSA-N -1 0 508.336 5.802 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409071365 1072089406 /nfs/dbraw/zinc/08/94/06/1072089406.db2.gz QWSFIIDRZNVEOO-SFQUDFHCSA-N -1 0 503.794 6.464 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409069748 1072100135 /nfs/dbraw/zinc/10/01/35/1072100135.db2.gz WDOGUPOMXKBBNH-YBFXNURJSA-N -1 0 575.426 5.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068992 1072106353 /nfs/dbraw/zinc/10/63/53/1072106353.db2.gz VDQBLJDVJRKRNK-RQZCQDPDSA-N -1 0 674.740 6.242 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409068614 1072110248 /nfs/dbraw/zinc/11/02/48/1072110248.db2.gz UGNPPYZYNSZCNW-VCHYOVAHSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C([O-])COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409068043 1072114372 /nfs/dbraw/zinc/11/43/72/1072114372.db2.gz FLMKIYNEHKELMQ-UHFFFAOYSA-N -1 0 600.219 5.258 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409067858 1072115318 /nfs/dbraw/zinc/11/53/18/1072115318.db2.gz RMMBMEJIFFXJEQ-BUVRLJJBSA-N -1 0 623.470 6.007 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409080506 1072123726 /nfs/dbraw/zinc/12/37/26/1072123726.db2.gz DXNQGSPSYOTZNP-VIZOYTHASA-N -1 0 561.265 5.408 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079999 1072127878 /nfs/dbraw/zinc/12/78/78/1072127878.db2.gz CTAWGWUILQGURW-LICLKQGHSA-N -1 0 621.278 5.743 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078791 1072140874 /nfs/dbraw/zinc/14/08/74/1072140874.db2.gz DBVXMCZWJDXSOC-VXLYETTFSA-N -1 0 580.937 5.631 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409078651 1072142074 /nfs/dbraw/zinc/14/20/74/1072142074.db2.gz HTKSWROOGBCITP-VCHYOVAHSA-N -1 0 587.328 5.667 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077979 1072150571 /nfs/dbraw/zinc/15/05/71/1072150571.db2.gz GZXMPIUPAMKNIF-YDZHTSKRSA-N -1 0 761.301 8.176 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086653 1072162205 /nfs/dbraw/zinc/16/22/05/1072162205.db2.gz AGCWDONZBYCRGX-LICLKQGHSA-N -1 0 547.829 5.431 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086460 1072167414 /nfs/dbraw/zinc/16/74/14/1072167414.db2.gz DTLLDEIXGGJNMJ-CXUHLZMHSA-N -1 0 632.177 5.487 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Cl)cc1 ZINC000409085870 1072173824 /nfs/dbraw/zinc/17/38/24/1072173824.db2.gz OTROKHGQYVZNFN-UQQQWYQISA-N -1 0 508.961 6.452 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409085894 1072174206 /nfs/dbraw/zinc/17/42/06/1072174206.db2.gz XFTKALPEYYLZBK-CXUHLZMHSA-N -1 0 587.726 5.378 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085710 1072175436 /nfs/dbraw/zinc/17/54/36/1072175436.db2.gz ZRUOZHRCYCPCBR-FRKPEAEDSA-N -1 0 610.328 6.696 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Br)cc1 ZINC000409084720 1072187288 /nfs/dbraw/zinc/18/72/88/1072187288.db2.gz XHUALAJHMVQEDR-UQQQWYQISA-N -1 0 553.412 6.561 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083339 1072201558 /nfs/dbraw/zinc/20/15/58/1072201558.db2.gz VBYQKYOZIQYXEV-YDZHTSKRSA-N -1 0 738.301 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082796 1072208531 /nfs/dbraw/zinc/20/85/31/1072208531.db2.gz NGZJJZXKCJIFOJ-LZYBPNLTSA-N -1 0 650.167 5.626 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409082602 1072209202 /nfs/dbraw/zinc/20/92/02/1072209202.db2.gz RYTLJYJJVSBNJX-RQZCQDPDSA-N -1 0 619.892 5.521 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082115 1072213905 /nfs/dbraw/zinc/21/39/05/1072213905.db2.gz LUBDYHPRVCXJST-RQZCQDPDSA-N -1 0 543.275 5.269 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081743 1072219876 /nfs/dbraw/zinc/21/98/76/1072219876.db2.gz QMDGSWMCHCBGSW-LZYBPNLTSA-N -1 0 640.752 6.497 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081813 1072220712 /nfs/dbraw/zinc/22/07/12/1072220712.db2.gz OLHBQDLTLAXOKI-RQZCQDPDSA-N -1 0 631.779 5.776 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081263 1072224106 /nfs/dbraw/zinc/22/41/06/1072224106.db2.gz PHRHWKMPZKZMCI-MKMNVTDBSA-N -1 0 699.197 5.882 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080954 1072226751 /nfs/dbraw/zinc/22/67/51/1072226751.db2.gz OMCSLQJCLUCXOW-LZYBPNLTSA-N -1 0 582.274 6.085 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081021 1072227731 /nfs/dbraw/zinc/22/77/31/1072227731.db2.gz PAYCMGBNRBGOFF-LICLKQGHSA-N -1 0 587.726 5.378 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081057 1072227794 /nfs/dbraw/zinc/22/77/94/1072227794.db2.gz FZCHRUJTHJIDAC-CAOOACKPSA-N -1 0 645.806 6.085 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409096929 1072230974 /nfs/dbraw/zinc/23/09/74/1072230974.db2.gz LORBEEHWIOJFTJ-PXLXIMEGSA-N -1 0 506.071 6.185 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000409094633 1072245394 /nfs/dbraw/zinc/24/53/94/1072245394.db2.gz FDRRLGGKHCUADC-MHWRWJLKSA-N -1 0 518.784 5.729 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409093436 1072252785 /nfs/dbraw/zinc/25/27/85/1072252785.db2.gz ZDXQEXPQGMYMTG-MHWRWJLKSA-N -1 0 557.302 5.577 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409093270 1072254634 /nfs/dbraw/zinc/25/46/34/1072254634.db2.gz ZRGIPQPYCZMQBC-VCHYOVAHSA-N -1 0 566.910 5.322 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409093336 1072255169 /nfs/dbraw/zinc/25/51/69/1072255169.db2.gz YRVFFZLTPDCYDV-PCLIKHOPSA-N -1 0 603.509 6.651 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409092673 1072260248 /nfs/dbraw/zinc/26/02/48/1072260248.db2.gz WBJGTOZGYUMPGU-RQZCQDPDSA-N -1 0 596.301 6.388 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091558 1072271028 /nfs/dbraw/zinc/27/10/28/1072271028.db2.gz RJCLHWWOKAGDGC-FRKPEAEDSA-N -1 0 698.304 5.594 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090121 1072284956 /nfs/dbraw/zinc/28/49/56/1072284956.db2.gz LDMVSOVTZJHCCM-VCHYOVAHSA-N -1 0 582.909 5.022 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088653 1072297111 /nfs/dbraw/zinc/29/71/11/1072297111.db2.gz GECOVZQHBNFCIU-ZTJHJZSNSA-N -1 0 694.604 5.074 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088091 1072302884 /nfs/dbraw/zinc/30/28/84/1072302884.db2.gz FEBFDEYECCJWKY-GZTJUZNOSA-N -1 0 527.411 5.081 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087437 1072308474 /nfs/dbraw/zinc/30/84/74/1072308474.db2.gz UCQJTYDJIATWSY-CAOOACKPSA-N -1 0 601.355 5.976 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409100198 1072321987 /nfs/dbraw/zinc/32/19/87/1072321987.db2.gz SYQWYSKUKAEHGC-DEDYPNTBSA-N -1 0 527.827 6.229 40 10 KKCBRM CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4cccs4)C3=O)o2)cc1 ZINC000409335410 1072340334 /nfs/dbraw/zinc/34/03/34/1072340334.db2.gz ZRGPIEGWELXLIA-XSFVSMFZSA-N -1 0 512.634 5.511 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409334190 1072348097 /nfs/dbraw/zinc/34/80/97/1072348097.db2.gz VWVMYQIHPSCUDD-CIAFOILYSA-N -1 0 554.422 5.230 40 10 KKCBRM CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409331767 1072367867 /nfs/dbraw/zinc/36/78/67/1072367867.db2.gz OZMOCNITJJZSKS-UUYOSTAYSA-N -1 0 524.982 6.097 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)cc1N1CCCC[C@H]1C ZINC000409331376 1072369674 /nfs/dbraw/zinc/36/96/74/1072369674.db2.gz CAANCQSKAFKEMZ-VOLNOZNDSA-N -1 0 580.085 6.510 40 10 KKCBRM CC(C)(C)[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3cccc4cccc(Cl)c43)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409110936 1072370416 /nfs/dbraw/zinc/37/04/16/1072370416.db2.gz ZTGKZTLHQNBPHA-GOSISDBHSA-N -1 0 587.594 8.412 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(I)c([O-])c(I)c3)SC2=S)cc1Cl ZINC000409330777 1072374155 /nfs/dbraw/zinc/37/41/55/1072374155.db2.gz MPSIBACBVNDPJD-MKMNVTDBSA-N -1 0 629.666 5.669 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409329334 1072385392 /nfs/dbraw/zinc/38/53/92/1072385392.db2.gz DVPUQRPHLNPIMU-MLPAPPSSSA-N -1 0 599.640 5.661 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1cccc(F)c1 ZINC000409328931 1072388966 /nfs/dbraw/zinc/38/89/66/1072388966.db2.gz AQQVLHCSDDTCFH-MLPAPPSSSA-N -1 0 583.185 5.146 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1Cl ZINC000409328333 1072393710 /nfs/dbraw/zinc/39/37/10/1072393710.db2.gz SIQJJZDXDHYWLO-VCHYOVAHSA-N -1 0 509.914 6.723 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1cccs1 ZINC000409327726 1072398309 /nfs/dbraw/zinc/39/83/09/1072398309.db2.gz LWRCKOFUTVMBJG-GIJQJNRQSA-N -1 0 630.445 6.776 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409122602 1072421026 /nfs/dbraw/zinc/42/10/26/1072421026.db2.gz ACYIHFRBRFKTLE-WPWMEQJKSA-N -1 0 515.638 6.291 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409344738 1072430656 /nfs/dbraw/zinc/43/06/56/1072430656.db2.gz IFMBELHDRKMSQR-YVLHZVERSA-N -1 0 615.255 6.160 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)SC1=S ZINC000409343644 1072438455 /nfs/dbraw/zinc/43/84/55/1072438455.db2.gz HZANIKXLAGTRBY-RIYZIHGNSA-N -1 0 595.221 5.016 40 10 KKCBRM O=C(NC1CCCCC1)c1c2c(sc1[N-]S(=O)(=O)c1cccc3cccc(Cl)c31)CCCC2 ZINC000409118639 1072440073 /nfs/dbraw/zinc/44/00/73/1072440073.db2.gz PGSLSVPRVHIZNR-UHFFFAOYSA-N -1 0 503.089 6.297 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409342787 1072446474 /nfs/dbraw/zinc/44/64/74/1072446474.db2.gz FKOFALFODGYAPX-ODLFYWEKSA-N -1 0 500.395 5.472 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409127250 1072447212 /nfs/dbraw/zinc/44/72/12/1072447212.db2.gz GYOJQHKGHOSJBJ-FYJGNVAPSA-N -1 0 569.441 6.032 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409127193 1072448159 /nfs/dbraw/zinc/44/81/59/1072448159.db2.gz IRBKLDJUAAVFPA-SRZZPIQSSA-N -1 0 648.337 6.794 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409124290 1072467950 /nfs/dbraw/zinc/46/79/50/1072467950.db2.gz BBCIFDNRUOSSQL-YDZHTSKRSA-N -1 0 688.490 5.867 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409339962 1072469627 /nfs/dbraw/zinc/46/96/27/1072469627.db2.gz NNJBXBPROUNLRU-XDHOZWIPSA-N -1 0 608.504 5.487 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409339834 1072471303 /nfs/dbraw/zinc/47/13/03/1072471303.db2.gz ZGKMRVGHKJTBGF-FYJGNVAPSA-N -1 0 541.632 5.180 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409136684 1072477425 /nfs/dbraw/zinc/47/74/25/1072477425.db2.gz YKUXYBRZSQWKJJ-LFVJCYFKSA-N -1 0 549.023 5.687 40 10 KKCBRM COc1cccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409338509 1072483664 /nfs/dbraw/zinc/48/36/64/1072483664.db2.gz LDKNBFLYJWDZLK-XDHOZWIPSA-N -1 0 517.053 5.535 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)SC2=S)cc1 ZINC000409338389 1072485673 /nfs/dbraw/zinc/48/56/73/1072485673.db2.gz JAIWHBRUUAOMJU-ZSOIEALJSA-N -1 0 595.221 5.016 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409135228 1072487796 /nfs/dbraw/zinc/48/77/96/1072487796.db2.gz VVBVDSJTICETAP-LPYMAVHISA-N -1 0 597.039 5.916 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409134549 1072491003 /nfs/dbraw/zinc/49/10/03/1072491003.db2.gz WCTMTLJWEJQZDS-LPYMAVHISA-N -1 0 692.788 6.903 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409131784 1072507116 /nfs/dbraw/zinc/50/71/16/1072507116.db2.gz JKIPTOUDDJEIRZ-UDWIEESQSA-N -1 0 619.479 5.221 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409129868 1072516957 /nfs/dbraw/zinc/51/69/57/1072516957.db2.gz MMAAHHSHTNKRMT-XQNSMLJCSA-N -1 0 534.996 5.378 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409129931 1072517375 /nfs/dbraw/zinc/51/73/75/1072517375.db2.gz LJKHGIZOABEAOK-LPYMAVHISA-N -1 0 676.333 6.389 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409128611 1072524736 /nfs/dbraw/zinc/52/47/36/1072524736.db2.gz SLHDIQJDVQUQOH-LPYMAVHISA-N -1 0 657.945 6.540 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409128103 1072528254 /nfs/dbraw/zinc/52/82/54/1072528254.db2.gz DPYOQCAPFGNSOV-MTDXEUNCSA-N -1 0 535.669 6.121 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409351551 1072534214 /nfs/dbraw/zinc/53/42/14/1072534214.db2.gz UWGLDTHOWKHJIB-HMAPJEAMSA-N -1 0 553.687 5.019 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409351197 1072536391 /nfs/dbraw/zinc/53/63/91/1072536391.db2.gz ZDKRDNKYGVGBSS-CXUHLZMHSA-N -1 0 537.019 5.068 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409350057 1072545313 /nfs/dbraw/zinc/54/53/13/1072545313.db2.gz WZWDHTKWKLEWMB-DJKKODMXSA-N -1 0 600.368 6.943 40 10 KKCBRM CCN(CC)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409349783 1072547051 /nfs/dbraw/zinc/54/70/51/1072547051.db2.gz QVPLHUPYOHPTSE-YDZHTSKRSA-N -1 0 611.727 5.066 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409142244 1072549597 /nfs/dbraw/zinc/54/95/97/1072549597.db2.gz XBBSVKBDKDRBIL-HYARGMPZSA-N -1 0 579.447 5.488 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409349195 1072551072 /nfs/dbraw/zinc/55/10/72/1072551072.db2.gz UWMRUGFHHVEIRI-IUXPMGMMSA-N -1 0 528.486 5.090 40 10 KKCBRM Cc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409348406 1072558160 /nfs/dbraw/zinc/55/81/60/1072558160.db2.gz SLKPPLQAZAAKBV-JAIQZWGSSA-N -1 0 502.539 6.217 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409139915 1072562884 /nfs/dbraw/zinc/56/28/84/1072562884.db2.gz PEGWHCLAIUWDQS-WPWMEQJKSA-N -1 0 570.114 6.775 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409347627 1072562876 /nfs/dbraw/zinc/56/28/76/1072562876.db2.gz QNCZNDUOMQAYPM-QGMBQPNBSA-N -1 0 679.264 7.705 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000409139523 1072564357 /nfs/dbraw/zinc/56/43/57/1072564357.db2.gz BERPESHLZCHSCW-LPYMAVHISA-N -1 0 569.441 6.032 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(C)c1 ZINC000409137818 1072573945 /nfs/dbraw/zinc/57/39/45/1072573945.db2.gz WQYMYRWWBSYOKN-ANYBSYGZSA-N -1 0 553.687 7.259 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409137329 1072575821 /nfs/dbraw/zinc/57/58/21/1072575821.db2.gz VRHAIXGNUPIQPJ-YBFXNURJSA-N -1 0 542.886 5.958 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OCC ZINC000409365231 1072579231 /nfs/dbraw/zinc/57/92/31/1072579231.db2.gz TXJKLEAATGJXTA-HZHRSRAPSA-N -1 0 640.462 5.460 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000409364557 1072583508 /nfs/dbraw/zinc/58/35/08/1072583508.db2.gz XMANEBAPJGGDRB-CXUHLZMHSA-N -1 0 521.795 5.265 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409364363 1072584444 /nfs/dbraw/zinc/58/44/44/1072584444.db2.gz PGADSJDCLUVWDX-PKAZHMFMSA-N -1 0 644.453 5.851 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364441 1072585060 /nfs/dbraw/zinc/58/50/60/1072585060.db2.gz POPSOMSXJOITQF-IUXPMGMMSA-N -1 0 637.245 5.588 40 10 KKCBRM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)ccc1Cl ZINC000409155790 1072598360 /nfs/dbraw/zinc/59/83/60/1072598360.db2.gz CRENWINTPALJLH-QRVIBDJDSA-N -1 0 583.018 5.848 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154561 1072605002 /nfs/dbraw/zinc/60/50/02/1072605002.db2.gz OOQIAZAFCSYHQH-ANSQWYIGSA-N -1 0 589.313 8.177 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152156 1072620784 /nfs/dbraw/zinc/62/07/84/1072620784.db2.gz JPVOQJXARIJNDW-WOVHNISZSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409150912 1072626150 /nfs/dbraw/zinc/62/61/50/1072626150.db2.gz DZMBUTDRJXKXDE-GOHWNWGWSA-N -1 0 554.868 7.523 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1OCC ZINC000409376674 1072628367 /nfs/dbraw/zinc/62/83/67/1072628367.db2.gz CLWZGJGCVDVULH-KGENOOAVSA-N -1 0 638.073 5.229 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409376196 1072630101 /nfs/dbraw/zinc/63/01/01/1072630101.db2.gz VSKIGMMTVAJOIL-CIAFOILYSA-N -1 0 569.452 5.570 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409375383 1072632739 /nfs/dbraw/zinc/63/27/39/1072632739.db2.gz KBDMGIFSNWBWTQ-BUVRLJJBSA-N -1 0 543.048 5.327 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409375047 1072633895 /nfs/dbraw/zinc/63/38/95/1072633895.db2.gz DTBBYDADPJFWAF-RGVLZGJSSA-N -1 0 634.379 7.127 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409374293 1072638080 /nfs/dbraw/zinc/63/80/80/1072638080.db2.gz LOSYRMBOTJTYKJ-QGMBQPNBSA-N -1 0 641.245 5.831 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409374140 1072639316 /nfs/dbraw/zinc/63/93/16/1072639316.db2.gz YXBSYVLTZUACNP-DIBXZPPDSA-N -1 0 513.553 6.066 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409373022 1072643498 /nfs/dbraw/zinc/64/34/98/1072643498.db2.gz PLEYOLXKUQKHID-CAOOACKPSA-N -1 0 550.192 5.590 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OC ZINC000409147998 1072644847 /nfs/dbraw/zinc/64/48/47/1072644847.db2.gz XOVQMXKMZDDALC-AFUMVMLFSA-N -1 0 619.501 7.185 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409372250 1072645947 /nfs/dbraw/zinc/64/59/47/1072645947.db2.gz YKDACEZUPJIGCN-YDZHTSKRSA-N -1 0 534.468 6.390 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409147722 1072647499 /nfs/dbraw/zinc/64/74/99/1072647499.db2.gz VVSIAFQPMBJPDL-YDZHTSKRSA-N -1 0 613.494 6.431 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409371585 1072649116 /nfs/dbraw/zinc/64/91/16/1072649116.db2.gz XISBDRIQJUWTIC-CIAFOILYSA-N -1 0 525.001 5.460 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 ZINC000409147480 1072650036 /nfs/dbraw/zinc/65/00/36/1072650036.db2.gz YIKIBXMMFINLTJ-WSDLNYQXSA-N -1 0 548.824 5.768 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409370232 1072655397 /nfs/dbraw/zinc/65/53/97/1072655397.db2.gz NGMQTSUOPIWRLO-MOSHPQCFSA-N -1 0 670.488 5.468 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409369748 1072656794 /nfs/dbraw/zinc/65/67/94/1072656794.db2.gz FXFNODOCVCVTHG-XDHOZWIPSA-N -1 0 628.863 5.194 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)[N-]C2=S)cc1 ZINC000409369720 1072657961 /nfs/dbraw/zinc/65/79/61/1072657961.db2.gz FGOIUONPTGXWQS-FYJGNVAPSA-N -1 0 511.430 5.966 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409369320 1072659130 /nfs/dbraw/zinc/65/91/30/1072659130.db2.gz AVJBUGHXSBOFSZ-WQRHYEAKSA-N -1 0 616.827 5.324 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409378694 1072674109 /nfs/dbraw/zinc/67/41/09/1072674109.db2.gz RQGLVEATURLZJR-CIAFOILYSA-N -1 0 541.456 5.975 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409378624 1072675671 /nfs/dbraw/zinc/67/56/71/1072675671.db2.gz QNPGPXXPICGXMQ-WGOQTCKBSA-N -1 0 615.549 6.974 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409378441 1072676317 /nfs/dbraw/zinc/67/63/17/1072676317.db2.gz PFVBBRBEWSNRIQ-YZSQISJMSA-N -1 0 571.496 6.575 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccccc1F ZINC000409377768 1072678391 /nfs/dbraw/zinc/67/83/91/1072678391.db2.gz KNWMUJGHMLIXLJ-GZTJUZNOSA-N -1 0 617.225 5.035 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1OCC ZINC000409377669 1072678929 /nfs/dbraw/zinc/67/89/29/1072678929.db2.gz KEGKCBGGXKJUNQ-PXLXIMEGSA-N -1 0 696.551 5.728 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409377498 1072679531 /nfs/dbraw/zinc/67/95/31/1072679531.db2.gz IUKSCMUCOBTIPF-SRZZPIQSSA-N -1 0 681.379 6.969 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1OCC ZINC000409387067 1072683587 /nfs/dbraw/zinc/68/35/87/1072683587.db2.gz NMISFSWIAHGVSV-XSFVSMFZSA-N -1 0 596.011 5.351 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409386425 1072686626 /nfs/dbraw/zinc/68/66/26/1072686626.db2.gz NKVYQWIVSWYHBA-CIAFOILYSA-N -1 0 596.459 5.339 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409386209 1072689184 /nfs/dbraw/zinc/68/91/84/1072689184.db2.gz LQMOIOWOXUWUHA-SWKFRHMKSA-N -1 0 553.687 7.205 40 10 KKCBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409385788 1072692092 /nfs/dbraw/zinc/69/20/92/1072692092.db2.gz KHERTJZMHYUISB-KAQJVSAMSA-N -1 0 513.830 5.664 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409384558 1072697971 /nfs/dbraw/zinc/69/79/71/1072697971.db2.gz DAUOWYAJANCEPZ-CIAFOILYSA-N -1 0 569.452 5.570 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409383686 1072701355 /nfs/dbraw/zinc/70/13/55/1072701355.db2.gz ZTUVIHIEXCRQEU-QRQIAZFYSA-N -1 0 700.542 6.119 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)cc1 ZINC000409383381 1072702791 /nfs/dbraw/zinc/70/27/91/1072702791.db2.gz XBXMWHLJYVFOJM-ODLFYWEKSA-N -1 0 628.863 5.112 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409383382 1072702837 /nfs/dbraw/zinc/70/28/37/1072702837.db2.gz XCDSIPVVTLQYNA-NDENLUEZSA-N -1 0 642.890 5.502 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4OC)C3=O)c2-c2ccccc2)cc1 ZINC000409166450 1072704503 /nfs/dbraw/zinc/70/45/03/1072704503.db2.gz FYDKHIGOSRCACW-IADYIPOJSA-N -1 0 627.722 6.828 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409382436 1072706408 /nfs/dbraw/zinc/70/64/08/1072706408.db2.gz MTLIGZDAAJHASO-RQZCQDPDSA-N -1 0 572.376 5.133 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409381418 1072711134 /nfs/dbraw/zinc/71/11/34/1072711134.db2.gz MBZJJEUVRSDNPQ-PCLIKHOPSA-N -1 0 571.496 6.575 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000409381073 1072714463 /nfs/dbraw/zinc/71/44/63/1072714463.db2.gz RNTJDBWTUQFCNR-LPYMAVHISA-N -1 0 691.385 6.425 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000409380716 1072716031 /nfs/dbraw/zinc/71/60/31/1072716031.db2.gz BRHHBVJMUXSJKF-HZHRSRAPSA-N -1 0 521.436 5.422 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409380730 1072716439 /nfs/dbraw/zinc/71/64/39/1072716439.db2.gz CENCRSKOUOKQJL-BUVRLJJBSA-N -1 0 696.551 5.728 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409379945 1072721371 /nfs/dbraw/zinc/72/13/71/1072721371.db2.gz CWHGQOBGGKJAEI-LPYMAVHISA-N -1 0 599.934 6.474 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409379746 1072721760 /nfs/dbraw/zinc/72/17/60/1072721760.db2.gz ZBPHHTCBYKARRC-YBFXNURJSA-N -1 0 642.890 5.502 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409388251 1072739487 /nfs/dbraw/zinc/73/94/87/1072739487.db2.gz TVNZUAUGQOBTID-UDWIEESQSA-N -1 0 525.001 5.460 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409388046 1072739906 /nfs/dbraw/zinc/73/99/06/1072739906.db2.gz SXXHZTFIQQUGPN-SXGWCWSVSA-N -1 0 606.821 5.869 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)cc1 ZINC000409400515 1072745727 /nfs/dbraw/zinc/74/57/27/1072745727.db2.gz SGZGGHMKEOISOJ-UNOMPAQXSA-N -1 0 606.698 6.304 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409400094 1072747169 /nfs/dbraw/zinc/74/71/69/1072747169.db2.gz OSMWGBMKFPTXSE-UNOMPAQXSA-N -1 0 649.723 5.743 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409399813 1072747688 /nfs/dbraw/zinc/74/76/88/1072747688.db2.gz MYFFQMXSFPJHDF-ZDLGFXPLSA-N -1 0 546.190 5.391 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2Br)c(Br)c1 ZINC000409399853 1072747766 /nfs/dbraw/zinc/74/77/66/1072747766.db2.gz NYEJIJCJFASKQL-IUXPMGMMSA-N -1 0 641.541 6.668 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1F ZINC000409399642 1072748714 /nfs/dbraw/zinc/74/87/14/1072748714.db2.gz LBXJEFOWZONQFA-BOPFTXTBSA-N -1 0 576.216 5.400 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br ZINC000409399711 1072748741 /nfs/dbraw/zinc/74/87/41/1072748741.db2.gz MAWAQJVUORGCBK-WQRHYEAKSA-N -1 0 573.197 5.160 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(F)cc1 ZINC000409399534 1072749033 /nfs/dbraw/zinc/74/90/33/1072749033.db2.gz JJOZTKVTOCILIP-UNOMPAQXSA-N -1 0 545.792 5.681 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1F ZINC000409398510 1072751971 /nfs/dbraw/zinc/75/19/71/1072751971.db2.gz BRZHWIQXYOBADW-BOPFTXTBSA-N -1 0 531.765 5.291 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000409398390 1072752938 /nfs/dbraw/zinc/75/29/38/1072752938.db2.gz AHYYTTIXHJWELI-ZDLGFXPLSA-N -1 0 573.197 5.160 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1Br ZINC000409398386 1072752970 /nfs/dbraw/zinc/75/29/70/1072752970.db2.gz AGCLAKWTGASROF-GRSHGNNSSA-N -1 0 588.252 5.269 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl ZINC000409401367 1072753996 /nfs/dbraw/zinc/75/39/96/1072753996.db2.gz XJACJCCOBSJZLJ-GRSHGNNSSA-N -1 0 528.348 5.341 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409407124 1072754309 /nfs/dbraw/zinc/75/43/09/1072754309.db2.gz KXKFJRHWKCOBID-WQRHYEAKSA-N -1 0 513.775 5.152 40 10 KKCBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409407210 1072754849 /nfs/dbraw/zinc/75/48/49/1072754849.db2.gz LTZMSMCTNUHHEC-NDENLUEZSA-N -1 0 513.775 5.152 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000409186622 1072761755 /nfs/dbraw/zinc/76/17/55/1072761755.db2.gz FQRILFNYVSBFIT-LPYMAVHISA-N -1 0 600.332 6.184 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186156 1072764098 /nfs/dbraw/zinc/76/40/98/1072764098.db2.gz XUBXPUQVWSSRGF-OWCUVECOSA-N -1 0 643.769 5.962 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186189 1072764479 /nfs/dbraw/zinc/76/44/79/1072764479.db2.gz YKNJKFQGDCFXHY-ISMPAJQOSA-N -1 0 776.709 8.120 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185109 1072772058 /nfs/dbraw/zinc/77/20/58/1072772058.db2.gz JHKGUEYAENSHIE-GGVRFBKHSA-N -1 0 815.471 6.995 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185176 1072773186 /nfs/dbraw/zinc/77/31/86/1072773186.db2.gz KBMXTOHSAFDZER-VRKORRMZSA-N -1 0 721.471 7.310 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183311 1072783485 /nfs/dbraw/zinc/78/34/85/1072783485.db2.gz RKAKEAIDESGBGK-DKDMBQFYSA-N -1 0 806.735 8.128 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183232 1072785411 /nfs/dbraw/zinc/78/54/11/1072785411.db2.gz AZXBDJHGHJFRKS-DGWBYFALSA-N -1 0 820.762 8.518 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000409409927 1072807698 /nfs/dbraw/zinc/80/76/98/1072807698.db2.gz RYDOZIYACZGEFU-WOJGMQOQSA-N -1 0 576.628 5.546 40 10 KKCBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409408929 1072813178 /nfs/dbraw/zinc/81/31/78/1072813178.db2.gz SDHSUWLFWQSHOE-WQRHYEAKSA-N -1 0 503.769 5.696 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1OCC ZINC000409195958 1072834362 /nfs/dbraw/zinc/83/43/62/1072834362.db2.gz XJMXPYYSTNQJJD-XQNSMLJCSA-N -1 0 611.464 6.017 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409195661 1072836314 /nfs/dbraw/zinc/83/63/14/1072836314.db2.gz UXBFNFPPYBHAAN-ZVHZXABRSA-N -1 0 718.972 6.772 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409194538 1072841613 /nfs/dbraw/zinc/84/16/13/1072841613.db2.gz OWBKLWBQTZHRDJ-YDZHTSKRSA-N -1 0 597.495 6.730 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409192583 1072855081 /nfs/dbraw/zinc/85/50/81/1072855081.db2.gz FEVUUEQJWZSANO-PCLIKHOPSA-N -1 0 576.621 5.653 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OCC ZINC000409191480 1072861552 /nfs/dbraw/zinc/86/15/52/1072861552.db2.gz IKCOVWFRBWTMQE-WPWMEQJKSA-N -1 0 643.534 7.031 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1OCC ZINC000409191329 1072862491 /nfs/dbraw/zinc/86/24/91/1072862491.db2.gz VRTGTWXKAHQAAB-VUTHCHCSSA-N -1 0 564.638 6.268 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409191157 1072865211 /nfs/dbraw/zinc/86/52/11/1072865211.db2.gz TXZISTAUMUEWEJ-HYARGMPZSA-N -1 0 627.919 6.531 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1 ZINC000409190834 1072867622 /nfs/dbraw/zinc/86/76/22/1072867622.db2.gz WRROORALACTOOD-UDWIEESQSA-N -1 0 514.434 5.631 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190673 1072868104 /nfs/dbraw/zinc/86/81/04/1072868104.db2.gz PHLJRIAYIKJKEZ-KOEQRZSOSA-N -1 0 622.696 5.011 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OCC ZINC000409190320 1072869413 /nfs/dbraw/zinc/86/94/13/1072869413.db2.gz WSXQXZMBGHDVTD-CVKSISIWSA-N -1 0 722.430 7.793 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1OCC ZINC000409190164 1072870948 /nfs/dbraw/zinc/87/09/48/1072870948.db2.gz LTNHWHPQARNCMR-HZHRSRAPSA-N -1 0 583.468 6.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409189572 1072874428 /nfs/dbraw/zinc/87/44/28/1072874428.db2.gz QQIWWUPJENFCQB-OEAKJJBVSA-N -1 0 662.364 7.184 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409189426 1072875477 /nfs/dbraw/zinc/87/54/77/1072875477.db2.gz GLTQVRCEJGBSAF-OEAKJJBVSA-N -1 0 671.972 6.930 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409189541 1072876327 /nfs/dbraw/zinc/87/63/27/1072876327.db2.gz HRKYSUKZWZAEMI-DEDYPNTBSA-N -1 0 636.483 5.328 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189256 1072878431 /nfs/dbraw/zinc/87/84/31/1072878431.db2.gz NZYZIFWVCNNYRH-ZVHZXABRSA-N -1 0 702.517 6.258 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C2=O)cc1OCC ZINC000409189260 1072878496 /nfs/dbraw/zinc/87/84/96/1072878496.db2.gz OAZJYZLMGWYCLY-CXUHLZMHSA-N -1 0 596.272 5.070 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409188915 1072880042 /nfs/dbraw/zinc/88/00/42/1072880042.db2.gz KLIUJTUVSRZEMW-OEAKJJBVSA-N -1 0 628.465 6.330 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409188957 1072880609 /nfs/dbraw/zinc/88/06/09/1072880609.db2.gz LLPFWEZAWIREEX-HYARGMPZSA-N -1 0 667.951 6.264 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409188608 1072881592 /nfs/dbraw/zinc/88/15/92/1072881592.db2.gz FLQNKROOWCOUIL-BUVRLJJBSA-N -1 0 579.049 5.777 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4ccccc4c3)C2=O)c1C ZINC000409207278 1072886670 /nfs/dbraw/zinc/88/66/70/1072886670.db2.gz QZMQIBNCAKCVQM-UCQKPKSFSA-N -1 0 527.602 5.379 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409226330 1072975099 /nfs/dbraw/zinc/97/50/99/1072975099.db2.gz NACBJQYJMQRXAQ-WSDLNYQXSA-N -1 0 523.511 5.679 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409226174 1072976172 /nfs/dbraw/zinc/97/61/72/1072976172.db2.gz SPIFKMWTSHZCPQ-LPYMAVHISA-N -1 0 733.943 5.825 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409225447 1072978821 /nfs/dbraw/zinc/97/88/21/1072978821.db2.gz PVCWRAKCCOOKSV-FYJGNVAPSA-N -1 0 554.386 5.076 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225142 1072980370 /nfs/dbraw/zinc/98/03/70/1072980370.db2.gz OWGZANDFIIPULN-WSDLNYQXSA-N -1 0 626.891 5.802 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409224360 1072983344 /nfs/dbraw/zinc/98/33/44/1072983344.db2.gz JFTJTUJGGKLEFJ-VXLYETTFSA-N -1 0 691.716 5.336 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409224136 1072985448 /nfs/dbraw/zinc/98/54/48/1072985448.db2.gz IVXULBOQHSRUAN-VCHYOVAHSA-N -1 0 633.680 5.549 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409223278 1072989223 /nfs/dbraw/zinc/98/92/23/1072989223.db2.gz FCBPJJJLVFQZOC-GIJQJNRQSA-N -1 0 502.398 5.680 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222669 1072992235 /nfs/dbraw/zinc/99/22/35/1072992235.db2.gz DAUAEVNHOCRWRO-GIJQJNRQSA-N -1 0 623.276 6.383 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409222558 1072993387 /nfs/dbraw/zinc/99/33/87/1072993387.db2.gz FAAHZXLHYYDAEM-WGOQTCKBSA-N -1 0 660.908 6.365 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409221798 1072997488 /nfs/dbraw/zinc/99/74/88/1072997488.db2.gz BBVRRBOCUDHTEA-WPWMEQJKSA-N -1 0 660.908 6.365 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000409221067 1073001303 /nfs/dbraw/zinc/00/13/03/1073001303.db2.gz KIVRQCSOFGZDAO-YDZHTSKRSA-N -1 0 543.048 5.382 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409220590 1073003902 /nfs/dbraw/zinc/00/39/02/1073003902.db2.gz BVBNPDKMDCVREB-KEBDBYFISA-N -1 0 508.987 5.104 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409220257 1073004989 /nfs/dbraw/zinc/00/49/89/1073004989.db2.gz VOKOEWMGOGASOG-XDHOZWIPSA-N -1 0 558.805 5.639 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409219970 1073006353 /nfs/dbraw/zinc/00/63/53/1073006353.db2.gz SDDXGCSPYCMULK-LPYMAVHISA-N -1 0 642.492 5.873 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409219803 1073006742 /nfs/dbraw/zinc/00/67/42/1073006742.db2.gz UZBPCIOVYCDBBS-MTDXEUNCSA-N -1 0 582.012 5.603 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 ZINC000409219351 1073009787 /nfs/dbraw/zinc/00/97/87/1073009787.db2.gz LLWSFANPNJJFHN-VXLYETTFSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409219148 1073010347 /nfs/dbraw/zinc/01/03/47/1073010347.db2.gz JLQMCMVEUJUPGA-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409219052 1073010840 /nfs/dbraw/zinc/01/08/40/1073010840.db2.gz IMDOYOFJGSHLSY-YDZHTSKRSA-N -1 0 562.022 5.348 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409218357 1073012676 /nfs/dbraw/zinc/01/26/76/1073012676.db2.gz IICHYJXITHGCFS-TURZUDJPSA-N -1 0 561.594 5.258 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409218239 1073013018 /nfs/dbraw/zinc/01/30/18/1073013018.db2.gz DQXVLKICZZRWRG-RGVLZGJSSA-N -1 0 558.805 5.639 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409218004 1073014450 /nfs/dbraw/zinc/01/44/50/1073014450.db2.gz CBHIRHJVCLFAKX-WSDLNYQXSA-N -1 0 592.446 5.067 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409228735 1073025325 /nfs/dbraw/zinc/02/53/25/1073025325.db2.gz DKJKMARCAJIRDX-HYARGMPZSA-N -1 0 618.027 6.188 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409228099 1073029433 /nfs/dbraw/zinc/02/94/33/1073029433.db2.gz UCOXPTMPBDPTPP-FYJGNVAPSA-N -1 0 547.398 5.562 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409227629 1073031078 /nfs/dbraw/zinc/03/10/78/1073031078.db2.gz RASUPWKTZNJJNW-ZMOGYAJESA-N -1 0 588.045 5.983 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000409227438 1073031577 /nfs/dbraw/zinc/03/15/77/1073031577.db2.gz YQHIHIDOXKYZEW-OEAKJJBVSA-N -1 0 669.472 5.081 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1 ZINC000409227423 1073031720 /nfs/dbraw/zinc/03/17/20/1073031720.db2.gz ZXLPKTGVPWWGRO-VCHYOVAHSA-N -1 0 661.734 6.166 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409236541 1073038902 /nfs/dbraw/zinc/03/89/02/1073038902.db2.gz RVYWCPJYDIGZKS-OVVQPSECSA-N -1 0 514.695 5.895 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409235706 1073042383 /nfs/dbraw/zinc/04/23/83/1073042383.db2.gz DBWBVRKIPXQUFZ-XHPQRKPJSA-N -1 0 594.523 7.949 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409231872 1073063761 /nfs/dbraw/zinc/06/37/61/1073063761.db2.gz LGXKZRYGDAMOFJ-CIAFOILYSA-N -1 0 539.966 6.193 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409246377 1073076600 /nfs/dbraw/zinc/07/66/00/1073076600.db2.gz HKWYULDZTMKONQ-YBFXNURJSA-N -1 0 517.960 5.906 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O ZINC000409244652 1073087345 /nfs/dbraw/zinc/08/73/45/1073087345.db2.gz GVUIBYACPHXMRO-LFIBNONCSA-N -1 0 547.814 5.912 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCC ZINC000409244332 1073088325 /nfs/dbraw/zinc/08/83/25/1073088325.db2.gz BCNSIMBWGFIVOD-WOJGMQOQSA-N -1 0 517.445 5.201 40 10 KKCBRM CC(C)(C)c1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(C(C)(C)C)c1O ZINC000409244396 1073088837 /nfs/dbraw/zinc/08/88/37/1073088837.db2.gz BXFCRWTYOWITTH-LICLKQGHSA-N -1 0 504.574 5.837 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409244070 1073089932 /nfs/dbraw/zinc/08/99/32/1073089932.db2.gz XAANCDVSDQCSQG-CJLVFECKSA-N -1 0 507.059 5.425 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409244084 1073090173 /nfs/dbraw/zinc/09/01/73/1073090173.db2.gz XJIADUJCLALPAV-GDNBJRDFSA-N -1 0 530.718 5.246 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409242044 1073098615 /nfs/dbraw/zinc/09/86/15/1073098615.db2.gz PWFBMRIGJYAOSK-HAVVHWLPSA-N -1 0 615.180 6.771 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=S ZINC000409241793 1073100361 /nfs/dbraw/zinc/10/03/61/1073100361.db2.gz UVYJQFPJTDQUMF-FMQZQXMHSA-N -1 0 590.304 5.449 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409239511 1073112880 /nfs/dbraw/zinc/11/28/80/1073112880.db2.gz NKHZZGUSDMKXQM-JAIQZWGSSA-N -1 0 528.859 5.650 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409239498 1073114970 /nfs/dbraw/zinc/11/49/70/1073114970.db2.gz NIJPMUQPCYRWPR-ZMOGYAJESA-N -1 0 607.570 6.040 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409239053 1073116844 /nfs/dbraw/zinc/11/68/44/1073116844.db2.gz FYCRUJWBNHRKKJ-UZUMKDMXSA-N -1 0 501.446 5.581 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409238549 1073119330 /nfs/dbraw/zinc/11/93/30/1073119330.db2.gz DVPLXLAGTDPPML-GDNBJRDFSA-N -1 0 511.308 6.104 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000409251094 1073130515 /nfs/dbraw/zinc/13/05/15/1073130515.db2.gz OHXQYFSOBHBGHW-KEBDBYFISA-N -1 0 628.863 5.112 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409250503 1073134852 /nfs/dbraw/zinc/13/48/52/1073134852.db2.gz MOXQREKOSSYDEP-KEBDBYFISA-N -1 0 626.891 5.720 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 ZINC000409250492 1073134887 /nfs/dbraw/zinc/13/48/87/1073134887.db2.gz MMFMETYXZVVZBH-VEILYXNESA-N -1 0 610.066 6.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409250389 1073136021 /nfs/dbraw/zinc/13/60/21/1073136021.db2.gz KTXPTGLUIMFOAI-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409249870 1073138553 /nfs/dbraw/zinc/13/85/53/1073138553.db2.gz IXWDOFPIGNOZMJ-FMCGGJTJSA-N -1 0 562.022 5.266 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409249991 1073139102 /nfs/dbraw/zinc/13/91/02/1073139102.db2.gz KTSZEIKYRHCARF-ZDLGFXPLSA-N -1 0 647.309 6.147 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409247683 1073152169 /nfs/dbraw/zinc/15/21/69/1073152169.db2.gz AHTNLUMIIJLBRV-XKZIYDEJSA-N -1 0 653.473 5.299 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1OCC ZINC000409247955 1073152195 /nfs/dbraw/zinc/15/21/95/1073152195.db2.gz FGYRDVXBFGBFQL-XQNSMLJCSA-N -1 0 636.499 5.629 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)cc1Cl ZINC000409247758 1073152618 /nfs/dbraw/zinc/15/26/18/1073152618.db2.gz AZPSSBDOOGNYGL-VXLYETTFSA-N -1 0 647.707 5.857 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409247774 1073153018 /nfs/dbraw/zinc/15/30/18/1073153018.db2.gz NTOZZFJTLOCBBO-UFFVCSGVSA-N -1 0 574.411 6.847 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409247587 1073153346 /nfs/dbraw/zinc/15/33/46/1073153346.db2.gz DKVHOYBJQDQUJH-NTEUORMPSA-N -1 0 554.274 6.331 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409247474 1073154546 /nfs/dbraw/zinc/15/45/46/1073154546.db2.gz CKSOITTXDFLAJX-JMIUGGIZSA-N -1 0 584.412 5.090 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409255366 1073156700 /nfs/dbraw/zinc/15/67/00/1073156700.db2.gz HMGRDTUICXGRJI-KEBDBYFISA-N -1 0 582.440 5.611 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000409256759 1073159468 /nfs/dbraw/zinc/15/94/68/1073159468.db2.gz PRMHRYCKEAJLCN-NDENLUEZSA-N -1 0 627.289 5.512 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409256817 1073159776 /nfs/dbraw/zinc/15/97/76/1073159776.db2.gz QDOWPVBHTMPWBW-YDZHTSKRSA-N -1 0 562.022 5.348 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409256064 1073163430 /nfs/dbraw/zinc/16/34/30/1073163430.db2.gz JMYCYVLWRTUPRF-UWVJOHFNSA-N -1 0 643.834 5.012 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1Cl ZINC000409255996 1073164957 /nfs/dbraw/zinc/16/49/57/1073164957.db2.gz NCNBEFSBEPCHKE-LSCVHKIXSA-N -1 0 603.802 5.547 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409255177 1073168169 /nfs/dbraw/zinc/16/81/69/1073168169.db2.gz GLCZNNNEKADNNQ-YBEGLDIGSA-N -1 0 544.778 5.331 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409255261 1073168642 /nfs/dbraw/zinc/16/86/42/1073168642.db2.gz GUUKEJZAHUMGMC-UNOMPAQXSA-N -1 0 626.891 5.802 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000409255086 1073169133 /nfs/dbraw/zinc/16/91/33/1073169133.db2.gz HBDQOBDSQKJUFO-FYJGNVAPSA-N -1 0 657.315 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409254702 1073170031 /nfs/dbraw/zinc/17/00/31/1073170031.db2.gz FDNUQYNXQKFVGF-BUVRLJJBSA-N -1 0 650.128 6.227 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S ZINC000409254743 1073170510 /nfs/dbraw/zinc/17/05/10/1073170510.db2.gz FJKWOWVSFKDZRS-MFOYZWKCSA-N -1 0 544.960 5.052 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409254813 1073170891 /nfs/dbraw/zinc/17/08/91/1073170891.db2.gz IUNVNJAXQXXUDD-YDZHTSKRSA-N -1 0 622.472 5.157 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1C ZINC000409253982 1073176551 /nfs/dbraw/zinc/17/65/51/1073176551.db2.gz HGTOJUYUROVLQZ-JAIQZWGSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000409254039 1073177156 /nfs/dbraw/zinc/17/71/56/1073177156.db2.gz HKCIZBDKUNGDND-YDZHTSKRSA-N -1 0 671.342 5.911 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1OC ZINC000409253943 1073178526 /nfs/dbraw/zinc/17/85/26/1073178526.db2.gz VZXOUANAAUICOF-MTJSOVHGSA-N -1 0 626.493 6.092 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c(C)c1 ZINC000409253777 1073179627 /nfs/dbraw/zinc/17/96/27/1073179627.db2.gz CBAGJQGGWFEDSB-UDWIEESQSA-N -1 0 627.289 5.512 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409252783 1073186106 /nfs/dbraw/zinc/18/61/06/1073186106.db2.gz TUSOSJHJPWYVBE-PXNMLYILSA-N -1 0 579.223 5.984 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409252460 1073187887 /nfs/dbraw/zinc/18/78/87/1073187887.db2.gz BUZHKKAPPLVTBZ-KEBDBYFISA-N -1 0 582.440 5.611 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000409251987 1073190019 /nfs/dbraw/zinc/19/00/19/1073190019.db2.gz RCOLBHPWXLYDIG-UDWIEESQSA-N -1 0 554.386 5.076 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1OC ZINC000409251955 1073190041 /nfs/dbraw/zinc/19/00/41/1073190041.db2.gz APMXTKLTNASIPE-BKUYFWCQSA-N -1 0 608.047 5.138 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409252051 1073190440 /nfs/dbraw/zinc/19/04/40/1073190440.db2.gz BLCVGDPHWVXMBH-QNGOZBTKSA-N -1 0 608.047 5.220 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000409251779 1073190498 /nfs/dbraw/zinc/19/04/98/1073190498.db2.gz BNAXACQGRUOHOZ-UDWIEESQSA-N -1 0 627.289 5.512 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409251523 1073192718 /nfs/dbraw/zinc/19/27/18/1073192718.db2.gz QYEKCRVQHZQGNN-BUVRLJJBSA-N -1 0 694.579 6.336 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409265254 1073194388 /nfs/dbraw/zinc/19/43/88/1073194388.db2.gz TZIOJCGKAKTWKB-JAIQZWGSSA-N -1 0 658.259 5.112 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409265235 1073194425 /nfs/dbraw/zinc/19/44/25/1073194425.db2.gz TWIZUUPEIWRNME-VXLYETTFSA-N -1 0 647.707 5.857 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409265290 1073194892 /nfs/dbraw/zinc/19/48/92/1073194892.db2.gz RVXGHOIRDUBBOK-SRZZPIQSSA-N -1 0 673.891 5.644 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409262911 1073195248 /nfs/dbraw/zinc/19/52/48/1073195248.db2.gz GFIJESRDARCJPP-GRSHGNNSSA-N -1 0 661.336 6.455 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409262972 1073195785 /nfs/dbraw/zinc/19/57/85/1073195785.db2.gz GKPPKBXNKWSNND-UFFVCSGVSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409266810 1073198445 /nfs/dbraw/zinc/19/84/45/1073198445.db2.gz LEBOGUJDNXHYHY-YUMHPJSZSA-N -1 0 674.935 6.674 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1C ZINC000409266882 1073198808 /nfs/dbraw/zinc/19/88/08/1073198808.db2.gz LOCLQWMMXWEZNT-BKUYFWCQSA-N -1 0 562.420 5.058 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409266684 1073199707 /nfs/dbraw/zinc/19/97/07/1073199707.db2.gz RCJNJUYJROOBNV-JAIQZWGSSA-N -1 0 568.413 5.303 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1OC ZINC000409266603 1073201117 /nfs/dbraw/zinc/20/11/17/1073201117.db2.gz QJCVSMLCRMRNHG-UCQKPKSFSA-N -1 0 592.048 5.438 40 10 KKCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000008763377 1073202653 /nfs/dbraw/zinc/20/26/53/1073202653.db2.gz VAOOLCNZPJSLCU-MVDPLZLPSA-N -1 0 500.941 5.535 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409266278 1073202757 /nfs/dbraw/zinc/20/27/57/1073202757.db2.gz QFLVUJQRNQINOL-WOJGMQOQSA-N -1 0 633.282 5.839 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409266137 1073203684 /nfs/dbraw/zinc/20/36/84/1073203684.db2.gz OWYXINQTXGIPDD-CIAFOILYSA-N -1 0 718.342 5.753 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409266170 1073204005 /nfs/dbraw/zinc/20/40/05/1073204005.db2.gz PQFVZNDVNYAAAD-SSDVNMTOSA-N -1 0 582.440 5.693 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409265936 1073204447 /nfs/dbraw/zinc/20/44/47/1073204447.db2.gz WZEVOXZNBDYDQP-BUVRLJJBSA-N -1 0 694.579 6.336 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1C ZINC000409265820 1073204810 /nfs/dbraw/zinc/20/48/10/1073204810.db2.gz VUGBYUHXPQGTEA-CIAFOILYSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1C ZINC000409265711 1073205595 /nfs/dbraw/zinc/20/55/95/1073205595.db2.gz ODEISOJOQPJMDS-AWQFTUOYSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1Cl ZINC000409265770 1073206184 /nfs/dbraw/zinc/20/61/84/1073206184.db2.gz OWLZIVVMDOBGLY-CIAFOILYSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409264965 1073209295 /nfs/dbraw/zinc/20/92/95/1073209295.db2.gz HHCMCAMULQNZPL-LZYBPNLTSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c(C)c1 ZINC000409265051 1073210007 /nfs/dbraw/zinc/21/00/07/1073210007.db2.gz MKEVIQGCMUOYEB-OCKHKDLRSA-N -1 0 583.384 5.202 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OCC ZINC000409264647 1073210881 /nfs/dbraw/zinc/21/08/81/1073210881.db2.gz QPKQEOBRTGKGRI-LFVJCYFKSA-N -1 0 601.656 5.183 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409264339 1073212344 /nfs/dbraw/zinc/21/23/44/1073212344.db2.gz DRWNXFFXPVWFBE-MYYYXRDXSA-N -1 0 719.386 6.783 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c1 ZINC000409264351 1073212458 /nfs/dbraw/zinc/21/24/58/1073212458.db2.gz DUYVHOIHARUYMW-YSMPRRRNSA-N -1 0 630.484 6.565 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)C2=O)cc1OC ZINC000409264279 1073213661 /nfs/dbraw/zinc/21/36/61/1073213661.db2.gz OHNRUKPNRUAPTR-UCQKPKSFSA-N -1 0 578.021 5.130 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409263316 1073218187 /nfs/dbraw/zinc/21/81/87/1073218187.db2.gz MBUFJDLWNZVMOO-NDENLUEZSA-N -1 0 687.341 5.693 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1Cl ZINC000409263266 1073219173 /nfs/dbraw/zinc/21/91/73/1073219173.db2.gz IMWMSUKBXSJEPJ-GRSHGNNSSA-N -1 0 558.805 5.639 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC ZINC000409263073 1073219621 /nfs/dbraw/zinc/21/96/21/1073219621.db2.gz GTWLUSADLJUEKN-XKZIYDEJSA-N -1 0 715.395 6.310 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1C ZINC000409262750 1073219984 /nfs/dbraw/zinc/21/99/84/1073219984.db2.gz GXLQORYPVITMHS-RGVLZGJSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409262699 1073221546 /nfs/dbraw/zinc/22/15/46/1073221546.db2.gz IQQDVVLLGBSVEY-KEBDBYFISA-N -1 0 691.760 6.256 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409262356 1073222230 /nfs/dbraw/zinc/22/22/30/1073222230.db2.gz IALCJIQPBFQDPL-FYJGNVAPSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409262329 1073222356 /nfs/dbraw/zinc/22/23/56/1073222356.db2.gz GUOTZNUQHFZMOH-JAIQZWGSSA-N -1 0 582.440 5.611 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1Cl ZINC000409262156 1073223129 /nfs/dbraw/zinc/22/31/29/1073223129.db2.gz FPAIKCNMSALTGO-NVMNQCDNSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000409261769 1073225753 /nfs/dbraw/zinc/22/57/53/1073225753.db2.gz AYTIRVPBBMRLSJ-ODLFYWEKSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C ZINC000409261271 1073227720 /nfs/dbraw/zinc/22/77/20/1073227720.db2.gz CDSMTXZYTABGND-UFFVCSGVSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1C ZINC000409261072 1073230392 /nfs/dbraw/zinc/23/03/92/1073230392.db2.gz AWCLDIDXEMJVHB-MTJSOVHGSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000409260947 1073231140 /nfs/dbraw/zinc/23/11/40/1073231140.db2.gz YWWSIKHVZBXQDG-ODLFYWEKSA-N -1 0 572.832 5.948 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409260750 1073231926 /nfs/dbraw/zinc/23/19/26/1073231926.db2.gz VSONWOAIHGUTQK-HMAPJEAMSA-N -1 0 578.021 5.130 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409260595 1073233100 /nfs/dbraw/zinc/23/31/00/1073233100.db2.gz SPLWHXGFFITNOI-XDHOZWIPSA-N -1 0 677.733 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409259852 1073236960 /nfs/dbraw/zinc/23/69/60/1073236960.db2.gz GPUOQVAUZRIVQY-DJKKODMXSA-N -1 0 726.603 6.620 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1Cl ZINC000409259929 1073237510 /nfs/dbraw/zinc/23/75/10/1073237510.db2.gz HXEOCTNUWWDLOS-LICLKQGHSA-N -1 0 651.670 5.688 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)c1C ZINC000409258817 1073243147 /nfs/dbraw/zinc/24/31/47/1073243147.db2.gz XTBZBMFVCJJYRY-ODLFYWEKSA-N -1 0 627.289 5.512 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409258713 1073244198 /nfs/dbraw/zinc/24/41/98/1073244198.db2.gz ZKZNBPMCSLSBNE-BOPFTXTBSA-N -1 0 649.748 5.714 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409258366 1073245879 /nfs/dbraw/zinc/24/58/79/1073245879.db2.gz UTSNXXUHTKACAU-WOJGMQOQSA-N -1 0 677.733 5.948 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409258464 1073246234 /nfs/dbraw/zinc/24/62/34/1073246234.db2.gz XCSJXDYDURAZMS-XKZIYDEJSA-N -1 0 655.514 5.156 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1OC ZINC000409258243 1073246699 /nfs/dbraw/zinc/24/66/99/1073246699.db2.gz XGISZKATDARLAN-NDENLUEZSA-N -1 0 701.368 6.001 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000409257949 1073248401 /nfs/dbraw/zinc/24/84/01/1073248401.db2.gz VCBXWBJWCANZLB-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409257773 1073249275 /nfs/dbraw/zinc/24/92/75/1073249275.db2.gz SEMBVYFKWWOQFE-CIAFOILYSA-N -1 0 657.436 5.130 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)C2=O)cc1OCC ZINC000409257855 1073250086 /nfs/dbraw/zinc/25/00/86/1073250086.db2.gz QWROYMDUPMXMKZ-KOEQRZSOSA-N -1 0 571.630 5.175 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1 ZINC000409257540 1073251384 /nfs/dbraw/zinc/25/13/84/1073251384.db2.gz SQMLYWNEIVTPID-QQXSKIMKSA-N -1 0 705.359 6.475 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409257443 1073252604 /nfs/dbraw/zinc/25/26/04/1073252604.db2.gz OSQZJVJUUXYLHH-VEILYXNESA-N -1 0 654.517 6.329 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409257415 1073252619 /nfs/dbraw/zinc/25/26/19/1073252619.db2.gz QSQSIGWANORNCC-KEBDBYFISA-N -1 0 626.891 5.720 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000409272040 1073259600 /nfs/dbraw/zinc/25/96/00/1073259600.db2.gz XYOHVDHUPQCAIO-YBFXNURJSA-N -1 0 617.225 5.035 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1OCC ZINC000409271788 1073260111 /nfs/dbraw/zinc/26/01/11/1073260111.db2.gz NDTGCDQSSNFMDJ-OEAKJJBVSA-N -1 0 622.074 5.528 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1Cl ZINC000409271208 1073264482 /nfs/dbraw/zinc/26/44/82/1073264482.db2.gz KNHPMQXXUKGZFR-DJKKODMXSA-N -1 0 617.283 6.057 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409271395 1073264521 /nfs/dbraw/zinc/26/45/21/1073264521.db2.gz CIVFTVVAYBIJPX-YDZHTSKRSA-N -1 0 503.580 5.084 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409270828 1073266855 /nfs/dbraw/zinc/26/68/55/1073266855.db2.gz RKXZPVUBQLXKJD-RCCKNPSSSA-N -1 0 608.047 5.220 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409270169 1073271360 /nfs/dbraw/zinc/27/13/60/1073271360.db2.gz CSODIYJZKWVWOV-NVMNQCDNSA-N -1 0 694.309 5.907 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409269706 1073276087 /nfs/dbraw/zinc/27/60/87/1073276087.db2.gz LXEPMYMFKNRLPB-XDHOZWIPSA-N -1 0 554.386 5.076 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409269080 1073280565 /nfs/dbraw/zinc/28/05/65/1073280565.db2.gz DSGGVFFQEGSGDA-IWIPYMOSSA-N -1 0 541.604 5.003 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000409269134 1073280892 /nfs/dbraw/zinc/28/08/92/1073280892.db2.gz FUJSAWRZFCRAHP-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409268889 1073281252 /nfs/dbraw/zinc/28/12/52/1073281252.db2.gz ZEGZOWULSRHESS-LPYMAVHISA-N -1 0 735.813 6.736 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000409268511 1073284008 /nfs/dbraw/zinc/28/40/08/1073284008.db2.gz UWLGKOAMYFURDI-UUYOSTAYSA-N -1 0 596.865 5.712 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267826 1073287133 /nfs/dbraw/zinc/28/71/33/1073287133.db2.gz WMCIUQVFMKIVHR-JAIQZWGSSA-N -1 0 612.864 5.494 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409267751 1073287915 /nfs/dbraw/zinc/28/79/15/1073287915.db2.gz XLLPVFPJWHXCSO-HYARGMPZSA-N -1 0 608.047 5.220 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 ZINC000409267391 1073289453 /nfs/dbraw/zinc/28/94/53/1073289453.db2.gz VIZQPSCOMNWTMZ-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1C ZINC000409267343 1073290324 /nfs/dbraw/zinc/29/03/24/1073290324.db2.gz UYKMYLAMUSFHIL-JAIQZWGSSA-N -1 0 627.289 5.512 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409267532 1073290334 /nfs/dbraw/zinc/29/03/34/1073290334.db2.gz NIFQBGKOKVVKJO-BKUYFWCQSA-N -1 0 655.514 5.156 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)c1 ZINC000409275666 1073333357 /nfs/dbraw/zinc/33/33/57/1073333357.db2.gz LCSGBUDGUHGMIX-OCKHKDLRSA-N -1 0 518.881 5.251 40 10 KKCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000001783351 551698792 /nfs/dbraw/zinc/69/87/92/551698792.db2.gz VUUCWSLYWPGZAY-WCCCRJGXSA-N -1 0 574.905 6.709 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000002453261 552124181 /nfs/dbraw/zinc/12/41/81/552124181.db2.gz WLQOBKFXVXHMHL-XKZIYDEJSA-N -1 0 545.349 5.027 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Cc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000002783320 552189012 /nfs/dbraw/zinc/18/90/12/552189012.db2.gz VNPKWWQGADNCLN-WOJGMQOQSA-N -1 0 529.843 5.734 40 10 KKCBRM CC(=O)Nc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C=C2C(=O)N(c3ccccc3)N=C2c2ccc(NC(C)=O)cc2)cc1 ZINC000004266377 552454871 /nfs/dbraw/zinc/45/48/71/552454871.db2.gz GWGNTTBSFNSUDQ-LXXHRJRASA-N -1 0 596.647 5.348 40 10 KKCBRM CCN(Cc1ccccc1)c1ccc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)cc1 ZINC000004821932 552487858 /nfs/dbraw/zinc/48/78/58/552487858.db2.gz WZRQTXZBMCQTEL-JKWOPUAESA-N -1 0 555.638 9.615 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[N-]C1=S ZINC000009260148 553227969 /nfs/dbraw/zinc/22/79/69/553227969.db2.gz YJQIKHABRFZXLJ-UQQQWYQISA-N -1 0 517.610 5.683 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000014132693 553501631 /nfs/dbraw/zinc/50/16/31/553501631.db2.gz LGPBSOOKFZILKW-YBFXNURJSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000014133110 553501637 /nfs/dbraw/zinc/50/16/37/553501637.db2.gz UTQDPWPQZJKDKB-DEDYPNTBSA-N -1 0 509.331 5.142 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000014399569 553515277 /nfs/dbraw/zinc/51/52/77/553515277.db2.gz NUCBZIFVOJMUIZ-UHFFFAOYSA-N -1 0 527.042 5.253 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)c([N+](=O)[O-])cc1OCCC(C)C ZINC000016575174 553568306 /nfs/dbraw/zinc/56/83/06/553568306.db2.gz VGMASPWMYLGPTF-DEDYPNTBSA-N -1 0 503.511 5.688 40 10 KKCBRM CC(=Nc1ccccc1Sc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000020288283 553633048 /nfs/dbraw/zinc/63/30/48/553633048.db2.gz LFNDLUCGLDZQGU-OOAXWGSJSA-N -1 0 518.667 7.585 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000096462416 553754554 /nfs/dbraw/zinc/75/45/54/553754554.db2.gz UWEXRWGXYUTTNB-LDADJPATSA-N -1 0 504.262 5.765 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000028048157 553837421 /nfs/dbraw/zinc/83/74/21/553837421.db2.gz GNEQBDPJGSKODB-ZBDCHNAPSA-N -1 0 505.617 5.691 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=O)cc1 ZINC000097958743 553857315 /nfs/dbraw/zinc/85/73/15/553857315.db2.gz WCOXRCOQGCHIGK-XIEYBQDHSA-N -1 0 544.604 5.966 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCCOc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000097958986 553859402 /nfs/dbraw/zinc/85/94/02/553859402.db2.gz LOJXIFHJJFKDND-BWAHOGKJSA-N -1 0 593.474 6.720 40 10 KKCBRM CC(=O)Nc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 ZINC000097965018 553902249 /nfs/dbraw/zinc/90/22/49/553902249.db2.gz IOHPMOBDUXUVBN-XYGWBWBKSA-N -1 0 542.979 5.839 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000100115027 554222897 /nfs/dbraw/zinc/22/28/97/554222897.db2.gz ZKKPZPFAGZOMTK-NDENLUEZSA-N -1 0 590.215 5.128 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000100221078 554251747 /nfs/dbraw/zinc/25/17/47/554251747.db2.gz USCSOQWYYAMWJP-URFJJRPFSA-N -1 0 621.690 5.180 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c1 ZINC000100224873 554252633 /nfs/dbraw/zinc/25/26/33/554252633.db2.gz GPAKOWGPJQNVAS-WQRHYEAKSA-N -1 0 563.882 6.077 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100226489 554253504 /nfs/dbraw/zinc/25/35/04/554253504.db2.gz FUBXHSKISZHREG-UNOMPAQXSA-N -1 0 602.812 5.589 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230166 554255803 /nfs/dbraw/zinc/25/58/03/554255803.db2.gz SABIMFQHNMWGHC-KEBDBYFISA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000100241346 554260525 /nfs/dbraw/zinc/26/05/25/554260525.db2.gz PCNVYFOOXPJUEA-HMAPJEAMSA-N -1 0 612.420 5.334 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000100320692 554305108 /nfs/dbraw/zinc/30/51/08/554305108.db2.gz GSXWQARODJABNV-VXLYETTFSA-N -1 0 604.226 5.605 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100321006 554305486 /nfs/dbraw/zinc/30/54/86/554305486.db2.gz RPXLMIMARDVWHS-NVMNQCDNSA-N -1 0 592.298 6.175 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000100324108 554308164 /nfs/dbraw/zinc/30/81/64/554308164.db2.gz UIHVMZOQCNJPLI-XFXZXTDPSA-N -1 0 540.584 6.336 40 10 KKCBRM COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)ccc1Cl ZINC000100343550 554329340 /nfs/dbraw/zinc/32/93/40/554329340.db2.gz FXMIRDIYCACNMT-SRZZPIQSSA-N -1 0 554.964 5.068 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1 ZINC000058849444 554369134 /nfs/dbraw/zinc/36/91/34/554369134.db2.gz ZMOBLHZBDLNIJV-LZCXECNNSA-N -1 0 507.568 5.239 40 10 KKCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000058928872 554371210 /nfs/dbraw/zinc/37/12/10/554371210.db2.gz WIAIQKNIVSFHMU-DPLHUUCSSA-N -1 0 510.815 7.206 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000059103771 554379468 /nfs/dbraw/zinc/37/94/68/554379468.db2.gz IMSYNKWRRBXGAM-MBTHVWNTSA-N -1 0 597.111 7.902 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cccc(Oc2ccccc2)c1 ZINC000059104753 554380100 /nfs/dbraw/zinc/38/01/00/554380100.db2.gz IEGFNNYYWGZEOV-STBIYBPSSA-N -1 0 518.613 7.453 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Cl)c1 ZINC000059136054 554381754 /nfs/dbraw/zinc/38/17/54/554381754.db2.gz NTSKNJKJDLTIOG-LICLKQGHSA-N -1 0 515.393 6.692 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc2ccccc21 ZINC000059136090 554381878 /nfs/dbraw/zinc/38/18/78/554381878.db2.gz ZWBXGKRKZFKUIK-PXLXIMEGSA-N -1 0 512.562 6.238 40 10 KKCBRM Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000059139014 554382869 /nfs/dbraw/zinc/38/28/69/554382869.db2.gz LHYJUSUVWZOMKC-NLRVBDNBSA-N -1 0 519.557 5.684 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139096 554382889 /nfs/dbraw/zinc/38/28/89/554382889.db2.gz VAYJWZROVSTWEO-KOEQRZSOSA-N -1 0 506.514 5.845 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000059198174 554384407 /nfs/dbraw/zinc/38/44/07/554384407.db2.gz CYFXSXMPHHDOQV-BUVRLJJBSA-N -1 0 514.379 6.517 40 10 KKCBRM Cc1cc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000059198242 554384681 /nfs/dbraw/zinc/38/46/81/554384681.db2.gz VZMFDTFKWZTMKU-WOJGMQOQSA-N -1 0 510.300 5.741 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Br)c3[O-])SC2=S)cc1 ZINC000059502987 554399613 /nfs/dbraw/zinc/39/96/13/554399613.db2.gz MPCBLMYAKAZAMS-VGOFMYFVSA-N -1 0 501.221 5.332 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100525112 554409844 /nfs/dbraw/zinc/40/98/44/554409844.db2.gz SMCQSNFEQNIUBM-DPQBTTMVSA-N -1 0 554.213 6.663 40 10 KKCBRM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000059861460 554456585 /nfs/dbraw/zinc/45/65/85/554456585.db2.gz BRNJKUJJSDRBGY-AFUMVMLFSA-N -1 0 514.622 6.459 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000100935279 554529191 /nfs/dbraw/zinc/52/91/91/554529191.db2.gz FOIHOJCYOOAUFD-TURZUDJPSA-N -1 0 560.078 7.296 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(Br)c(C(F)(F)F)c2)C1=O ZINC000100959049 554541625 /nfs/dbraw/zinc/54/16/25/554541625.db2.gz NLJXWYVUOKWUMO-WQLSENKSSA-N -1 0 547.125 5.118 40 10 KKCBRM Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)C2=O)cc1C ZINC000100959063 554541734 /nfs/dbraw/zinc/54/17/34/554541734.db2.gz JRNXSSHNRUSNKV-KQWNVCNZSA-N -1 0 619.497 5.599 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000101483021 554784783 /nfs/dbraw/zinc/78/47/83/554784783.db2.gz NQFHUJFTEAHIFN-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000103610380 555455147 /nfs/dbraw/zinc/45/51/47/555455147.db2.gz IWBXRQNAPUGSAL-YSURURNPSA-N -1 0 544.449 6.065 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000103754141 555468599 /nfs/dbraw/zinc/46/85/99/555468599.db2.gz RBMPPFWVVCMIOZ-LICLKQGHSA-N -1 0 542.860 5.366 40 10 KKCBRM Cc1ccccc1N1C(=O)C(=Cc2cc(Br)cc(Br)c2[O-])C(=O)N(c2ccccc2C)C1=O ZINC000103759124 555470777 /nfs/dbraw/zinc/47/07/77/555470777.db2.gz OAYWYTVBNUVEAZ-UHFFFAOYSA-N -1 0 570.237 6.117 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000103814240 555481965 /nfs/dbraw/zinc/48/19/65/555481965.db2.gz TYNYAENIJAEOML-XDHOZWIPSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103814496 555482374 /nfs/dbraw/zinc/48/23/74/555482374.db2.gz WEEFJMXAMIBFIT-XDHOZWIPSA-N -1 0 521.367 5.012 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 ZINC000103842634 571362495 /nfs/dbraw/zinc/36/24/95/571362495.db2.gz VJUSJOAZLLGQGD-RGVLZGJSSA-N -1 0 600.411 5.944 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)c1 ZINC000103842601 571362509 /nfs/dbraw/zinc/36/25/09/571362509.db2.gz JBCLNLSCNROIDS-ZXVVBBHZSA-N -1 0 550.611 6.191 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4cccc(F)c4)cc3Br)C2=O)c1 ZINC000103842885 571362546 /nfs/dbraw/zinc/36/25/46/571362546.db2.gz QBGYIYDMNSFHBP-CIAFOILYSA-N -1 0 613.436 5.640 40 10 KKCBRM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 ZINC000103842781 571362571 /nfs/dbraw/zinc/36/25/71/571362571.db2.gz CZFHVKPPBXFDEI-RWPZCVJISA-N -1 0 534.612 6.283 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000103845082 571363116 /nfs/dbraw/zinc/36/31/16/571363116.db2.gz MBUYHSGOQZEKSS-YDZHTSKRSA-N -1 0 571.383 5.576 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)c1 ZINC000103846476 571363485 /nfs/dbraw/zinc/36/34/85/571363485.db2.gz KBLUOPJPHICOMC-LPYMAVHISA-N -1 0 627.463 6.030 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000103848881 571364032 /nfs/dbraw/zinc/36/40/32/571364032.db2.gz LGUIWCCLSZFMSF-RRAHZORUSA-N -1 0 527.555 6.617 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000103849052 571364045 /nfs/dbraw/zinc/36/40/45/571364045.db2.gz FENYGUWPLDRZLV-USHMODERSA-N -1 0 562.000 7.270 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000103848892 571364071 /nfs/dbraw/zinc/36/40/71/571364071.db2.gz WFFNJXILTUUXFH-OFWBYEQRSA-N -1 0 599.618 6.794 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000103849677 571364090 /nfs/dbraw/zinc/36/40/90/571364090.db2.gz DDTXMKGHXUZSRC-GIJQJNRQSA-N -1 0 611.194 5.983 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000103849465 571364136 /nfs/dbraw/zinc/36/41/36/571364136.db2.gz MGUJTPVUZGDQGK-FRKPEAEDSA-N -1 0 598.639 6.794 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000103849516 571364174 /nfs/dbraw/zinc/36/41/74/571364174.db2.gz TWDJCIAKNZFVRH-GIJQJNRQSA-N -1 0 574.746 5.395 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000103849794 571364272 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CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000150424600 571489340 /nfs/dbraw/zinc/48/93/40/571489340.db2.gz OBIAKKKMVNWSQA-MWAVMZGNSA-N -1 0 660.524 7.417 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537387 571497352 /nfs/dbraw/zinc/49/73/52/571497352.db2.gz FIKQDEHKFOWHMU-IQGJIOQQSA-N -1 0 502.467 5.937 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C1=O)[C@H](C)CC(C)(C)N2C ZINC000223570832 571504746 /nfs/dbraw/zinc/50/47/46/571504746.db2.gz QWDLTXNESVKIFH-DDLUMYACSA-N -1 0 510.432 5.454 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223607943 571512741 /nfs/dbraw/zinc/51/27/41/571512741.db2.gz YRJXUVRZTWTHBO-ORWNMUSCSA-N -1 0 524.459 5.925 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223608363 571512892 /nfs/dbraw/zinc/51/28/92/571512892.db2.gz VOGVITZXZKWBLF-MBTVCVBTSA-N 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COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164330715 571545770 /nfs/dbraw/zinc/54/57/70/571545770.db2.gz QOXKMSCKASKSGS-KBKYJPHKSA-N -1 0 757.452 8.320 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000164337848 571546116 /nfs/dbraw/zinc/54/61/16/571546116.db2.gz KGIBRSLGYXPKSG-GKVNEZTPSA-N -1 0 722.683 9.708 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000164336347 571546133 /nfs/dbraw/zinc/54/61/33/571546133.db2.gz OYHWIOSWGPESFD-CCVNUDIWSA-N -1 0 690.432 7.925 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000164335293 571546146 /nfs/dbraw/zinc/54/61/46/571546146.db2.gz KHZYYRHARRHFIG-IPPBACCNSA-N -1 0 698.614 6.918 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)c1 ZINC000164345674 571546151 /nfs/dbraw/zinc/54/61/51/571546151.db2.gz ZPBGSIUZSNXARQ-CIAFOILYSA-N -1 0 629.891 6.154 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 ZINC000164373539 571546532 /nfs/dbraw/zinc/54/65/32/571546532.db2.gz OTRBYPWALSLDBJ-RQZCQDPDSA-N -1 0 639.190 5.577 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164373920 571546544 /nfs/dbraw/zinc/54/65/44/571546544.db2.gz HZJDOHTVPIWLOI-GIJQJNRQSA-N -1 0 747.096 6.043 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164380468 571546677 /nfs/dbraw/zinc/54/66/77/571546677.db2.gz FZRPLJPLTIXEPJ-VXLYETTFSA-N -1 0 651.226 5.447 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164387508 571546687 /nfs/dbraw/zinc/54/66/87/571546687.db2.gz TYLMSYUKAAOMBY-RIYZIHGNSA-N -1 0 617.365 5.037 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000164387356 571546692 /nfs/dbraw/zinc/54/66/92/571546692.db2.gz RBIWOWYHUMFLPG-FYJGNVAPSA-N -1 0 638.458 6.002 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000164379778 571546715 /nfs/dbraw/zinc/54/67/15/571546715.db2.gz JUQXWRKJUFHMNW-VXLYETTFSA-N -1 0 698.226 5.289 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000164384127 571546736 /nfs/dbraw/zinc/54/67/36/571546736.db2.gz FQSNYAOEUMXDPS-ZVHZXABRSA-N -1 0 636.417 6.228 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164379226 571546746 /nfs/dbraw/zinc/54/67/46/571546746.db2.gz YZRZVZJWSBZJQK-VXLYETTFSA-N -1 0 651.226 5.447 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000164376824 571546793 /nfs/dbraw/zinc/54/67/93/571546793.db2.gz UREQKPKBSUCJQO-GIJQJNRQSA-N -1 0 686.190 5.419 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000164391975 571546932 /nfs/dbraw/zinc/54/69/32/571546932.db2.gz DNULFCVNKNYDGQ-VIZOYTHASA-N -1 0 634.277 5.490 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000164393001 571546937 /nfs/dbraw/zinc/54/69/37/571546937.db2.gz REHHLFSGBUQNOP-CXUHLZMHSA-N -1 0 671.713 6.257 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164396661 571547029 /nfs/dbraw/zinc/54/70/29/571547029.db2.gz BKDSPAYDFQWOBB-CXUHLZMHSA-N -1 0 627.262 6.147 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164398993 571547315 /nfs/dbraw/zinc/54/73/15/571547315.db2.gz MYVZIICECXLUGU-CXUHLZMHSA-N -1 0 729.265 5.353 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000164446265 571547596 /nfs/dbraw/zinc/54/75/96/571547596.db2.gz CROBTVGLBMDZHH-GIJQJNRQSA-N -1 0 680.103 6.128 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000164444533 571547646 /nfs/dbraw/zinc/54/76/46/571547646.db2.gz BXTPQMCAVWTJGZ-YBFXNURJSA-N -1 0 682.106 6.062 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 ZINC000164449999 571547939 /nfs/dbraw/zinc/54/79/39/571547939.db2.gz QJBHEGAFXNWNFL-RQZCQDPDSA-N -1 0 700.096 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 ZINC000164450261 571547982 /nfs/dbraw/zinc/54/79/82/571547982.db2.gz DUHQPSDRYVSEMU-GIJQJNRQSA-N -1 0 700.096 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000164456148 571548123 /nfs/dbraw/zinc/54/81/23/571548123.db2.gz DCDZDLYVOJUZMY-GIJQJNRQSA-N -1 0 747.096 6.043 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000164458262 571548153 /nfs/dbraw/zinc/54/81/53/571548153.db2.gz XFQBOIROQAJZMV-UDWIEESQSA-N -1 0 633.236 5.308 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164465878 571548400 /nfs/dbraw/zinc/54/84/00/571548400.db2.gz CONKAAZOHVUVCS-RGVLZGJSSA-N -1 0 726.159 6.460 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164465711 571548454 /nfs/dbraw/zinc/54/84/54/571548454.db2.gz DIFZVRCNTFKDQL-RGVLZGJSSA-N -1 0 679.159 6.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164467233 571548593 /nfs/dbraw/zinc/54/85/93/571548593.db2.gz GSQIWYDXCZCDRE-YBFXNURJSA-N -1 0 681.708 6.351 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000164470975 571548633 /nfs/dbraw/zinc/54/86/33/571548633.db2.gz FWPVYPMKDLGHQV-RGVLZGJSSA-N -1 0 645.260 5.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000164472803 571548638 /nfs/dbraw/zinc/54/86/38/571548638.db2.gz KDKXYLHAMRVYCQ-WOJGMQOQSA-N -1 0 625.100 6.764 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164479614 571548852 /nfs/dbraw/zinc/54/88/52/571548852.db2.gz ZKIWHNGSNZQVLH-GRSHGNNSSA-N -1 0 683.749 6.126 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164581296 571550146 /nfs/dbraw/zinc/55/01/46/571550146.db2.gz FDKGQRRQCYQOTR-XQNSMLJCSA-N -1 0 663.652 7.733 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224466322 571552380 /nfs/dbraw/zinc/55/23/80/571552380.db2.gz SQZBWJFFVHXQIJ-DQEYMECFSA-N -1 0 503.027 6.018 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224466279 571552490 /nfs/dbraw/zinc/55/24/90/571552490.db2.gz SQZBWJFFVHXQIJ-LOSJGSFVSA-N -1 0 503.027 6.018 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224466201 571552498 /nfs/dbraw/zinc/55/24/98/571552498.db2.gz SQZBWJFFVHXQIJ-JWQCQUIFSA-N -1 0 503.027 6.018 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223902206 571571532 /nfs/dbraw/zinc/57/15/32/571571532.db2.gz BDXKXNVPJHUXSZ-IZLXSDGUSA-N -1 0 525.678 5.739 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21 ZINC000208242248 571573689 /nfs/dbraw/zinc/57/36/89/571573689.db2.gz VRCBKQJYBBJWMS-GGNJANJASA-N -1 0 506.817 6.035 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325533 571573791 /nfs/dbraw/zinc/57/37/91/571573791.db2.gz NUOJAZCPINECII-SVZNOHIVSA-N -1 0 526.500 5.701 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208501691 571574517 /nfs/dbraw/zinc/57/45/17/571574517.db2.gz FHLNICIRONUJHV-DEDYPNTBSA-N -1 0 510.457 5.302 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208516235 571574657 /nfs/dbraw/zinc/57/46/57/571574657.db2.gz TXWUPYJOZHMJDK-UDWIEESQSA-N -1 0 510.457 5.302 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2C(C)=CC1(C)C ZINC000208516642 571574693 /nfs/dbraw/zinc/57/46/93/571574693.db2.gz GICCALQQTGFRNF-SFQUDFHCSA-N -1 0 500.451 5.847 40 10 KKCBRM COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000224572827 571577704 /nfs/dbraw/zinc/57/77/04/571577704.db2.gz WPBZSZREMMGHFB-KAYWLYCHSA-N -1 0 512.635 5.681 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223936528 571578895 /nfs/dbraw/zinc/57/88/95/571578895.db2.gz LTSQBQGWKXYTOZ-URLMMPGGSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223940138 571579776 /nfs/dbraw/zinc/57/97/76/571579776.db2.gz PGHCKKNMZITVAE-LOYHVIPDSA-N -1 0 567.715 5.509 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c1 ZINC000215244500 571584178 /nfs/dbraw/zinc/58/41/78/571584178.db2.gz CYAXPQVJEAANMI-YBFXNURJSA-N -1 0 531.327 5.486 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223976844 571587265 /nfs/dbraw/zinc/58/72/65/571587265.db2.gz YJFKFSVWIOJVMW-SVBPBHIXSA-N -1 0 525.634 5.323 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223976696 571587271 /nfs/dbraw/zinc/58/72/71/571587271.db2.gz PRZTZMSOJJCZDJ-RRPNLBNLSA-N -1 0 525.634 5.323 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224639568 571592861 /nfs/dbraw/zinc/59/28/61/571592861.db2.gz KVHWTIKBGJJXNN-CONSDPRKSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224016381 571595771 /nfs/dbraw/zinc/59/57/71/571595771.db2.gz RJRVROIRXDNXNA-FTJBHMTQSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224016189 571595785 /nfs/dbraw/zinc/59/57/85/571595785.db2.gz VQYWXPBYHDVAFV-IZZNHLLZSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224016622 571595844 /nfs/dbraw/zinc/59/58/44/571595844.db2.gz TXQGMCYUBWQNBC-FTJBHMTQSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224020027 571596534 /nfs/dbraw/zinc/59/65/34/571596534.db2.gz DHECXAONKZDWQA-KAYWLYCHSA-N -1 0 526.618 5.402 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224673124 571600161 /nfs/dbraw/zinc/60/01/61/571600161.db2.gz OYPNRELPAQNRKS-AJQTZOPKSA-N -1 0 574.706 7.465 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224055905 571603287 /nfs/dbraw/zinc/60/32/87/571603287.db2.gz VPZLGSTUVCYQNU-VSGBNLITSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224706862 571607155 /nfs/dbraw/zinc/60/71/55/571607155.db2.gz DWODMQAUBAQUOM-ZWXJPIIXSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224707017 571607254 /nfs/dbraw/zinc/60/72/54/571607254.db2.gz YJKHTWXBHVSEHM-ROJLCIKYSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224094408 571609109 /nfs/dbraw/zinc/60/91/09/571609109.db2.gz VQUHYIPSDBRGAP-FQLXRVMXSA-N -1 0 567.715 6.267 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)cc2)cc1 ZINC000224741465 571612812 /nfs/dbraw/zinc/61/28/12/571612812.db2.gz MIRJCHYZRMYNKX-ZWXJPIIXSA-N -1 0 590.705 7.165 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)cc2)cc1 ZINC000224741671 571612832 /nfs/dbraw/zinc/61/28/32/571612832.db2.gz JQXASEYIBFKOGY-ZWXJPIIXSA-N -1 0 590.705 7.165 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224775219 571615886 /nfs/dbraw/zinc/61/58/86/571615886.db2.gz FLVMBIKCDXRDAC-JSOSNVBQSA-N -1 0 621.744 7.424 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224778736 571616190 /nfs/dbraw/zinc/61/61/90/571616190.db2.gz WVWOBNOZJRJOLU-ACHIHNKUSA-N -1 0 635.771 7.732 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224871426 571625208 /nfs/dbraw/zinc/62/52/08/571625208.db2.gz REZBNFAUJGOTSH-RPBOFIJWSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224871675 571625266 /nfs/dbraw/zinc/62/52/66/571625266.db2.gz TTZKHCRCPYPMBO-DQEYMECFSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224874477 571625691 /nfs/dbraw/zinc/62/56/91/571625691.db2.gz MANXTCNPOJPSRT-IZZNHLLZSA-N -1 0 533.053 6.032 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224933776 571631445 /nfs/dbraw/zinc/63/14/45/571631445.db2.gz KAUZWLWEDIRYGO-SVBPBHIXSA-N -1 0 575.532 6.744 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224960172 571634013 /nfs/dbraw/zinc/63/40/13/571634013.db2.gz SQWPIWIDBXYWTL-FTJBHMTQSA-N -1 0 533.053 6.026 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224960604 571634090 /nfs/dbraw/zinc/63/40/90/571634090.db2.gz FDFGTPYMTYDZCT-CLJLJLNGSA-N -1 0 533.053 6.026 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225045936 571641785 /nfs/dbraw/zinc/64/17/85/571641785.db2.gz KCMAUNQXNPJBLQ-VSGBNLITSA-N -1 0 525.678 5.662 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104054 571647621 /nfs/dbraw/zinc/64/76/21/571647621.db2.gz GAZOHPXUQDAWSU-VMPREFPWSA-N -1 0 597.741 6.358 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225132361 571650329 /nfs/dbraw/zinc/65/03/29/571650329.db2.gz KKHDBDOIBBIXOT-WUFINQPMSA-N -1 0 588.133 6.612 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225132697 571650409 /nfs/dbraw/zinc/65/04/09/571650409.db2.gz FXWWXOLYIDJELV-WUFINQPMSA-N -1 0 588.133 6.612 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1OC ZINC000225188414 571656112 /nfs/dbraw/zinc/65/61/12/571656112.db2.gz TYBXLXVFRPWTCQ-WDYNHAJCSA-N -1 0 569.687 5.722 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000225244714 571662017 /nfs/dbraw/zinc/66/20/17/571662017.db2.gz BBQUZCRMNRRYCF-IZLXSDGUSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225270555 571664977 /nfs/dbraw/zinc/66/49/77/571664977.db2.gz LEBABCCYOVQAJT-WDYNHAJCSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225270896 571665045 /nfs/dbraw/zinc/66/50/45/571665045.db2.gz FLFALNPQIFRVFF-URLMMPGGSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225273394 571665297 /nfs/dbraw/zinc/66/52/97/571665297.db2.gz IGOKZHAFVVDPBX-XZWHSSHBSA-N -1 0 583.714 5.566 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NC(C)=O ZINC000225322953 571678477 /nfs/dbraw/zinc/67/84/77/571678477.db2.gz WMRQGJYBAPORHN-FQLXRVMXSA-N -1 0 569.687 5.640 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225431054 571798759 /nfs/dbraw/zinc/79/87/59/571798759.db2.gz QUESWOZNSBNRJS-NSOVKSMOSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225456219 571827671 /nfs/dbraw/zinc/82/76/71/571827671.db2.gz GJLVCCXTTGOCLQ-RRPNLBNLSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225529712 571896857 /nfs/dbraw/zinc/89/68/57/571896857.db2.gz GRNGOFROVMYLOM-WUFINQPMSA-N -1 0 539.661 5.189 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225550850 571913689 /nfs/dbraw/zinc/91/36/89/571913689.db2.gz CBFJXCLURLXYAZ-KYJUHHDHSA-N -1 0 567.715 5.751 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225550876 571913738 /nfs/dbraw/zinc/91/37/38/571913738.db2.gz CBFJXCLURLXYAZ-IHLOFXLRSA-N -1 0 567.715 5.751 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225551079 571914022 /nfs/dbraw/zinc/91/40/22/571914022.db2.gz FEOCSZRTYVKCCI-LOYHVIPDSA-N -1 0 567.715 5.751 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225553069 571915920 /nfs/dbraw/zinc/91/59/20/571915920.db2.gz MLRFZLFBWVGAIT-JSOSNVBQSA-N -1 0 581.742 6.059 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225572146 571933428 /nfs/dbraw/zinc/93/34/28/571933428.db2.gz FOMJPACKHYFIEJ-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225612928 571964751 /nfs/dbraw/zinc/96/47/51/571964751.db2.gz MVMGXHIGUQRMNL-VSGBNLITSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225612956 571964767 /nfs/dbraw/zinc/96/47/67/571964767.db2.gz MVMGXHIGUQRMNL-IZLXSDGUSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225615198 571966044 /nfs/dbraw/zinc/96/60/44/571966044.db2.gz IFCUHWOOVSZMIV-URLMMPGGSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225650437 571998863 /nfs/dbraw/zinc/99/88/63/571998863.db2.gz COKPDCJCBZJLNU-IHLOFXLRSA-N -1 0 567.715 5.805 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225668061 572010415 /nfs/dbraw/zinc/01/04/15/572010415.db2.gz PXZHHFGDDIENRP-FQLXRVMXSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225687000 572023605 /nfs/dbraw/zinc/02/36/05/572023605.db2.gz KPPKWTRQPXCOBT-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225687103 572023673 /nfs/dbraw/zinc/02/36/73/572023673.db2.gz UWQKCYJXYVWBSD-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225708230 572038508 /nfs/dbraw/zinc/03/85/08/572038508.db2.gz HCXGVMFPDRFNIJ-LQJZCPKCSA-N -1 0 603.748 6.650 40 10 KKCBRM CC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000263593870 572127238 /nfs/dbraw/zinc/12/72/38/572127238.db2.gz BTNCTWUHNXFUEN-RUELLGKTSA-N -1 0 508.581 6.030 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408527871 572162027 /nfs/dbraw/zinc/16/20/27/572162027.db2.gz AGMFKOVWVQQSOP-YBFXNURJSA-N -1 0 589.320 5.362 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc(Br)cc1 ZINC000408529142 572167466 /nfs/dbraw/zinc/16/74/66/572167466.db2.gz CDCKYKQZHJFZHY-ATVHPVEESA-N -1 0 588.183 5.236 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408530221 572171116 /nfs/dbraw/zinc/17/11/16/572171116.db2.gz DOKDLZWPQSBANL-FFKFWDHTSA-N -1 0 756.572 6.755 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408531970 572178120 /nfs/dbraw/zinc/17/81/20/572178120.db2.gz HQVSPCQAFJZTNG-IWWQDUJXSA-N -1 0 671.254 5.414 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408532051 572178634 /nfs/dbraw/zinc/17/86/34/572178634.db2.gz HYTDGBSJEUIFKW-ZDLGFXPLSA-N -1 0 694.086 5.768 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408532475 572179595 /nfs/dbraw/zinc/17/95/95/572179595.db2.gz IGESQXHMWQTAKE-NVMNQCDNSA-N -1 0 653.110 6.712 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Br)cc2)C1=O ZINC000408533038 572181594 /nfs/dbraw/zinc/18/15/94/572181594.db2.gz JDDGHRFPNMOARE-BOPFTXTBSA-N -1 0 679.115 5.868 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2ccc(Cl)cc2)C1=O ZINC000408534119 572185399 /nfs/dbraw/zinc/18/53/99/572185399.db2.gz LIYKWZKXIYHLLF-OLKAJYLJSA-N -1 0 644.703 6.459 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])C2=O)cc1C ZINC000408534533 572186027 /nfs/dbraw/zinc/18/60/27/572186027.db2.gz VXGIKZATWLVOMS-HZHRSRAPSA-N -1 0 514.582 5.258 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408534518 572186194 /nfs/dbraw/zinc/18/61/94/572186194.db2.gz MGNMSUZBQQMQBS-ODLFYWEKSA-N -1 0 679.115 5.868 40 10 KKCBRM CCOC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1Cl ZINC000408534817 572186983 /nfs/dbraw/zinc/18/69/83/572186983.db2.gz RIIKDUIYKMJHDU-LFVJCYFKSA-N -1 0 548.039 5.563 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408535587 572189109 /nfs/dbraw/zinc/18/91/09/572189109.db2.gz OFKMIHKIBVYDON-VCHYOVAHSA-N -1 0 637.213 5.492 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408536136 572190161 /nfs/dbraw/zinc/19/01/61/572190161.db2.gz PWUMLNORPPRPBI-NAAZAUSASA-N -1 0 546.963 5.033 40 10 KKCBRM COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000408535993 572190295 /nfs/dbraw/zinc/19/02/95/572190295.db2.gz VCRWSJSUBRNDTG-JCMHNJIXSA-N -1 0 525.030 5.485 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408536203 572190544 /nfs/dbraw/zinc/19/05/44/572190544.db2.gz QHIQALVJWBUBPO-NDENLUEZSA-N -1 0 614.246 5.414 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNNc1cc(Cl)ccc1Cl ZINC000408536265 572190567 /nfs/dbraw/zinc/19/05/67/572190567.db2.gz VPEUSERCRBKCGT-KGENOOAVSA-N -1 0 525.436 5.545 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)/C1=C/NN1C(=O)c2cccc3cc(O)cc(c32)C1=O ZINC000408536301 572190707 /nfs/dbraw/zinc/19/07/07/572190707.db2.gz VZPKPJDRROMISV-BUVRLJJBSA-N -1 0 655.505 5.043 40 10 KKCBRM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000408536273 572190749 /nfs/dbraw/zinc/19/07/49/572190749.db2.gz VQLUFBZJQOAIGL-STZFKDTASA-N -1 0 512.570 5.363 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408536730 572192166 /nfs/dbraw/zinc/19/21/66/572192166.db2.gz ATCVTESZMNJFAZ-VEILYXNESA-N -1 0 597.067 6.790 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1 ZINC000408536748 572192321 /nfs/dbraw/zinc/19/23/21/572192321.db2.gz AVTDDCLQIAGMSW-TWKHWXDSSA-N -1 0 636.701 6.707 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)C=Cc2ccc(Cl)cc2)C1=O ZINC000408536840 572192835 /nfs/dbraw/zinc/19/28/35/572192835.db2.gz SRGSTEWIGVDQPN-KOAZRBSPSA-N -1 0 581.806 5.396 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537379 572194400 /nfs/dbraw/zinc/19/44/00/572194400.db2.gz DGDPQEZNYNAQTH-NTFVMDSBSA-N -1 0 641.120 7.189 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)c(C)cc1Br ZINC000408537701 572195522 /nfs/dbraw/zinc/19/55/22/572195522.db2.gz GYEPRHDJIHIUOA-XYOKQWHBSA-N -1 0 527.600 5.061 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408537631 572195558 /nfs/dbraw/zinc/19/55/58/572195558.db2.gz WKJUXKBUCPFMAZ-WQRHYEAKSA-N -1 0 629.217 5.314 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000408537741 572195652 /nfs/dbraw/zinc/19/56/52/572195652.db2.gz HCMWCUHSDAPJQC-BOPFTXTBSA-N -1 0 595.244 5.745 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537696 572195668 /nfs/dbraw/zinc/19/56/68/572195668.db2.gz GWMOPCHOXDRCOH-WGARJPEWSA-N -1 0 702.514 6.589 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408537624 572195815 /nfs/dbraw/zinc/19/58/15/572195815.db2.gz GLGOJYHXRAMIAZ-JVWAILMASA-N -1 0 643.092 6.580 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408537756 572196171 /nfs/dbraw/zinc/19/61/71/572196171.db2.gz XBAMCVJIMJZINY-LDADJPATSA-N -1 0 555.370 5.286 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537885 572196411 /nfs/dbraw/zinc/19/64/11/572196411.db2.gz HSZQMLRCFIRBKE-DICXZTSXSA-N -1 0 627.093 6.798 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537957 572196457 /nfs/dbraw/zinc/19/64/57/572196457.db2.gz IOILISGMWVJJOS-QFEZKATASA-N -1 0 677.935 6.944 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408538010 572196551 /nfs/dbraw/zinc/19/65/51/572196551.db2.gz YLTSORDNAYZROI-KRWXNTFSSA-N -1 0 630.676 6.150 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 ZINC000408538316 572197538 /nfs/dbraw/zinc/19/75/38/572197538.db2.gz KYCZBSORAAMZSY-PKAZHMFMSA-N -1 0 628.037 6.471 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Cl)c3)C2=O)cc1 ZINC000408538306 572197603 /nfs/dbraw/zinc/19/76/03/572197603.db2.gz KRZIUOFWXQAHLL-CVKSISIWSA-N -1 0 647.511 7.225 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538369 572197979 /nfs/dbraw/zinc/19/79/79/572197979.db2.gz LRSSTXJBSZQQMU-CEUNXORHSA-N -1 0 606.631 5.696 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538507 572198782 /nfs/dbraw/zinc/19/87/82/572198782.db2.gz OACVBZMILFKFFI-QFEZKATASA-N -1 0 662.482 7.125 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538591 572199055 /nfs/dbraw/zinc/19/90/55/572199055.db2.gz OZDBQQZMGJBGPG-DIBXZPPDSA-N -1 0 583.040 6.563 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538624 572199071 /nfs/dbraw/zinc/19/90/71/572199071.db2.gz ASSSLLWHBGGURX-MYYYXRDXSA-N -1 0 705.989 7.643 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1 ZINC000408538627 572199096 /nfs/dbraw/zinc/19/90/96/572199096.db2.gz ATFLNNRDSYWXFM-UQQQWYQISA-N -1 0 661.936 7.244 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538697 572199111 /nfs/dbraw/zinc/19/91/11/572199111.db2.gz PGFFMSFVAUWFPM-CFRMEGHHSA-N -1 0 726.407 7.988 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408538707 572199211 /nfs/dbraw/zinc/19/92/11/572199211.db2.gz PKIRBCJZFREJOH-CVKSISIWSA-N -1 0 629.065 6.190 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408538727 572199687 /nfs/dbraw/zinc/19/96/87/572199687.db2.gz PUAWZGIWAFCOPS-YVLHZVERSA-N -1 0 595.244 5.745 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538867 572199960 /nfs/dbraw/zinc/19/99/60/572199960.db2.gz CSQHEHYSYJAOCK-DHRITJCHSA-N -1 0 651.930 7.870 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538943 572200046 /nfs/dbraw/zinc/20/00/46/572200046.db2.gz RWHXTXCNILFQHL-CVKSISIWSA-N -1 0 691.962 7.334 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538933 572200070 /nfs/dbraw/zinc/20/00/70/572200070.db2.gz RQGNGJNJRPKGNH-ZXSNDDASSA-N -1 0 733.217 8.541 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408539349 572202102 /nfs/dbraw/zinc/20/21/02/572202102.db2.gz VSAHGUYRJXDYHW-WOJGMQOQSA-N -1 0 505.398 5.936 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408539433 572202124 /nfs/dbraw/zinc/20/21/24/572202124.db2.gz HOQGNFSWOLRADY-ATVHPVEESA-N -1 0 549.849 6.045 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539504 572202465 /nfs/dbraw/zinc/20/24/65/572202465.db2.gz IBIGYTUZXHZJFB-QQXSKIMKSA-N -1 0 657.517 6.681 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539494 572202620 /nfs/dbraw/zinc/20/26/20/572202620.db2.gz WQERCJVQPNRQQP-TURZUDJPSA-N -1 0 657.517 6.681 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408539652 572202876 /nfs/dbraw/zinc/20/28/76/572202876.db2.gz JCKLEKFOWZDIKS-AQTBWJFISA-N -1 0 501.377 5.083 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408539679 572202949 /nfs/dbraw/zinc/20/29/49/572202949.db2.gz XZHXHWOFHNCPKM-BOPFTXTBSA-N -1 0 539.843 6.671 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539755 572203262 /nfs/dbraw/zinc/20/32/62/572203262.db2.gz YPKWRPHWSMYWTE-FSGOGVSDSA-N -1 0 576.649 6.527 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539745 572203364 /nfs/dbraw/zinc/20/33/64/572203364.db2.gz YMGCFFZCEBWCKB-MIXAMLLLSA-N -1 0 606.675 6.535 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539770 572203378 /nfs/dbraw/zinc/20/33/78/572203378.db2.gz YTKQQDFQDVHCDD-YSMPRRRNSA-N -1 0 647.511 7.225 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408539717 572203482 /nfs/dbraw/zinc/20/34/82/572203482.db2.gz YFGHZSFSGRAZIH-CPNJWEJPSA-N -1 0 531.403 5.092 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540041 572204107 /nfs/dbraw/zinc/20/41/07/572204107.db2.gz MDNIZQIKKZRPPN-DIBXZPPDSA-N -1 0 599.108 6.728 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)cc3)C2=O)cc1OCC ZINC000408539995 572204120 /nfs/dbraw/zinc/20/41/20/572204120.db2.gz LNKBIKLNQAIVIE-NJZRLIGZSA-N -1 0 650.728 7.097 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408540290 572204961 /nfs/dbraw/zinc/20/49/61/572204961.db2.gz PQMZVUZZDBFKGN-OQKWZONESA-N -1 0 573.484 6.262 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1OC ZINC000408540215 572205113 /nfs/dbraw/zinc/20/51/13/572205113.db2.gz OQYDAVCZEXLGCI-QRQIAZFYSA-N -1 0 745.623 7.478 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408540356 572205379 /nfs/dbraw/zinc/20/53/79/572205379.db2.gz QQWKPQBRUMCSRP-IMRQLAEWSA-N -1 0 534.568 5.520 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540384 572205461 /nfs/dbraw/zinc/20/54/61/572205461.db2.gz RBKKNRGWKIQBNT-PKAZHMFMSA-N -1 0 627.093 6.962 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1OCC ZINC000408540468 572205915 /nfs/dbraw/zinc/20/59/15/572205915.db2.gz SFEPWHZWOOPDOC-TWKHWXDSSA-N -1 0 680.754 7.106 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540536 572206223 /nfs/dbraw/zinc/20/62/23/572206223.db2.gz SYOMQNIJCGZZKL-ITYLOYPMSA-N -1 0 613.464 6.282 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408540655 572206479 /nfs/dbraw/zinc/20/64/79/572206479.db2.gz UXUSQNUUTLCNSD-AQTBWJFISA-N -1 0 563.876 6.435 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408540707 572206569 /nfs/dbraw/zinc/20/65/69/572206569.db2.gz VHBSYSSYRNPFKC-NDZAJKAJSA-N -1 0 773.677 8.258 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541141 572207762 /nfs/dbraw/zinc/20/77/62/572207762.db2.gz DZEYZHXUMREGQN-PCLIKHOPSA-N -1 0 618.484 5.329 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408541138 572207841 /nfs/dbraw/zinc/20/78/41/572207841.db2.gz XYRYXXSFFAZZGM-DHRITJCHSA-N -1 0 665.957 8.178 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408541574 572209024 /nfs/dbraw/zinc/20/90/24/572209024.db2.gz ZXRFULYCUGSRGA-VULFUBBASA-N -1 0 661.538 7.534 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543147 572212104 /nfs/dbraw/zinc/21/21/04/572212104.db2.gz PNQJPLKQJZPKCC-KOEQRZSOSA-N -1 0 574.033 5.220 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550392 572233824 /nfs/dbraw/zinc/23/38/24/572233824.db2.gz DHLZQVFOAVHSND-CFRMEGHHSA-N -1 0 772.379 6.870 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550702 572234680 /nfs/dbraw/zinc/23/46/80/572234680.db2.gz GODIQQOVCHQVSK-VXLYETTFSA-N -1 0 602.858 6.038 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550801 572235051 /nfs/dbraw/zinc/23/50/51/572235051.db2.gz HKTWQCZHOMTKSB-LSCVHKIXSA-N -1 0 678.279 5.747 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1C ZINC000408550980 572235412 /nfs/dbraw/zinc/23/54/12/572235412.db2.gz IRHOLLJLCTWPPX-LSCVHKIXSA-N -1 0 607.277 6.601 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408551266 572235722 /nfs/dbraw/zinc/23/57/22/572235722.db2.gz JTXVMXUSLXJCBS-SOFYXZRVSA-N -1 0 713.122 6.111 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551262 572235829 /nfs/dbraw/zinc/23/58/29/572235829.db2.gz JTRWWJSWMWAZJF-LSCVHKIXSA-N -1 0 725.279 5.589 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551629 572236426 /nfs/dbraw/zinc/23/64/26/572236426.db2.gz LOASMMHECNQFPO-JMIUGGIZSA-N -1 0 661.336 6.455 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408552231 572238124 /nfs/dbraw/zinc/23/81/24/572238124.db2.gz PMDIVKXCAKDRCG-APSNUPSMSA-N -1 0 624.220 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552588 572238648 /nfs/dbraw/zinc/23/86/48/572238648.db2.gz RBWIOIHZMBZZOJ-QGMBQPNBSA-N -1 0 637.303 6.691 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000408552960 572239598 /nfs/dbraw/zinc/23/95/98/572239598.db2.gz SVWHOVOPGUVGGJ-VXLYETTFSA-N -1 0 681.356 7.172 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408553187 572239887 /nfs/dbraw/zinc/23/98/87/572239887.db2.gz MNRQPBMUGXJDQW-MFOYZWKCSA-N -1 0 605.228 5.145 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553969 572241175 /nfs/dbraw/zinc/24/11/75/572241175.db2.gz XVFYBZWRZDDEAC-ZDLGFXPLSA-N -1 0 649.350 6.003 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408554023 572241432 /nfs/dbraw/zinc/24/14/32/572241432.db2.gz YIDZPUPUKWHCHY-APSNUPSMSA-N -1 0 613.668 6.638 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408554086 572241470 /nfs/dbraw/zinc/24/14/70/572241470.db2.gz ZALNNYJSCPXMNM-FRKPEAEDSA-N -1 0 658.119 6.747 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408554180 572241688 /nfs/dbraw/zinc/24/16/88/572241688.db2.gz ZXEOWDJUZZQTBE-UDWIEESQSA-N -1 0 584.412 5.085 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000408555124 572242576 /nfs/dbraw/zinc/24/25/76/572242576.db2.gz VSXVSRHHXGICNH-UDWIEESQSA-N -1 0 691.362 6.627 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555343 572242698 /nfs/dbraw/zinc/24/26/98/572242698.db2.gz XCNMJWUFZWAKAQ-OCKHKDLRSA-N -1 0 602.858 5.956 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408555883 572243257 /nfs/dbraw/zinc/24/32/57/572243257.db2.gz ZJDDCLAYVBOINF-GIJQJNRQSA-N -1 0 649.281 5.457 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1Cl ZINC000408555877 572243284 /nfs/dbraw/zinc/24/32/84/572243284.db2.gz ZGSDDFFTOVDCDM-VXLYETTFSA-N -1 0 558.805 5.639 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408555913 572243478 /nfs/dbraw/zinc/24/34/78/572243478.db2.gz ZZRJTBLFHUGKAY-NVMNQCDNSA-N -1 0 632.840 5.126 40 10 KKCBRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408587204 572266443 /nfs/dbraw/zinc/26/64/43/572266443.db2.gz SGMIDRJEPJGZAY-UHFFFAOYSA-N -1 0 553.011 6.162 40 10 KKCBRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000408601439 572272804 /nfs/dbraw/zinc/27/28/04/572272804.db2.gz AYBPHRIVNIDONZ-UHFFFAOYSA-N -1 0 504.995 5.933 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1OCC ZINC000408601950 572272988 /nfs/dbraw/zinc/27/29/88/572272988.db2.gz MJCPBYNMBAOUBX-XMHGGMMESA-N -1 0 529.376 6.107 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])n[nH]1 ZINC000408631243 572287280 /nfs/dbraw/zinc/28/72/80/572287280.db2.gz GUFNHKZPHCNCLB-NKVSQWTQSA-N -1 0 549.867 7.066 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)[O-])o2)c1 ZINC000408631853 572288147 /nfs/dbraw/zinc/28/81/47/572288147.db2.gz GUSYPSQJVUBSBT-ZVHZXABRSA-N -1 0 520.611 5.445 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)[O-])o2)c1 ZINC000408632801 572289311 /nfs/dbraw/zinc/28/93/11/572289311.db2.gz KNYPKIJYXKJNAU-UUYOSTAYSA-N -1 0 522.539 5.287 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408633582 572290297 /nfs/dbraw/zinc/29/02/97/572290297.db2.gz NZKGVJBDHLRTNH-YVNNLAQVSA-N -1 0 545.448 6.421 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])c2C)cc1 ZINC000408634369 572291393 /nfs/dbraw/zinc/29/13/93/572291393.db2.gz QEQZANSLALVPGX-HMAPJEAMSA-N -1 0 523.998 6.192 40 10 KKCBRM Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(C)c(I)c1 ZINC000408635252 572292348 /nfs/dbraw/zinc/29/23/48/572292348.db2.gz YPYUDTUAXLSQGG-NHDPSOOVSA-N -1 0 530.387 6.366 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])c2C)cc1 ZINC000408635332 572292473 /nfs/dbraw/zinc/29/24/73/572292473.db2.gz ZKJQLCXQUZCERM-HMAPJEAMSA-N -1 0 523.014 5.927 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OCC ZINC000096193407 1069689001 /nfs/dbraw/zinc/68/90/01/1069689001.db2.gz GYLQLLSHLCKHJT-NVNXTCNLSA-N -1 0 507.768 5.404 40 10 KKCBRM COC(=O)c1cc(Br)ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)o1 ZINC000100487736 1069698116 /nfs/dbraw/zinc/69/81/16/1069698116.db2.gz AXXGUPWROAYPQT-BOPFTXTBSA-N -1 0 543.757 5.653 40 10 KKCBRM CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000101742177 1069700775 /nfs/dbraw/zinc/70/07/75/1069700775.db2.gz QXZZDSLKKPPUHM-KGENOOAVSA-N -1 0 548.524 6.392 40 10 KKCBRM CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1Cl ZINC000102686379 1069706019 /nfs/dbraw/zinc/70/60/19/1069706019.db2.gz BNSRTMZAFZFLDU-FYJGNVAPSA-N -1 0 528.055 5.657 40 10 KKCBRM CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1Cl ZINC000102686386 1069706106 /nfs/dbraw/zinc/70/61/06/1069706106.db2.gz AIHGWPLHVFWEOX-KGENOOAVSA-N -1 0 528.055 5.657 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408755174 1069729018 /nfs/dbraw/zinc/72/90/18/1069729018.db2.gz PYEQPBFWHHANAC-LDADJPATSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)c1 ZINC000408772701 1069740013 /nfs/dbraw/zinc/74/00/13/1069740013.db2.gz HHTSCWQZVJHRQG-UFWORHAWSA-N -1 0 564.252 7.162 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000408782267 1069740507 /nfs/dbraw/zinc/74/05/07/1069740507.db2.gz GOGPIFAROCBALJ-KEBDBYFISA-N -1 0 584.810 5.873 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408799782 1069741704 /nfs/dbraw/zinc/74/17/04/1069741704.db2.gz LBQNAUAVMZPBLM-LPYMAVHISA-N -1 0 658.420 5.251 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1Br ZINC000408836533 1069745487 /nfs/dbraw/zinc/74/54/87/1069745487.db2.gz SESMNDQTHAIRFK-OPFHDNLVSA-N -1 0 648.557 7.002 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2cccc3ccccc32)C1=O ZINC000408894213 1069751360 /nfs/dbraw/zinc/75/13/60/1069751360.db2.gz BRDMRAAAGGTEEW-JLPGSUDCSA-N -1 0 541.401 6.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408884360 1069749875 /nfs/dbraw/zinc/74/98/75/1069749875.db2.gz UFRWHYLHMTZWLM-CIAFOILYSA-N -1 0 604.803 5.740 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089308 1069773550 /nfs/dbraw/zinc/77/35/50/1069773550.db2.gz IJMUXEQYUKOERJ-VIZOYTHASA-N -1 0 644.773 7.431 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090443 1069774259 /nfs/dbraw/zinc/77/42/59/1069774259.db2.gz PMKHRSDPBAFXLQ-LFVJCYFKSA-N -1 0 580.509 5.541 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCCC)c(Cl)c3)C2=O)cc1OC ZINC000409132114 1069783330 /nfs/dbraw/zinc/78/33/30/1069783330.db2.gz LHFGYBPMYYZMCB-LICLKQGHSA-N -1 0 521.397 5.242 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000409187213 1069797898 /nfs/dbraw/zinc/79/78/98/1069797898.db2.gz NMTAJFZIAKNRCF-CIAFOILYSA-N -1 0 602.304 5.631 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409218518 1069801033 /nfs/dbraw/zinc/80/10/33/1069801033.db2.gz JIQDGNSWCOKIJT-SRZZPIQSSA-N -1 0 659.864 5.336 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408768898 1069873991 /nfs/dbraw/zinc/87/39/91/1069873991.db2.gz LIEQNTPTVPNBCV-UDWIEESQSA-N -1 0 602.812 5.589 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)C(=O)[N-]C1=S ZINC000408775851 1069880900 /nfs/dbraw/zinc/88/09/00/1069880900.db2.gz SOEOBBXFUVLIAA-KGENOOAVSA-N -1 0 598.462 5.273 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408772962 1069885458 /nfs/dbraw/zinc/88/54/58/1069885458.db2.gz OGTADMWCKNSORU-WSDLNYQXSA-N -1 0 583.866 6.363 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408773312 1069886758 /nfs/dbraw/zinc/88/67/58/1069886758.db2.gz QOLFCSTTWGQHPW-YDZHTSKRSA-N -1 0 547.394 6.401 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408773705 1069887831 /nfs/dbraw/zinc/88/78/31/1069887831.db2.gz WQLGWJFCEWKCNQ-MFKUBSTISA-N -1 0 611.636 6.151 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408775473 1069892640 /nfs/dbraw/zinc/89/26/40/1069892640.db2.gz HKKRNNPXJGZDGI-UDWIEESQSA-N -1 0 525.388 5.946 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408777381 1069894163 /nfs/dbraw/zinc/89/41/63/1069894163.db2.gz ZMZNLBXULCBGQP-VXLYETTFSA-N -1 0 649.133 6.528 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408779276 1069900123 /nfs/dbraw/zinc/90/01/23/1069900123.db2.gz CPHYZWYXJAICFL-JFLMPSFJSA-N -1 0 665.407 7.029 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C2=O)c1 ZINC000408780818 1069904554 /nfs/dbraw/zinc/90/45/54/1069904554.db2.gz LLPCMEWWAFLOHG-WCMJOSRZSA-N -1 0 563.698 6.627 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408782821 1069908492 /nfs/dbraw/zinc/90/84/92/1069908492.db2.gz JWEHJLVHOYIDLU-GZTJUZNOSA-N -1 0 594.236 5.980 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408782049 1069906092 /nfs/dbraw/zinc/90/60/92/1069906092.db2.gz FNBJSEFBFVNDDE-CIAFOILYSA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)c1 ZINC000408782143 1069906115 /nfs/dbraw/zinc/90/61/15/1069906115.db2.gz HYPGNFRXZKBOOM-VCHYOVAHSA-N -1 0 559.884 6.343 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408784305 1069911506 /nfs/dbraw/zinc/91/15/06/1069911506.db2.gz AUTZIPACWQFJNM-GZTJUZNOSA-N -1 0 580.209 5.672 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000408784668 1069912156 /nfs/dbraw/zinc/91/21/56/1069912156.db2.gz RMLFNKXSRAHMLL-PXLXIMEGSA-N -1 0 550.920 6.757 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(I)c3)C2=O)cc1 ZINC000408784868 1069912577 /nfs/dbraw/zinc/91/25/77/1069912577.db2.gz CUXRPBTZQZMRCH-VXLYETTFSA-N -1 0 682.227 5.589 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408784976 1069913366 /nfs/dbraw/zinc/91/33/66/1069913366.db2.gz DWFUDMFIHDIUSY-OGLMXYFKSA-N -1 0 554.046 6.610 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408789133 1069917767 /nfs/dbraw/zinc/91/77/67/1069917767.db2.gz JOZKVDOLQVDEFY-YBFXNURJSA-N -1 0 603.756 5.098 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408786756 1069922183 /nfs/dbraw/zinc/92/21/83/1069922183.db2.gz NAGVGTVSCXJGNN-UDWIEESQSA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408786983 1069923075 /nfs/dbraw/zinc/92/30/75/1069923075.db2.gz ZCBSJLAKWZDUMY-GIJQJNRQSA-N -1 0 688.799 6.747 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408787175 1069923849 /nfs/dbraw/zinc/92/38/49/1069923849.db2.gz TVOHMEKXMJDDJF-SRZZPIQSSA-N -1 0 580.391 5.228 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)cc1 ZINC000408788237 1069925129 /nfs/dbraw/zinc/92/51/29/1069925129.db2.gz CSJTVUGGFNEYRF-RDRPBHBLSA-N -1 0 614.496 6.501 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408795181 1069927023 /nfs/dbraw/zinc/92/70/23/1069927023.db2.gz BPDZTZNQNIZKHE-AFUMVMLFSA-N -1 0 541.003 6.364 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408791221 1069930202 /nfs/dbraw/zinc/93/02/02/1069930202.db2.gz XJIFBVHUNZQQRR-WKULSOCRSA-N -1 0 688.562 7.013 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000408796353 1069928617 /nfs/dbraw/zinc/92/86/17/1069928617.db2.gz ACWMIZUMWWVBIJ-UDWIEESQSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408799912 1069935458 /nfs/dbraw/zinc/93/54/58/1069935458.db2.gz JGZBLXAVRCXSNM-HYARGMPZSA-N -1 0 535.358 6.531 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408799214 1069933727 /nfs/dbraw/zinc/93/37/27/1069933727.db2.gz JXUBZXLTCLDKIZ-RQZCQDPDSA-N -1 0 580.649 6.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408800555 1069937015 /nfs/dbraw/zinc/93/70/15/1069937015.db2.gz POTLOGVBISIDMI-WSDLNYQXSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408800563 1069937104 /nfs/dbraw/zinc/93/71/04/1069937104.db2.gz PQRPQYHMXJHSKL-RGVLZGJSSA-N -1 0 527.360 5.343 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)c(C)c1 ZINC000408801019 1069937635 /nfs/dbraw/zinc/93/76/35/1069937635.db2.gz RFQKKDHPHYDZMJ-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408801315 1069938616 /nfs/dbraw/zinc/93/86/16/1069938616.db2.gz VDXXLGBWJJXVOX-OEAKJJBVSA-N -1 0 535.394 5.266 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408801680 1069940187 /nfs/dbraw/zinc/94/01/87/1069940187.db2.gz VFABYZHEGVUEFJ-HZHRSRAPSA-N -1 0 589.873 7.118 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000408801561 1069940294 /nfs/dbraw/zinc/94/02/94/1069940294.db2.gz VTSJXVVGTLVLEF-FYJGNVAPSA-N -1 0 505.914 5.110 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408801624 1069940429 /nfs/dbraw/zinc/94/04/29/1069940429.db2.gz VABDJBIYYBVQHK-XDHOZWIPSA-N -1 0 569.839 6.055 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408806412 1069941879 /nfs/dbraw/zinc/94/18/79/1069941879.db2.gz JDFGHLYSXQTWAF-GIJQJNRQSA-N -1 0 545.806 6.209 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408806721 1069942612 /nfs/dbraw/zinc/94/26/12/1069942612.db2.gz BJZIAFWDSTZBNJ-CIAFOILYSA-N -1 0 582.394 5.162 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408802547 1069944984 /nfs/dbraw/zinc/94/49/84/1069944984.db2.gz YQNITNJLBYLKMM-KEBDBYFISA-N -1 0 556.358 5.546 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408803350 1069947629 /nfs/dbraw/zinc/94/76/29/1069947629.db2.gz NVPLZCVNOQBYHP-XDHOZWIPSA-N -1 0 574.258 6.618 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408803727 1069948378 /nfs/dbraw/zinc/94/83/78/1069948378.db2.gz SSPDFPHRAHIDCS-NTUHNPAUSA-N -1 0 575.186 5.062 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408804046 1069948901 /nfs/dbraw/zinc/94/89/01/1069948901.db2.gz VHEJGHMVVDOXFM-PCLIKHOPSA-N -1 0 569.455 6.719 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408804012 1069949320 /nfs/dbraw/zinc/94/93/20/1069949320.db2.gz BWLGMWJBQNTTOV-HYARGMPZSA-N -1 0 593.430 5.270 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408803129 1069946813 /nfs/dbraw/zinc/94/68/13/1069946813.db2.gz LMGCNNGNCOJKNR-GIJQJNRQSA-N -1 0 638.729 7.362 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000408804844 1069951608 /nfs/dbraw/zinc/95/16/08/1069951608.db2.gz BTGDTFVIRBTNND-NLRVBDNBSA-N -1 0 547.010 7.200 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408804822 1069951655 /nfs/dbraw/zinc/95/16/55/1069951655.db2.gz BPFJAJVZCDQTKF-RGVLZGJSSA-N -1 0 604.240 5.788 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000408805265 1069952732 /nfs/dbraw/zinc/95/27/32/1069952732.db2.gz FPHDQMCSLIKBLU-FYJGNVAPSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)c(C)c4)ccc4ccccc43)C2=O)c(C)c1 ZINC000408805534 1069953306 /nfs/dbraw/zinc/95/33/06/1069953306.db2.gz GJSFWYPHBKHVAK-WPWMEQJKSA-N -1 0 504.586 6.319 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1C ZINC000408805463 1069953463 /nfs/dbraw/zinc/95/34/63/1069953463.db2.gz KHAGPHBRRQELDJ-SRZZPIQSSA-N -1 0 509.389 6.164 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408806271 1069955960 /nfs/dbraw/zinc/95/59/60/1069955960.db2.gz AYDUGJOGVLIXNB-CNHKJKLMSA-N -1 0 621.227 5.918 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)c1C ZINC000408805663 1069954203 /nfs/dbraw/zinc/95/42/03/1069954203.db2.gz BNSGOWRDMIGRHG-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408806103 1069955004 /nfs/dbraw/zinc/95/50/04/1069955004.db2.gz AGIPUIXTRMJAMV-LFVJCYFKSA-N -1 0 555.030 6.754 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408805867 1069955054 /nfs/dbraw/zinc/95/50/54/1069955054.db2.gz LXLQPCSZAIEQSM-WGOQTCKBSA-N -1 0 520.585 6.019 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408807826 1069957229 /nfs/dbraw/zinc/95/72/29/1069957229.db2.gz LEGLTUYJRASJIH-LPYMAVHISA-N -1 0 583.866 6.309 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408807916 1069957922 /nfs/dbraw/zinc/95/79/22/1069957922.db2.gz PENBKNDJKXVOBZ-LPYMAVHISA-N -1 0 548.979 5.079 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408807906 1069958034 /nfs/dbraw/zinc/95/80/34/1069958034.db2.gz IHVNIWVVRSJMGG-PCLIKHOPSA-N -1 0 585.454 6.555 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408808800 1069960646 /nfs/dbraw/zinc/96/06/46/1069960646.db2.gz GCIPJDMITWGZDX-HYARGMPZSA-N -1 0 518.953 5.071 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)cc3)C2=O)cc1Cl ZINC000408808192 1069958846 /nfs/dbraw/zinc/95/88/46/1069958846.db2.gz DZTKPVIPZIBJMP-MFKUBSTISA-N -1 0 510.977 6.355 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408808639 1069959802 /nfs/dbraw/zinc/95/98/02/1069959802.db2.gz QMRAWHXDMZROQO-CIAFOILYSA-N -1 0 525.388 5.946 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408809832 1069962950 /nfs/dbraw/zinc/96/29/50/1069962950.db2.gz RYZGHWYDTGRUIB-HYARGMPZSA-N -1 0 596.264 7.155 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408810620 1069963710 /nfs/dbraw/zinc/96/37/10/1069963710.db2.gz JHCAQVOMJWOVLM-TWKHWXDSSA-N -1 0 556.618 6.946 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000408811624 1069966169 /nfs/dbraw/zinc/96/61/69/1069966169.db2.gz KLSQSCOOYJNQPJ-XDHOZWIPSA-N -1 0 570.783 5.565 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000408810844 1069964434 /nfs/dbraw/zinc/96/44/34/1069964434.db2.gz QCBPDEYDJFQUPK-OEAKJJBVSA-N -1 0 575.846 6.810 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)c(C)c1 ZINC000408810704 1069964463 /nfs/dbraw/zinc/96/44/63/1069964463.db2.gz UPKKHYXMZHOQEE-PCLIKHOPSA-N -1 0 555.428 6.465 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)cc1Cl ZINC000408810698 1069964707 /nfs/dbraw/zinc/96/47/07/1069964707.db2.gz PUYQRUPHKJSJBB-HYARGMPZSA-N -1 0 565.840 7.354 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408810925 1069964730 /nfs/dbraw/zinc/96/47/30/1069964730.db2.gz KQWJAQDUPAPGLV-SRZZPIQSSA-N -1 0 580.391 5.310 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)c(C)c1 ZINC000408811021 1069965419 /nfs/dbraw/zinc/96/54/19/1069965419.db2.gz KTVFANKBTVJVIB-RGVLZGJSSA-N -1 0 529.807 6.509 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)c1C ZINC000408809405 1069962017 /nfs/dbraw/zinc/96/20/17/1069962017.db2.gz LDIFLMUNNOSBQN-PCLIKHOPSA-N -1 0 521.529 5.610 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408809524 1069962147 /nfs/dbraw/zinc/96/21/47/1069962147.db2.gz OFGRSFXEXMVDFU-TWKHWXDSSA-N -1 0 570.601 6.415 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408813827 1069962174 /nfs/dbraw/zinc/96/21/74/1069962174.db2.gz FPUQIDUUMRUJHZ-LZYBPNLTSA-N -1 0 522.816 6.025 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408811986 1069966764 /nfs/dbraw/zinc/96/67/64/1069966764.db2.gz MIMIYKAGRLCDHI-OEAKJJBVSA-N -1 0 504.970 5.601 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408812415 1069968727 /nfs/dbraw/zinc/96/87/27/1069968727.db2.gz LUQNQGORKGHDQB-UDWIEESQSA-N -1 0 569.795 5.135 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408812792 1069969468 /nfs/dbraw/zinc/96/94/68/1069969468.db2.gz TXTKBIBGNIOCTE-DJKKODMXSA-N -1 0 586.782 5.265 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000408816639 1069973301 /nfs/dbraw/zinc/97/33/01/1069973301.db2.gz UFVFBUFUARIJNT-FYJGNVAPSA-N -1 0 539.371 5.416 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408818506 1069976965 /nfs/dbraw/zinc/97/69/65/1069976965.db2.gz XCAHRIGRSPBAII-KEBDBYFISA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O ZINC000408818410 1069976992 /nfs/dbraw/zinc/97/69/92/1069976992.db2.gz VJSCNZANTVUPPA-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408818493 1069977023 /nfs/dbraw/zinc/97/70/23/1069977023.db2.gz VQWUANGAUGQOAH-YBFXNURJSA-N -1 0 511.361 5.556 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408819050 1069978307 /nfs/dbraw/zinc/97/83/07/1069978307.db2.gz WLDNEQFYERIAHR-VXLYETTFSA-N -1 0 501.753 5.892 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408813732 1069978995 /nfs/dbraw/zinc/97/89/95/1069978995.db2.gz YKMJOGKQFHIDBH-LICLKQGHSA-N -1 0 633.782 5.107 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408814257 1069980400 /nfs/dbraw/zinc/98/04/00/1069980400.db2.gz OSGHXOPGBNXFIN-LDADJPATSA-N -1 0 512.305 5.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408814478 1069980596 /nfs/dbraw/zinc/98/05/96/1069980596.db2.gz VQWQOHARBYFFRQ-MFKUBSTISA-N -1 0 599.039 6.232 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408822793 1069984359 /nfs/dbraw/zinc/98/43/59/1069984359.db2.gz MDHZZHYWAQUGSM-MTDXEUNCSA-N -1 0 548.595 5.828 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408823204 1069986574 /nfs/dbraw/zinc/98/65/74/1069986574.db2.gz NBUCNBAWGWFAFX-OGLFTAFQSA-N -1 0 738.284 9.170 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408823263 1069986683 /nfs/dbraw/zinc/98/66/83/1069986683.db2.gz NMXCJQMIJLUPGZ-STBIYBPSSA-N -1 0 711.996 8.397 40 10 KKCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408823184 1069986742 /nfs/dbraw/zinc/98/67/42/1069986742.db2.gz DCKWGPGFQMAXCA-YZSQISJMSA-N -1 0 571.427 6.246 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408823626 1069988290 /nfs/dbraw/zinc/98/82/90/1069988290.db2.gz OBFJFOXBOGUJAV-LQKURTRISA-N -1 0 675.963 7.634 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408823722 1069989063 /nfs/dbraw/zinc/98/90/63/1069989063.db2.gz FZSQJDSXCSNJNS-ITCJCKFQSA-N -1 0 803.551 9.335 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408823834 1069989139 /nfs/dbraw/zinc/98/91/39/1069989139.db2.gz FNBUAZVNALUDPW-RWPZCVJISA-N -1 0 617.485 7.135 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408823727 1069989271 /nfs/dbraw/zinc/98/92/71/1069989271.db2.gz FZSQJDSXCSNJNS-URFBEJBISA-N -1 0 803.551 9.335 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408824110 1069990867 /nfs/dbraw/zinc/99/08/67/1069990867.db2.gz PMJLNVKSMOJFNV-UXHLAJHPSA-N -1 0 667.943 8.080 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OC ZINC000408820908 1069994514 /nfs/dbraw/zinc/99/45/14/1069994514.db2.gz AJDYIFHDPSTCFG-KEBDBYFISA-N -1 0 575.832 6.300 40 10 KKCBRM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408821029 1069995205 /nfs/dbraw/zinc/99/52/05/1069995205.db2.gz BOZZAZSSGLJMQH-WQXJDYIOSA-N -1 0 597.715 7.018 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408820985 1069995272 /nfs/dbraw/zinc/99/52/72/1069995272.db2.gz BCWCKCUKUMZVRO-CIAFOILYSA-N -1 0 565.022 5.618 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408821340 1069997010 /nfs/dbraw/zinc/99/70/10/1069997010.db2.gz GJCJWPLBAXJJPC-STBIYBPSSA-N -1 0 597.067 6.790 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408822225 1070001612 /nfs/dbraw/zinc/00/16/12/1070001612.db2.gz ASNHRUPLPYJIHR-MZJWZYIUSA-N -1 0 648.455 6.735 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408826160 1070002151 /nfs/dbraw/zinc/00/21/51/1070002151.db2.gz BQHSNMHDAOTYOH-JFLMPSFJSA-N -1 0 719.488 6.341 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)c(OC)cc1Cl ZINC000408826484 1070003476 /nfs/dbraw/zinc/00/34/76/1070003476.db2.gz JLCMWZAMSOUASY-VCHYOVAHSA-N -1 0 545.350 5.395 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408826354 1070003528 /nfs/dbraw/zinc/00/35/28/1070003528.db2.gz JGFFVRKIVZOZOM-CWWDPYPLSA-N -1 0 752.311 9.479 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408826442 1070003590 /nfs/dbraw/zinc/00/35/90/1070003590.db2.gz JJLKMSISXFJJPB-RBDDYSFUSA-N -1 0 742.645 8.711 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1Cl ZINC000408827980 1070008233 /nfs/dbraw/zinc/00/82/33/1070008233.db2.gz LFLJLBHGDYTOTC-QXMJJFQKSA-N -1 0 632.160 7.673 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408827963 1070008267 /nfs/dbraw/zinc/00/82/67/1070008267.db2.gz LFALHVAAAWQRIM-RQZCQDPDSA-N -1 0 591.831 5.918 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408827940 1070008351 /nfs/dbraw/zinc/00/83/51/1070008351.db2.gz LDZXQJASUHTUOQ-JFLMPSFJSA-N -1 0 743.381 7.821 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408825215 1070012566 /nfs/dbraw/zinc/01/25/66/1070012566.db2.gz RRPAWTZYQUVDGD-JMIUGGIZSA-N -1 0 607.412 7.273 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408828241 1070009195 /nfs/dbraw/zinc/00/91/95/1070009195.db2.gz DHCYODRIGMHDRB-OEAKJJBVSA-N -1 0 705.343 6.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408824537 1070009593 /nfs/dbraw/zinc/00/95/93/1070009593.db2.gz QWKFHSJRIVKWQK-RBDDYSFUSA-N -1 0 698.194 8.602 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1Br ZINC000408825062 1070010310 /nfs/dbraw/zinc/01/03/10/1070010310.db2.gz RFMOECKCBJQWAR-PWRNKBSVSA-N -1 0 676.611 7.780 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(Cl)c3)C2=O)c(OC)cc1Cl ZINC000408825006 1070011005 /nfs/dbraw/zinc/01/10/05/1070011005.db2.gz IRCMOFXTRIKLDO-WOJGMQOQSA-N -1 0 527.360 5.256 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408825003 1070011208 /nfs/dbraw/zinc/01/12/08/1070011208.db2.gz IQOOOYDWPNOIDI-VFKNEVJASA-N -1 0 759.100 9.226 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408829756 1070016616 /nfs/dbraw/zinc/01/66/16/1070016616.db2.gz OTEDIDJJDYJLLS-SVIFBFQDSA-N -1 0 690.756 7.718 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408825486 1070013391 /nfs/dbraw/zinc/01/33/91/1070013391.db2.gz ILXPRMYXTVDIFV-BIZUNTBRSA-N -1 0 677.551 7.744 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2Br)cc1 ZINC000408828841 1070014981 /nfs/dbraw/zinc/01/49/81/1070014981.db2.gz MIQNETJPSDMKDW-ZDLGFXPLSA-N -1 0 593.783 6.675 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408831989 1070022072 /nfs/dbraw/zinc/02/20/72/1070022072.db2.gz QOJCHIBHQGZXIS-VFKNEVJASA-N -1 0 801.681 8.423 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408830526 1070017909 /nfs/dbraw/zinc/01/79/09/1070017909.db2.gz PQBIGDCAUAKDPO-ITWCPLIFSA-N -1 0 786.698 9.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408830310 1070017966 /nfs/dbraw/zinc/01/79/66/1070017966.db2.gz PGKHXOUOCKJTSH-CVKSISIWSA-N -1 0 696.779 7.689 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408832672 1070024025 /nfs/dbraw/zinc/02/40/25/1070024025.db2.gz IGBQOFOGNKRCRA-HCQBLUPESA-N -1 0 764.709 10.270 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408828503 1070025880 /nfs/dbraw/zinc/02/58/80/1070025880.db2.gz MORJBZOTPAMIAN-YZSQISJMSA-N -1 0 583.984 6.073 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2Cl)c1 ZINC000408836694 1070027341 /nfs/dbraw/zinc/02/73/41/1070027341.db2.gz UKUXUEZPGBTRLE-ZDLGFXPLSA-N -1 0 549.332 6.566 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408836592 1070027768 /nfs/dbraw/zinc/02/77/68/1070027768.db2.gz STJVKYWFTIFGOY-ZSQXNVASSA-N -1 0 749.094 9.770 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2Br)c1 ZINC000408836767 1070028427 /nfs/dbraw/zinc/02/84/27/1070028427.db2.gz VHTKKZBYCYAJJX-VULFUBBASA-N -1 0 666.355 7.889 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408836982 1070028927 /nfs/dbraw/zinc/02/89/27/1070028927.db2.gz XKQYAQDGXOLELS-LPYMAVHISA-N -1 0 599.865 6.145 40 10 KKCBRM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408837064 1070028999 /nfs/dbraw/zinc/02/89/99/1070028999.db2.gz YLWBPHRRWNDLSM-RGVLZGJSSA-N -1 0 531.779 5.901 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408833979 1070032110 /nfs/dbraw/zinc/03/21/10/1070032110.db2.gz KSCDSMHTZZSWGF-XEKZJJGPSA-N -1 0 879.795 10.275 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408834286 1070032787 /nfs/dbraw/zinc/03/27/87/1070032787.db2.gz UVNTYDQFOUDYNK-AFUMVMLFSA-N -1 0 648.455 6.735 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Cl ZINC000408834778 1070034886 /nfs/dbraw/zinc/03/48/86/1070034886.db2.gz LVKCFDFELBILLX-MTJSOVHGSA-N -1 0 599.392 7.719 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408835924 1070038925 /nfs/dbraw/zinc/03/89/25/1070038925.db2.gz YWUULEWLSWHJCK-STBIYBPSSA-N -1 0 583.040 6.481 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Br)cc1C ZINC000408835865 1070039084 /nfs/dbraw/zinc/03/90/84/1070039084.db2.gz YMRQAIHEJGJGBF-LQKURTRISA-N -1 0 645.937 7.544 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)c(OC)cc1Cl ZINC000408835751 1070038312 /nfs/dbraw/zinc/03/83/12/1070038312.db2.gz YFXUPVSBZLXXIQ-RQZCQDPDSA-N -1 0 572.357 5.164 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408835660 1070038502 /nfs/dbraw/zinc/03/85/02/1070038502.db2.gz XVGMEACYCFMPRV-MZDGODTKSA-N -1 0 793.545 9.879 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 ZINC000408844549 1070050438 /nfs/dbraw/zinc/05/04/38/1070050438.db2.gz KERPCXSUSQMWTQ-BUVRLJJBSA-N -1 0 501.583 5.175 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4cccc5ccccc54)cc3Br)C2=O)c1 ZINC000408846240 1070053225 /nfs/dbraw/zinc/05/32/25/1070053225.db2.gz HWXHHJHVSFDRNU-MFKUBSTISA-N -1 0 645.506 6.654 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408846933 1070055047 /nfs/dbraw/zinc/05/50/47/1070055047.db2.gz OGALTJWMFVHZRV-WSDLNYQXSA-N -1 0 671.260 6.591 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccccc1F ZINC000408852923 1070060404 /nfs/dbraw/zinc/06/04/04/1070060404.db2.gz JSFNSHHKDCXNBM-SFQUDFHCSA-N -1 0 545.419 5.942 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408853042 1070060569 /nfs/dbraw/zinc/06/05/69/1070060569.db2.gz KUHNZLMZEKYFBL-LICLKQGHSA-N -1 0 518.853 6.194 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408853230 1070061040 /nfs/dbraw/zinc/06/10/40/1070061040.db2.gz MMZZRYFLVPXBOH-ZIDJIXLXSA-N -1 0 528.649 6.007 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1C ZINC000408843264 1070057644 /nfs/dbraw/zinc/05/76/44/1070057644.db2.gz FENPMQCHNRDGFZ-KEBDBYFISA-N -1 0 665.709 6.569 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408852018 1070058830 /nfs/dbraw/zinc/05/88/30/1070058830.db2.gz PQJNIJLRQLJEFY-LDADJPATSA-N -1 0 572.426 5.711 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408849959 1070063675 /nfs/dbraw/zinc/06/36/75/1070063675.db2.gz BSNRWODQDISXPP-LICLKQGHSA-N -1 0 653.325 6.325 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408850523 1070064273 /nfs/dbraw/zinc/06/42/73/1070064273.db2.gz BJCZDJSMCPRCJB-DEDYPNTBSA-N -1 0 563.466 5.727 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408857852 1070068598 /nfs/dbraw/zinc/06/85/98/1070068598.db2.gz PGLTXVCWLBGKNA-REZTVBANSA-N -1 0 573.758 5.216 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1C ZINC000408854825 1070073333 /nfs/dbraw/zinc/07/33/33/1070073333.db2.gz JSHDWSNNPYIOCB-KEBDBYFISA-N -1 0 757.160 6.521 40 10 KKCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408854884 1070073377 /nfs/dbraw/zinc/07/33/77/1070073377.db2.gz AULVDBAVLGOJJS-JLHYYAGUSA-N -1 0 527.271 5.433 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408854845 1070073464 /nfs/dbraw/zinc/07/34/64/1070073464.db2.gz AEPFIPAXPOJXMY-MHWRWJLKSA-N -1 0 547.847 6.066 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1C ZINC000408855065 1070073758 /nfs/dbraw/zinc/07/37/58/1070073758.db2.gz CZNNQJJFDFVODH-LZYBPNLTSA-N -1 0 500.294 5.445 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408858899 1070080667 /nfs/dbraw/zinc/08/06/67/1070080667.db2.gz UIYBBVGGKWQJNZ-CXUHLZMHSA-N -1 0 749.195 6.921 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1C ZINC000408858978 1070080761 /nfs/dbraw/zinc/08/07/61/1070080761.db2.gz UUKRDZLCMFLIIP-ZVHZXABRSA-N -1 0 526.980 5.217 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408865852 1070084349 /nfs/dbraw/zinc/08/43/49/1070084349.db2.gz DZAZENZRGVGCRE-CAOOACKPSA-N -1 0 625.221 6.003 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408865112 1070082241 /nfs/dbraw/zinc/08/22/41/1070082241.db2.gz BBKSZPOUOBHKTJ-JVWAILMASA-N -1 0 601.486 7.228 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408868854 1070090251 /nfs/dbraw/zinc/09/02/51/1070090251.db2.gz QFKFOIPWXINOSC-AFUMVMLFSA-N -1 0 517.025 6.230 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408869148 1070090920 /nfs/dbraw/zinc/09/09/20/1070090920.db2.gz RGRKEWCFXDCSSI-LPYMAVHISA-N -1 0 508.933 5.144 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408870446 1070094000 /nfs/dbraw/zinc/09/40/00/1070094000.db2.gz DSRWDDJDBBCNFD-ODLFYWEKSA-N -1 0 562.272 6.166 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408870024 1070092851 /nfs/dbraw/zinc/09/28/51/1070092851.db2.gz UYFNCZAPZKDPBR-SSDVNMTOSA-N -1 0 523.416 6.184 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408870839 1070094772 /nfs/dbraw/zinc/09/47/72/1070094772.db2.gz XRHAGZYGBJOEAS-ZDLGFXPLSA-N -1 0 653.325 6.407 40 10 KKCBRM COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1=O ZINC000408872438 1070097266 /nfs/dbraw/zinc/09/72/66/1070097266.db2.gz NJJZVKWNELKFPQ-JJFYIABZSA-N -1 0 573.549 5.495 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Cl ZINC000408872783 1070097973 /nfs/dbraw/zinc/09/79/73/1070097973.db2.gz ISKYDKHSWPJFCM-QGOAFFKASA-N -1 0 530.205 6.013 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408872817 1070098664 /nfs/dbraw/zinc/09/86/64/1070098664.db2.gz JGSVNVCYWYPAML-LPYMAVHISA-N -1 0 551.412 5.861 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408875357 1070102432 /nfs/dbraw/zinc/10/24/32/1070102432.db2.gz DTPLNUQSIZBOLD-FSJBWODESA-N -1 0 523.416 6.266 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Br)c1 ZINC000408880587 1070108821 /nfs/dbraw/zinc/10/88/21/1070108821.db2.gz ILKUFAMWPNNPRE-XDHOZWIPSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408880055 1070104851 /nfs/dbraw/zinc/10/48/51/1070104851.db2.gz GTMYMLONNKREGG-RCCKNPSSSA-N -1 0 521.367 5.093 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408880007 1070104890 /nfs/dbraw/zinc/10/48/90/1070104890.db2.gz IEJMFYITMLFXTI-NDENLUEZSA-N -1 0 584.435 5.019 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)c1 ZINC000408880076 1070105746 /nfs/dbraw/zinc/10/57/46/1070105746.db2.gz IVPCOKVKEHFFLQ-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000408880479 1070107327 /nfs/dbraw/zinc/10/73/27/1070107327.db2.gz KDBOXCOGTGAOQL-NLRVBDNBSA-N -1 0 522.532 5.650 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408875960 1070108695 /nfs/dbraw/zinc/10/86/95/1070108695.db2.gz IFDUFCQJRJMHKJ-KEBDBYFISA-N -1 0 588.285 6.720 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1ccccc1Br ZINC000408876811 1070110414 /nfs/dbraw/zinc/11/04/14/1070110414.db2.gz OAMGUCXRIOTQOZ-HYARGMPZSA-N -1 0 519.395 5.413 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408876959 1070111364 /nfs/dbraw/zinc/11/13/64/1070111364.db2.gz RJCFCBVTGRFPEJ-ZHZULCJRSA-N -1 0 535.358 6.531 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3Br)C2=O)c1C ZINC000408878474 1070115232 /nfs/dbraw/zinc/11/52/32/1070115232.db2.gz BCDJTQKEILOJDO-KGENOOAVSA-N -1 0 568.265 6.086 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408879042 1070115964 /nfs/dbraw/zinc/11/59/64/1070115964.db2.gz FALXYAIRIZNDMY-OVVQPSECSA-N -1 0 522.532 5.650 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408884423 1070118530 /nfs/dbraw/zinc/11/85/30/1070118530.db2.gz XAVNJQVEUXRWJJ-BKUYFWCQSA-N -1 0 567.411 5.795 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)cc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000408884800 1070119264 /nfs/dbraw/zinc/11/92/64/1070119264.db2.gz ZTUPSNOXYJSSTP-MOSHPQCFSA-N -1 0 525.388 5.810 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408884685 1070119292 /nfs/dbraw/zinc/11/92/92/1070119292.db2.gz YCRNSRYOFFJQDZ-UDWIEESQSA-N -1 0 664.328 5.353 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408884874 1070120228 /nfs/dbraw/zinc/12/02/28/1070120228.db2.gz YVNGCKRQNJOKBF-RQZCQDPDSA-N -1 0 563.796 6.430 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc32)C1=O ZINC000408884810 1070120249 /nfs/dbraw/zinc/12/02/49/1070120249.db2.gz ZZVMXOGSZHOLRX-KQWNVCNZSA-N -1 0 545.422 6.954 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)c(C)c1 ZINC000408885488 1070120914 /nfs/dbraw/zinc/12/09/14/1070120914.db2.gz ATGJNKAWEWZFLQ-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408880825 1070122462 /nfs/dbraw/zinc/12/24/62/1070122462.db2.gz KZGKGULZZLOTAJ-WOJGMQOQSA-N -1 0 695.735 6.660 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408883146 1070128521 /nfs/dbraw/zinc/12/85/21/1070128521.db2.gz TUDPHYQHGRUZLO-VCHYOVAHSA-N -1 0 556.756 5.256 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408888240 1070129259 /nfs/dbraw/zinc/12/92/59/1070129259.db2.gz UIJRQEQKBIEIKF-FYJGNVAPSA-N -1 0 658.420 5.251 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408883004 1070127727 /nfs/dbraw/zinc/12/77/27/1070127727.db2.gz PXXKTHXJQSWIGY-YBFXNURJSA-N -1 0 586.813 5.519 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Br ZINC000408882825 1070127749 /nfs/dbraw/zinc/12/77/49/1070127749.db2.gz PANHVQQPEYMARV-DEDYPNTBSA-N -1 0 556.210 5.174 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)cc1 ZINC000408889501 1070131766 /nfs/dbraw/zinc/13/17/66/1070131766.db2.gz DFJDTAJAJDYXAG-XDHOZWIPSA-N -1 0 570.237 5.765 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408891509 1070135498 /nfs/dbraw/zinc/13/54/98/1070135498.db2.gz RRBXCULADYIWQU-DEDYPNTBSA-N -1 0 569.795 5.135 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000408886650 1070136363 /nfs/dbraw/zinc/13/63/63/1070136363.db2.gz KZNNZQATBTUTAN-UNOMPAQXSA-N -1 0 616.839 5.761 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408886682 1070136458 /nfs/dbraw/zinc/13/64/58/1070136458.db2.gz IFKIDIOKZGRERI-CXUHLZMHSA-N -1 0 536.198 6.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408886268 1070136580 /nfs/dbraw/zinc/13/65/80/1070136580.db2.gz JHGSCIKGVWXXLR-KGENOOAVSA-N -1 0 504.970 5.601 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408887257 1070137982 /nfs/dbraw/zinc/13/79/82/1070137982.db2.gz PBBZJVSHFDBRGV-UDWIEESQSA-N -1 0 628.317 6.473 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408892539 1070138138 /nfs/dbraw/zinc/13/81/38/1070138138.db2.gz BWRVYEMJPXWGHQ-SFQUDFHCSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408887226 1070138192 /nfs/dbraw/zinc/13/81/92/1070138192.db2.gz MWIFFVZDLLQYMP-GIJQJNRQSA-N -1 0 529.351 5.695 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1Br ZINC000408887828 1070139521 /nfs/dbraw/zinc/13/95/21/1070139521.db2.gz RMTMBGVGCXVXCY-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)cc1 ZINC000408893600 1070140352 /nfs/dbraw/zinc/14/03/52/1070140352.db2.gz GGHPXFVLZFMDQZ-DEDYPNTBSA-N -1 0 556.210 5.457 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408894326 1070142896 /nfs/dbraw/zinc/14/28/96/1070142896.db2.gz CBLIVMDWDFDZAQ-QJOMJCCJSA-N -1 0 549.421 5.873 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)c1 ZINC000408894935 1070145297 /nfs/dbraw/zinc/14/52/97/1070145297.db2.gz SJJFAFOTHWRKPJ-DEDYPNTBSA-N -1 0 570.237 5.765 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)ccc1Br ZINC000408896626 1070151019 /nfs/dbraw/zinc/15/10/19/1070151019.db2.gz GRLMYMJTKZVQMB-HAHDFKILSA-N -1 0 575.846 6.810 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408896002 1070148571 /nfs/dbraw/zinc/14/85/71/1070148571.db2.gz GIUZPIRPAQYYEK-MYYYXRDXSA-N -1 0 607.501 6.499 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408892256 1070153580 /nfs/dbraw/zinc/15/35/80/1070153580.db2.gz AFCKDULOLZNKCH-YDZHTSKRSA-N -1 0 579.447 5.719 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408893501 1070156040 /nfs/dbraw/zinc/15/60/40/1070156040.db2.gz GOEVGCHVMSUQQT-BOPFTXTBSA-N -1 0 557.347 5.371 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408900037 1070161017 /nfs/dbraw/zinc/16/10/17/1070161017.db2.gz WVENAVUBFJWQDE-BKUYFWCQSA-N -1 0 580.391 5.310 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000408899385 1070157623 /nfs/dbraw/zinc/15/76/23/1070157623.db2.gz UDOFKUYPJSWMAM-MFOYZWKCSA-N -1 0 639.127 7.072 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408899367 1070157843 /nfs/dbraw/zinc/15/78/43/1070157843.db2.gz OUPFUUHKCZSSNT-OYKKKHCWSA-N -1 0 640.474 5.951 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408899560 1070158468 /nfs/dbraw/zinc/15/84/68/1070158468.db2.gz QIWOFXHJLUHHJU-WPWMEQJKSA-N -1 0 506.558 5.711 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408900105 1070161806 /nfs/dbraw/zinc/16/18/06/1070161806.db2.gz XAONJYSOAZGQPX-ODLFYWEKSA-N -1 0 590.257 6.318 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408900335 1070162544 /nfs/dbraw/zinc/16/25/44/1070162544.db2.gz RZSWXCSBRKSZRA-HMAPJEAMSA-N -1 0 597.437 6.021 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)c1 ZINC000408900836 1070165091 /nfs/dbraw/zinc/16/50/91/1070165091.db2.gz XYQGNDCJODWEJR-UDWIEESQSA-N -1 0 509.331 5.142 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408901147 1070166821 /nfs/dbraw/zinc/16/68/21/1070166821.db2.gz WHXVZNDSTUTHFM-HMAPJEAMSA-N -1 0 644.437 5.863 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O[C@H](C)CC ZINC000408901172 1070166862 /nfs/dbraw/zinc/16/68/62/1070166862.db2.gz WPGHPVXMVQYRNZ-VGSSETLESA-N -1 0 568.795 5.187 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)c1 ZINC000408897189 1070170783 /nfs/dbraw/zinc/17/07/83/1070170783.db2.gz ICPIJCMAIDYRAM-UCQKPKSFSA-N -1 0 519.395 5.620 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408901295 1070167709 /nfs/dbraw/zinc/16/77/09/1070167709.db2.gz WXHNTTKFUXWBSH-ODLFYWEKSA-N -1 0 648.735 6.818 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408901437 1070167748 /nfs/dbraw/zinc/16/77/48/1070167748.db2.gz YASBVSKJYGVGBA-JLPGSUDCSA-N -1 0 522.960 5.903 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408897812 1070172304 /nfs/dbraw/zinc/17/23/04/1070172304.db2.gz UDKKTLKYIGDBPK-VCHYOVAHSA-N -1 0 654.322 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408901650 1070169310 /nfs/dbraw/zinc/16/93/10/1070169310.db2.gz ZKWJAFYRZSMZCM-LPYMAVHISA-N -1 0 592.446 5.149 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408898807 1070176144 /nfs/dbraw/zinc/17/61/44/1070176144.db2.gz MSWCVYMNHZNFTC-NDENLUEZSA-N -1 0 678.355 5.661 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408897963 1070173215 /nfs/dbraw/zinc/17/32/15/1070173215.db2.gz JWINZIFZTQRHLB-HAHDFKILSA-N -1 0 579.447 5.882 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408898354 1070174700 /nfs/dbraw/zinc/17/47/00/1070174700.db2.gz LNXSMDLCNNQJGI-JLPGSUDCSA-N -1 0 500.551 5.038 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)c1 ZINC000408898609 1070174813 /nfs/dbraw/zinc/17/48/13/1070174813.db2.gz XKCFJLJZNYJFBT-WPWMEQJKSA-N -1 0 504.586 6.319 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408902608 1070184160 /nfs/dbraw/zinc/18/41/60/1070184160.db2.gz KZZGWNBVTMHFGT-OEAKJJBVSA-N -1 0 535.358 6.531 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408910400 1070201390 /nfs/dbraw/zinc/20/13/90/1070201390.db2.gz JZVUGTHABAOQAI-QGMBQPNBSA-N -1 0 564.194 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408915524 1070216755 /nfs/dbraw/zinc/21/67/55/1070216755.db2.gz WZXOIRILWOWQRH-OMCISZLKSA-N -1 0 643.090 6.903 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408916313 1070219563 /nfs/dbraw/zinc/21/95/63/1070219563.db2.gz BQTSKKQRCYZVJS-AUWJEWJLSA-N -1 0 506.298 5.132 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408935538 1070273408 /nfs/dbraw/zinc/27/34/08/1070273408.db2.gz HRRBSJBHAWUNKL-PXNMLYILSA-N -1 0 599.776 6.920 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1O ZINC000408937741 1070292733 /nfs/dbraw/zinc/29/27/33/1070292733.db2.gz OJPNTKMBFVBLSD-RGVLZGJSSA-N -1 0 571.811 5.452 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408937838 1070292939 /nfs/dbraw/zinc/29/29/39/1070292939.db2.gz PFZRXWKDXIYTDL-PXNMLYILSA-N -1 0 583.321 6.405 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000408937729 1070292843 /nfs/dbraw/zinc/29/28/43/1070292843.db2.gz OIDRATOKVNPMRR-OEAKJJBVSA-N -1 0 550.920 6.757 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408938113 1070294439 /nfs/dbraw/zinc/29/44/39/1070294439.db2.gz KJOIBAINVDIGDR-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408948751 1070313542 /nfs/dbraw/zinc/31/35/42/1070313542.db2.gz GHDACSQPTPSBBX-DHRITJCHSA-N -1 0 572.017 6.642 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408948783 1070313607 /nfs/dbraw/zinc/31/36/07/1070313607.db2.gz GROXJJAREZOKTL-GIJQJNRQSA-N -1 0 646.821 5.317 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000408954581 1070318130 /nfs/dbraw/zinc/31/81/30/1070318130.db2.gz RQYQTJFLGDVVPS-KEBDBYFISA-N -1 0 511.441 5.645 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OC ZINC000408955253 1070319076 /nfs/dbraw/zinc/31/90/76/1070319076.db2.gz 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ZINC000408963821 1070329660 /nfs/dbraw/zinc/32/96/60/1070329660.db2.gz AHKNUUPGMVWOBA-LPYMAVHISA-N -1 0 515.367 5.071 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1Cl ZINC000408968292 1070333483 /nfs/dbraw/zinc/33/34/83/1070333483.db2.gz XYSPLTXQPMLAQD-XNTDXEJSSA-N -1 0 519.337 5.010 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1 ZINC000408982134 1070339503 /nfs/dbraw/zinc/33/95/03/1070339503.db2.gz GFCFRNZWNMTOMA-OYKKKHCWSA-N -1 0 634.324 7.173 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(I)c3)C2=O)cc1 ZINC000408983318 1070342888 /nfs/dbraw/zinc/34/28/88/1070342888.db2.gz LIYOZDGRLXFJRX-HMAPJEAMSA-N -1 0 566.395 5.407 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)c(C(=O)[O-])c4)C3=O)o2)cc1 ZINC000408985030 1070345154 /nfs/dbraw/zinc/34/51/54/1070345154.db2.gz KOBOWACURJOMHO-RCCKNPSSSA-N -1 0 525.944 6.556 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408985529 1070346287 /nfs/dbraw/zinc/34/62/87/1070346287.db2.gz XFSDLQYWBFNZCE-NVMNQCDNSA-N -1 0 573.802 5.804 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5ccc(C)cc5C)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408989420 1070354002 /nfs/dbraw/zinc/35/40/02/1070354002.db2.gz HRGLWVVHKXBSCD-XDHOZWIPSA-N -1 0 590.708 6.203 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)cc1Cl ZINC000408984450 1070352597 /nfs/dbraw/zinc/35/25/97/1070352597.db2.gz RFVQZAJIPVFUGA-FMQZQXMHSA-N -1 0 604.240 6.038 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000408984677 1070353233 /nfs/dbraw/zinc/35/32/33/1070353233.db2.gz SLBZMWXOXGNYMC-WSVATBPTSA-N -1 0 646.821 5.236 40 10 KKCBRM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)o3)sc2c1 ZINC000408990676 1070356718 /nfs/dbraw/zinc/35/67/18/1070356718.db2.gz LIONMSIHNAFGSE-RCCKNPSSSA-N -1 0 608.682 5.672 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C2=O)cc1 ZINC000408989164 1070362044 /nfs/dbraw/zinc/36/20/44/1070362044.db2.gz SJDYDXQAVKZABS-MWAVMZGNSA-N -1 0 572.064 7.694 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408996400 1070365851 /nfs/dbraw/zinc/36/58/51/1070365851.db2.gz IBUANRXYJZQGLZ-MHWRWJLKSA-N -1 0 503.761 5.513 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc3ccccc3c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000409002739 1070379568 /nfs/dbraw/zinc/37/95/68/1070379568.db2.gz POHCYCUEFVRGER-DEDYPNTBSA-N -1 0 535.444 6.178 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)s3)C2=O)c(OC)c1 ZINC000409023526 1070401504 /nfs/dbraw/zinc/40/15/04/1070401504.db2.gz GMTBLVYXXMRROO-SFQUDFHCSA-N -1 0 500.985 5.236 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409039324 1070430606 /nfs/dbraw/zinc/43/06/06/1070430606.db2.gz COKQLPQFHCBLEW-CAOOACKPSA-N -1 0 550.225 6.854 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000409040576 1070436345 /nfs/dbraw/zinc/43/63/45/1070436345.db2.gz GTCKIDYXPYBDDJ-RGVLZGJSSA-N -1 0 620.681 6.119 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409041521 1070445191 /nfs/dbraw/zinc/44/51/91/1070445191.db2.gz JWGWLCZLPPAYLS-CVKSISIWSA-N -1 0 680.324 7.175 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409042748 1070447412 /nfs/dbraw/zinc/44/74/12/1070447412.db2.gz ORXXIJNQJWMZBA-GIJQJNRQSA-N -1 0 512.305 5.147 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409043144 1070448876 /nfs/dbraw/zinc/44/88/76/1070448876.db2.gz QABCNGPBCLUQDX-GIJQJNRQSA-N -1 0 635.652 6.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409043653 1070449654 /nfs/dbraw/zinc/44/96/54/1070449654.db2.gz SQWUPUKKVYXKTA-GIJQJNRQSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409045622 1070454643 /nfs/dbraw/zinc/45/46/43/1070454643.db2.gz GTCAGUZDQSSUNK-CAOOACKPSA-N -1 0 635.652 6.019 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409046153 1070455286 /nfs/dbraw/zinc/45/52/86/1070455286.db2.gz JCFXSKNWAXCUTM-VXLYETTFSA-N -1 0 602.858 6.038 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1 ZINC000409046123 1070455327 /nfs/dbraw/zinc/45/53/27/1070455327.db2.gz IRTIWYAJPNGMHK-FYJGNVAPSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000409047746 1070460293 /nfs/dbraw/zinc/46/02/93/1070460293.db2.gz MYVXLSFNLDKDRI-RGVLZGJSSA-N -1 0 618.253 5.995 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1 ZINC000409049520 1070462901 /nfs/dbraw/zinc/46/29/01/1070462901.db2.gz WASMYSLAFSVGOJ-DJKKODMXSA-N -1 0 615.234 5.674 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409049238 1070462958 /nfs/dbraw/zinc/46/29/58/1070462958.db2.gz VUUXWWWNPKICID-GIJQJNRQSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409049077 1070462972 /nfs/dbraw/zinc/46/29/72/1070462972.db2.gz VYMQLLIZHKBWFQ-DJKKODMXSA-N -1 0 546.750 5.800 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409058735 1070471403 /nfs/dbraw/zinc/47/14/03/1070471403.db2.gz STKIMIGNSVGXNF-CIAFOILYSA-N -1 0 657.315 5.603 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1C ZINC000409054385 1070475065 /nfs/dbraw/zinc/47/50/65/1070475065.db2.gz FTBQGUWBRHSHSN-AFUMVMLFSA-N -1 0 545.422 7.009 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065984 1070482482 /nfs/dbraw/zinc/48/24/82/1070482482.db2.gz JPMHWRAWAKDAEY-VCHYOVAHSA-N -1 0 586.236 5.734 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069568 1070494842 /nfs/dbraw/zinc/49/48/42/1070494842.db2.gz VYVIBGOPWHSUNM-YBFXNURJSA-N -1 0 623.840 5.074 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409071453 1070497118 /nfs/dbraw/zinc/49/71/18/1070497118.db2.gz RKECTYRRBZRHJK-CAOOACKPSA-N -1 0 689.165 6.261 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409072595 1070499238 /nfs/dbraw/zinc/49/92/38/1070499238.db2.gz TTYSVRYJDFOKGM-GZTJUZNOSA-N -1 0 596.242 5.190 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000409073400 1070499852 /nfs/dbraw/zinc/49/98/52/1070499852.db2.gz HLAVNOJGZLKMEX-VCHYOVAHSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409080099 1070502043 /nfs/dbraw/zinc/50/20/43/1070502043.db2.gz HTTQRLAHABXOCG-VIZOYTHASA-N -1 0 622.171 6.031 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409080874 1070503229 /nfs/dbraw/zinc/50/32/29/1070503229.db2.gz OFJIOKBYYYSCJT-XDHOZWIPSA-N -1 0 620.334 6.234 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081961 1070505407 /nfs/dbraw/zinc/50/54/07/1070505407.db2.gz REAXYHYPYYESMI-YDZHTSKRSA-N -1 0 759.431 7.265 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409085755 1070512478 /nfs/dbraw/zinc/51/24/78/1070512478.db2.gz ZCVAMEGAFGDPHP-LZYBPNLTSA-N -1 0 617.752 5.386 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087518 1070520719 /nfs/dbraw/zinc/52/07/19/1070520719.db2.gz URCBECFLGJNKMU-VIZOYTHASA-N -1 0 713.224 6.272 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)[N-]C1=S ZINC000409105460 1070540032 /nfs/dbraw/zinc/54/00/32/1070540032.db2.gz JWRUKPKUWKFXSM-DEDYPNTBSA-N -1 0 543.895 6.393 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409129908 1070556730 /nfs/dbraw/zinc/55/67/30/1070556730.db2.gz MQCREJTUVVBSTI-FYJGNVAPSA-N -1 0 742.826 6.092 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409146668 1070573853 /nfs/dbraw/zinc/57/38/53/1070573853.db2.gz SBTMOJSCRLDZAN-HZHRSRAPSA-N -1 0 528.406 5.672 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185116 1070604804 /nfs/dbraw/zinc/60/48/04/1070604804.db2.gz JJRUTRFQLCYPBT-QICITKFESA-N -1 0 638.702 5.702 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190208 1070606960 /nfs/dbraw/zinc/60/69/60/1070606960.db2.gz PUZTWSUUGXJSBO-ZVHZXABRSA-N -1 0 716.423 7.039 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186413 1070607031 /nfs/dbraw/zinc/60/70/31/1070607031.db2.gz BTYGNIGRBBAJPA-GIJQJNRQSA-N -1 0 641.168 6.929 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1OCC ZINC000409191681 1070609202 /nfs/dbraw/zinc/60/92/02/1070609202.db2.gz KPIWIEMQVNDMSE-ZXVVBBHZSA-N -1 0 582.628 6.407 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192552 1070610576 /nfs/dbraw/zinc/61/05/76/1070610576.db2.gz DWQFVDYBCZICQI-BUVRLJJBSA-N -1 0 579.049 5.777 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409223356 1070650185 /nfs/dbraw/zinc/65/01/85/1070650185.db2.gz FKELBRRFEVBLJS-PCLIKHOPSA-N -1 0 560.050 6.297 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409228104 1070645506 /nfs/dbraw/zinc/64/55/06/1070645506.db2.gz ZZBDLPIIBSUWPA-CIAFOILYSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409224261 1070651839 /nfs/dbraw/zinc/65/18/39/1070651839.db2.gz JNQGWUCTHDLBQX-WPWMEQJKSA-N -1 0 640.490 6.020 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409231985 1070657676 /nfs/dbraw/zinc/65/76/76/1070657676.db2.gz GMZHUOFODMYPPF-DEDYPNTBSA-N -1 0 549.439 5.418 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409233701 1070659151 /nfs/dbraw/zinc/65/91/51/1070659151.db2.gz HKWCEYUVIWASFG-OEAKJJBVSA-N -1 0 510.575 5.046 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409254862 1070673427 /nfs/dbraw/zinc/67/34/27/1070673427.db2.gz JGRLKJGTDJGVQR-SXGWCWSVSA-N -1 0 678.677 5.457 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409258886 1070680476 /nfs/dbraw/zinc/68/04/76/1070680476.db2.gz WHTMKHRDASBALF-NDENLUEZSA-N -1 0 613.262 5.204 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409257303 1070677600 /nfs/dbraw/zinc/67/76/00/1070677600.db2.gz PXPSQNZYEBFIOP-OCKHKDLRSA-N -1 0 705.743 5.644 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1C ZINC000409257545 1070677654 /nfs/dbraw/zinc/67/76/54/1070677654.db2.gz SSDUBNPOCKDSRG-XKZIYDEJSA-N -1 0 576.447 5.367 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258092 1070679088 /nfs/dbraw/zinc/67/90/88/1070679088.db2.gz TVHHUEALERLEIW-JMIUGGIZSA-N -1 0 628.863 5.199 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1C ZINC000409266255 1070690256 /nfs/dbraw/zinc/69/02/56/1070690256.db2.gz QBUSXZMJEHMLNH-JAIQZWGSSA-N -1 0 643.288 5.218 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409252820 1070684607 /nfs/dbraw/zinc/68/46/07/1070684607.db2.gz DZZBLWVROYYHPL-YBFXNURJSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000409262026 1070698421 /nfs/dbraw/zinc/69/84/21/1070698421.db2.gz BYFSOFCWFGIAID-JAIQZWGSSA-N -1 0 572.832 5.948 40 10 KKCBRM CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)c1 ZINC000409271189 1070707835 /nfs/dbraw/zinc/70/78/35/1070707835.db2.gz JULCVWHRZMIPEX-WSDLNYQXSA-N -1 0 521.620 5.189 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408880392 1070788111 /nfs/dbraw/zinc/78/81/11/1070788111.db2.gz HPBVEUQLQSGSNC-YBFXNURJSA-N -1 0 663.262 5.316 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C1=O ZINC000408880348 1070788278 /nfs/dbraw/zinc/78/82/78/1070788278.db2.gz IMYOXYTWTXTJCI-MOSHPQCFSA-N -1 0 584.264 6.019 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408880419 1070788910 /nfs/dbraw/zinc/78/89/10/1070788910.db2.gz JTJYPDRMVYFSRN-WSDLNYQXSA-N -1 0 596.421 5.470 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408880180 1070789822 /nfs/dbraw/zinc/78/98/22/1070789822.db2.gz GJDXOXQHLYVFSD-HYARGMPZSA-N -1 0 507.359 5.408 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Cc3ccccc3Br)c(OC)c2)C1=O ZINC000408879977 1070790586 /nfs/dbraw/zinc/79/05/86/1070790586.db2.gz IANYFXMLYZEROR-NDENLUEZSA-N -1 0 598.291 6.040 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408879883 1070791898 /nfs/dbraw/zinc/79/18/98/1070791898.db2.gz FWKSQSUKENWAFW-KGENOOAVSA-N -1 0 539.371 5.416 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408879843 1070792149 /nfs/dbraw/zinc/79/21/49/1070792149.db2.gz FSFORGWBXMHJPC-XDHOZWIPSA-N -1 0 525.344 5.025 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408878164 1070800917 /nfs/dbraw/zinc/80/09/17/1070800917.db2.gz XHCMKOQECBAUEX-SRZZPIQSSA-N -1 0 649.312 6.871 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Cc2ccccc2Br)c1 ZINC000408879576 1070794242 /nfs/dbraw/zinc/79/42/42/1070794242.db2.gz BVYHKBSGOQZLAU-PXLXIMEGSA-N -1 0 505.368 5.023 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408879106 1070796111 /nfs/dbraw/zinc/79/61/11/1070796111.db2.gz AUJGEIFEUYPNIH-WOJGMQOQSA-N -1 0 621.258 6.254 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408878744 1070797434 /nfs/dbraw/zinc/79/74/34/1070797434.db2.gz BOFCYLPJLDCUBX-WSDLNYQXSA-N -1 0 593.430 5.107 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408878411 1070800312 /nfs/dbraw/zinc/80/03/12/1070800312.db2.gz BDRWWTGXCJJHNM-YBFXNURJSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408877832 1070804735 /nfs/dbraw/zinc/80/47/35/1070804735.db2.gz UUYLKJIGIXWFRM-RGVLZGJSSA-N -1 0 665.709 6.363 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000408877823 1070805426 /nfs/dbraw/zinc/80/54/26/1070805426.db2.gz UTCVMKJQJPOCLE-HZHRSRAPSA-N -1 0 503.396 5.632 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408877634 1070805767 /nfs/dbraw/zinc/80/57/67/1070805767.db2.gz WNVFDHAIOZZQAQ-YVLHZVERSA-N -1 0 515.324 5.387 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)ccc1Cc1ccccc1Br ZINC000408877291 1070808546 /nfs/dbraw/zinc/80/85/46/1070808546.db2.gz UZQJDKGTKMUZRU-JCMHNJIXSA-N -1 0 533.422 5.667 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408888530 1070813251 /nfs/dbraw/zinc/81/32/51/1070813251.db2.gz WSZPSBJFSYAZQQ-CIAFOILYSA-N -1 0 596.421 5.470 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408888552 1070813600 /nfs/dbraw/zinc/81/36/00/1070813600.db2.gz WYYPZEHPIMFXOU-JVWAILMASA-N -1 0 692.481 6.653 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408888424 1070813739 /nfs/dbraw/zinc/81/37/39/1070813739.db2.gz ZUVWWFXSCYDMHF-TWKHWXDSSA-N -1 0 633.498 7.427 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408888383 1070813882 /nfs/dbraw/zinc/81/38/82/1070813882.db2.gz ZKOQSYUJMMOZKU-MHWRWJLKSA-N -1 0 515.324 5.387 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408888435 1070814606 /nfs/dbraw/zinc/81/46/06/1070814606.db2.gz VKNOCXCAMMGAFE-MHWRWJLKSA-N -1 0 531.779 5.901 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c(OCc2ccccc2Br)c1 ZINC000408887563 1070819585 /nfs/dbraw/zinc/81/95/85/1070819585.db2.gz RRIRIXWQNLKIQT-LDADJPATSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408887407 1070820097 /nfs/dbraw/zinc/82/00/97/1070820097.db2.gz NZUAMIDMEBQALS-UCQKPKSFSA-N -1 0 624.475 6.115 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408887436 1070820654 /nfs/dbraw/zinc/82/06/54/1070820654.db2.gz QQEGCTZMEDNQRR-WSDLNYQXSA-N -1 0 520.969 5.307 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000408887476 1070821373 /nfs/dbraw/zinc/82/13/73/1070821373.db2.gz QYMSIUWYOSVZGL-CIAFOILYSA-N -1 0 584.264 6.074 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000408896748 1070828494 /nfs/dbraw/zinc/82/84/94/1070828494.db2.gz HUGVCINJGGWVKJ-UNOMPAQXSA-N -1 0 588.227 5.905 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408896839 1070829796 /nfs/dbraw/zinc/82/97/96/1070829796.db2.gz LJBZGGHHDAEIOM-LSCVHKIXSA-N -1 0 669.153 7.081 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)c1C ZINC000408896577 1070829955 /nfs/dbraw/zinc/82/99/55/1070829955.db2.gz OMEFFZLKMDKTHW-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408896667 1070831452 /nfs/dbraw/zinc/83/14/52/1070831452.db2.gz HBIKJEAJUHCWBJ-QQXSKIMKSA-N -1 0 577.077 6.780 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408895834 1070838377 /nfs/dbraw/zinc/83/83/77/1070838377.db2.gz FUYVIXUQKCZJAM-UCQKPKSFSA-N -1 0 658.343 6.645 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Br ZINC000408896204 1070835782 /nfs/dbraw/zinc/83/57/82/1070835782.db2.gz QGBRBWYGVOTOOP-SFQUDFHCSA-N -1 0 590.655 6.110 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408896201 1070836331 /nfs/dbraw/zinc/83/63/31/1070836331.db2.gz QEVWTXYZHQXHEX-KOEQRZSOSA-N -1 0 540.597 5.199 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408896053 1070837421 /nfs/dbraw/zinc/83/74/21/1070837421.db2.gz GMEWLVRZQYWQHH-UCQKPKSFSA-N -1 0 569.441 6.426 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408895957 1070840372 /nfs/dbraw/zinc/84/03/72/1070840372.db2.gz GFSMUUCFFCTOLN-JLPGSUDCSA-N -1 0 567.411 6.013 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408895732 1070841605 /nfs/dbraw/zinc/84/16/05/1070841605.db2.gz FKCHLBGHVWCTOF-JLPGSUDCSA-N -1 0 518.541 5.259 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408895768 1070842191 /nfs/dbraw/zinc/84/21/91/1070842191.db2.gz FPMCBENUNGRMSD-YDZHTSKRSA-N -1 0 653.473 5.299 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408895793 1070842718 /nfs/dbraw/zinc/84/27/18/1070842718.db2.gz FRQNSUMFXYUZEI-MYYYXRDXSA-N -1 0 563.050 6.390 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408895445 1070844673 /nfs/dbraw/zinc/84/46/73/1070844673.db2.gz HSNOOMLXGJCBBE-NDENLUEZSA-N -1 0 555.812 5.665 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408895234 1070845534 /nfs/dbraw/zinc/84/55/34/1070845534.db2.gz DBOGUYFWZGHXON-BKUYFWCQSA-N -1 0 618.311 7.180 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408895276 1070847412 /nfs/dbraw/zinc/84/74/12/1070847412.db2.gz DMOQIJYLXMQIBQ-XYGWBWBKSA-N -1 0 534.996 5.773 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C1=O ZINC000408894749 1070851814 /nfs/dbraw/zinc/85/18/14/1070851814.db2.gz FOORJZVDEAACQB-ODLFYWEKSA-N -1 0 649.133 6.528 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c1 ZINC000409343492 1070851823 /nfs/dbraw/zinc/85/18/23/1070851823.db2.gz HBSWUYKWLDZYLP-GRSHGNNSSA-N -1 0 561.797 5.736 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)cc1 ZINC000408894517 1070853834 /nfs/dbraw/zinc/85/38/34/1070853834.db2.gz IGQOSWUKMDPCMF-OVVQPSECSA-N -1 0 583.438 6.274 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)ccc1Br ZINC000408894241 1070856250 /nfs/dbraw/zinc/85/62/50/1070856250.db2.gz BTSLHNXZFGJVIH-IWIPYMOSSA-N -1 0 586.398 6.064 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408894348 1070857671 /nfs/dbraw/zinc/85/76/71/1070857671.db2.gz HVCJVAUYVKBOTB-KEBDBYFISA-N -1 0 539.903 5.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408893871 1070860282 /nfs/dbraw/zinc/86/02/82/1070860282.db2.gz GOPJWVSJGJADTN-RQZCQDPDSA-N -1 0 564.194 6.140 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408893522 1070862458 /nfs/dbraw/zinc/86/24/58/1070862458.db2.gz AWYIDSGFFYAAKT-HMAPJEAMSA-N -1 0 555.414 6.036 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408892525 1070871741 /nfs/dbraw/zinc/87/17/41/1070871741.db2.gz BVMOGQFIWPFAET-UDWIEESQSA-N -1 0 569.839 5.919 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408893075 1070866621 /nfs/dbraw/zinc/86/66/21/1070866621.db2.gz FHKDZYWXMOLIEN-BUVRLJJBSA-N -1 0 500.913 5.878 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c([O-])c(I)c3)SC2=S)cc1 ZINC000409352907 1070871873 /nfs/dbraw/zinc/87/18/73/1070871873.db2.gz ZJLSKNYGIATWFA-OQLLNIDSSA-N -1 0 609.248 5.406 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408893000 1070869896 /nfs/dbraw/zinc/86/98/96/1070869896.db2.gz BFSRACMLDNFLRA-MTJSOVHGSA-N -1 0 583.866 6.363 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Br)C1=O ZINC000408892843 1070870624 /nfs/dbraw/zinc/87/06/24/1070870624.db2.gz DFHICAKXMQMJAC-LDADJPATSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408892453 1070872701 /nfs/dbraw/zinc/87/27/01/1070872701.db2.gz ZMDAGHCDUHYSQI-YDZHTSKRSA-N -1 0 563.006 5.388 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408892109 1070874039 /nfs/dbraw/zinc/87/40/39/1070874039.db2.gz BDLXYKQVDZKTSL-FYJGNVAPSA-N -1 0 672.326 6.032 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892141 1070874214 /nfs/dbraw/zinc/87/42/14/1070874214.db2.gz BJUVGOPZSBGYRR-RGVLZGJSSA-N -1 0 633.904 5.552 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408890514 1070882757 /nfs/dbraw/zinc/88/27/57/1070882757.db2.gz UYWGJDKZYQJOSU-TURZUDJPSA-N -1 0 612.660 5.407 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408890503 1070882953 /nfs/dbraw/zinc/88/29/53/1070882953.db2.gz UUYPKMCBNYOWNO-FYJGNVAPSA-N -1 0 569.035 5.098 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408890367 1070884256 /nfs/dbraw/zinc/88/42/56/1070884256.db2.gz RWYXZOPQTFZOFW-YDZHTSKRSA-N -1 0 533.024 6.218 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Br)c2)C1=O ZINC000408890038 1070885017 /nfs/dbraw/zinc/88/50/17/1070885017.db2.gz MXQXWWFQEVQOPP-GZTJUZNOSA-N -1 0 604.682 6.419 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409371980 1070894489 /nfs/dbraw/zinc/89/44/89/1070894489.db2.gz XPYOSIOLZAYYCE-HYARGMPZSA-N -1 0 564.063 5.150 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409373531 1070897077 /nfs/dbraw/zinc/89/70/77/1070897077.db2.gz UNMKSDOHSVIGPX-CVKSISIWSA-N -1 0 574.431 5.691 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408904123 1070901303 /nfs/dbraw/zinc/90/13/03/1070901303.db2.gz FCPOTJBIRKUXEQ-LPYMAVHISA-N -1 0 535.394 5.931 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc(C)c4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409377272 1070903696 /nfs/dbraw/zinc/90/36/96/1070903696.db2.gz HIIREDMJLFPXQX-LPYMAVHISA-N -1 0 565.489 5.739 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409378543 1070905234 /nfs/dbraw/zinc/90/52/34/1070905234.db2.gz PXADGNYOHRCEHI-NDENLUEZSA-N -1 0 610.436 5.288 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000409380952 1070906410 /nfs/dbraw/zinc/90/64/10/1070906410.db2.gz QDOQNSZVFMZTMS-HYARGMPZSA-N -1 0 608.514 5.259 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408902834 1070907364 /nfs/dbraw/zinc/90/73/64/1070907364.db2.gz LTSYLHDWTVTHKW-RGZVIEDOSA-N -1 0 552.219 5.064 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409385878 1070907801 /nfs/dbraw/zinc/90/78/01/1070907801.db2.gz KTIWOMHXZUPQAI-YBFXNURJSA-N -1 0 584.412 5.085 40 10 KKCBRM CC[C@@H](C)Oc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408902900 1070908085 /nfs/dbraw/zinc/90/80/85/1070908085.db2.gz NGQOFLMBOJCOKX-GFQQVXNGSA-N -1 0 552.219 5.064 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C1=O ZINC000408901584 1070918967 /nfs/dbraw/zinc/91/89/67/1070918967.db2.gz YYTOIVIWIDIIJE-HAHDFKILSA-N -1 0 559.391 6.295 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409398819 1070912361 /nfs/dbraw/zinc/91/23/61/1070912361.db2.gz DBNZUWRQKPYWPF-IUXPMGMMSA-N -1 0 508.188 6.341 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br ZINC000409398830 1070912679 /nfs/dbraw/zinc/91/26/79/1070912679.db2.gz DEKWTKJKQIMNAN-GRSHGNNSSA-N -1 0 617.250 5.559 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000409399815 1070914203 /nfs/dbraw/zinc/91/42/03/1070914203.db2.gz NAGKNSMLEJNUSH-HAHDFKILSA-N -1 0 546.364 5.485 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408901957 1070914725 /nfs/dbraw/zinc/91/47/25/1070914725.db2.gz CYHDSUJEXDCVFS-ZVHZXABRSA-N -1 0 602.401 5.619 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408901677 1070916736 /nfs/dbraw/zinc/91/67/36/1070916736.db2.gz ZNYJJDKABDMRFZ-XKZIYDEJSA-N -1 0 598.291 6.382 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408901535 1070917909 /nfs/dbraw/zinc/91/79/09/1070917909.db2.gz YPXSFHIQPMGGFC-HAHDFKILSA-N -1 0 567.411 6.013 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)ccc1Br ZINC000408901780 1070918094 /nfs/dbraw/zinc/91/80/94/1070918094.db2.gz ZZJKOXMOUULETH-NDENLUEZSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408901531 1070918120 /nfs/dbraw/zinc/91/81/20/1070918120.db2.gz YOLHCQOYIWZVHL-BKUYFWCQSA-N -1 0 555.414 6.036 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408901545 1070918900 /nfs/dbraw/zinc/91/89/00/1070918900.db2.gz YQYNOHWFFFOVCK-ZDLGFXPLSA-N -1 0 679.159 6.537 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408901409 1070920311 /nfs/dbraw/zinc/92/03/11/1070920311.db2.gz XWETWDCVRCBTLM-UQQQWYQISA-N -1 0 563.448 6.182 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)c(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408901444 1070921430 /nfs/dbraw/zinc/92/14/30/1070921430.db2.gz YFDRSAYCSJERHN-COEJQBHMSA-N -1 0 548.639 6.881 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000408901109 1070924463 /nfs/dbraw/zinc/92/44/63/1070924463.db2.gz VREUHGBZYVIGAA-HAHDFKILSA-N -1 0 539.415 6.418 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408901162 1070925335 /nfs/dbraw/zinc/92/53/35/1070925335.db2.gz WMLMKEDDNIDXED-IMRQLAEWSA-N -1 0 536.584 5.883 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccccc2)c1 ZINC000408901176 1070925358 /nfs/dbraw/zinc/92/53/58/1070925358.db2.gz WQJXGUPLGBOANV-BKUYFWCQSA-N -1 0 521.367 5.012 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408900962 1070926451 /nfs/dbraw/zinc/92/64/51/1070926451.db2.gz AQMBWCHFWZSCSF-FYJGNVAPSA-N -1 0 556.459 6.141 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408900998 1070926504 /nfs/dbraw/zinc/92/65/04/1070926504.db2.gz BLHYXMOSAFPXJV-HYARGMPZSA-N -1 0 570.486 6.531 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408900397 1070933686 /nfs/dbraw/zinc/93/36/86/1070933686.db2.gz SJOOCCANLFNAHV-UDWIEESQSA-N -1 0 568.811 5.095 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408900720 1070929463 /nfs/dbraw/zinc/92/94/63/1070929463.db2.gz UCFWLLFTTMWQEM-MOSHPQCFSA-N -1 0 614.290 6.164 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408900468 1070934455 /nfs/dbraw/zinc/93/44/55/1070934455.db2.gz SUXXTSDYHIJYCE-IWIPYMOSSA-N -1 0 658.464 6.253 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408900503 1070930840 /nfs/dbraw/zinc/93/08/40/1070930840.db2.gz TXGPQPAQJOQMIC-XKZIYDEJSA-N -1 0 630.410 5.473 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408900769 1070930890 /nfs/dbraw/zinc/93/08/90/1070930890.db2.gz URZKJCFXJFGXMF-VEILYXNESA-N -1 0 657.561 7.734 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(F)c1 ZINC000408900771 1070931085 /nfs/dbraw/zinc/93/10/85/1070931085.db2.gz UTRKGAJGEQCNAY-BKUYFWCQSA-N -1 0 553.384 5.541 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408900491 1070931102 /nfs/dbraw/zinc/93/11/02/1070931102.db2.gz SZVNKRZUKPIWIX-JLPGSUDCSA-N -1 0 518.541 5.259 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408900549 1070931529 /nfs/dbraw/zinc/93/15/29/1070931529.db2.gz WAEHMUOETAOGNL-LZYBPNLTSA-N -1 0 610.675 6.663 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408900580 1070931679 /nfs/dbraw/zinc/93/16/79/1070931679.db2.gz WHEULQXGTMLYKA-YDZHTSKRSA-N -1 0 577.475 6.327 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408900354 1070932320 /nfs/dbraw/zinc/93/23/20/1070932320.db2.gz SCGSLXWXECBRNO-MOSHPQCFSA-N -1 0 589.851 5.153 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408900387 1070932916 /nfs/dbraw/zinc/93/29/16/1070932916.db2.gz SHXGIMRQOHIPPG-ODLFYWEKSA-N -1 0 590.257 6.318 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)cc1 ZINC000408899962 1070939450 /nfs/dbraw/zinc/93/94/50/1070939450.db2.gz QSXCULSPZPJVJT-STZFKDTASA-N -1 0 614.290 6.246 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408900453 1070934586 /nfs/dbraw/zinc/93/45/86/1070934586.db2.gz SQJLWDVKSMYZQV-MYYYXRDXSA-N -1 0 654.501 6.341 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408900227 1070935466 /nfs/dbraw/zinc/93/54/66/1070935466.db2.gz XNINPZLJPCMDNS-GRSHGNNSSA-N -1 0 681.708 6.270 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)ccc1Br ZINC000408899968 1070940260 /nfs/dbraw/zinc/94/02/60/1070940260.db2.gz QTIQCERNVSEZFN-UNOMPAQXSA-N -1 0 560.231 6.310 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408900137 1070937828 /nfs/dbraw/zinc/93/78/28/1070937828.db2.gz RRGATJQXMSZPKD-IMRQLAEWSA-N -1 0 550.611 6.191 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408899427 1070946610 /nfs/dbraw/zinc/94/66/10/1070946610.db2.gz PEURVGXJLZKVFK-UCQKPKSFSA-N -1 0 671.444 5.632 40 10 KKCBRM CCCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC ZINC000408899784 1070940894 /nfs/dbraw/zinc/94/08/94/1070940894.db2.gz QHKJWUNHEVNRAI-YBEGLDIGSA-N -1 0 613.246 5.216 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408899179 1070947105 /nfs/dbraw/zinc/94/71/05/1070947105.db2.gz ZQSUBKZHFYLBSH-YBFXNURJSA-N -1 0 571.811 5.365 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408899213 1070947155 /nfs/dbraw/zinc/94/71/55/1070947155.db2.gz OCAKCQHXLYJKCK-TWKHWXDSSA-N -1 0 589.047 7.318 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000408899037 1070948718 /nfs/dbraw/zinc/94/87/18/1070948718.db2.gz SAPJBHYBMTZMKW-ODLFYWEKSA-N -1 0 647.263 5.616 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408899077 1070949276 /nfs/dbraw/zinc/94/92/76/1070949276.db2.gz SOJYXOYVSHGYIC-GRSHGNNSSA-N -1 0 692.260 5.524 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000408898920 1070950538 /nfs/dbraw/zinc/95/05/38/1070950538.db2.gz NEWCZPGKMQNNQJ-NDENLUEZSA-N -1 0 570.783 5.565 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408898928 1070950815 /nfs/dbraw/zinc/95/08/15/1070950815.db2.gz NFPMHDUPWRPOHL-ODLFYWEKSA-N -1 0 648.735 6.818 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OS(=O)(=O)c4ccc(C)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408898925 1070950833 /nfs/dbraw/zinc/95/08/33/1070950833.db2.gz NFORIPWOEDUTAJ-DIBXZPPDSA-N -1 0 570.623 5.371 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898988 1070951542 /nfs/dbraw/zinc/95/15/42/1070951542.db2.gz NSVPZVHIWPETTI-UCQKPKSFSA-N -1 0 613.892 6.535 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408898751 1070952830 /nfs/dbraw/zinc/95/28/30/1070952830.db2.gz MLGJRIBXSDKONT-QQXSKIMKSA-N -1 0 569.455 6.773 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408898823 1070952846 /nfs/dbraw/zinc/95/28/46/1070952846.db2.gz MUDOBFOSIUAJGJ-VEILYXNESA-N -1 0 550.611 6.191 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408898836 1070953562 /nfs/dbraw/zinc/95/35/62/1070953562.db2.gz MVHSATAMAHBVRI-NDENLUEZSA-N -1 0 604.284 6.790 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1Br ZINC000408898852 1070953592 /nfs/dbraw/zinc/95/35/92/1070953592.db2.gz MWOJSCLOJSWYIW-MOSHPQCFSA-N -1 0 614.290 6.164 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408898502 1070956056 /nfs/dbraw/zinc/95/60/56/1070956056.db2.gz LXBVGKQAMBAIPL-RQZCQDPDSA-N -1 0 624.702 7.053 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408898326 1070956869 /nfs/dbraw/zinc/95/68/69/1070956869.db2.gz LBIBAEDMKVOFKV-UCQKPKSFSA-N -1 0 644.437 5.863 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408898212 1070958960 /nfs/dbraw/zinc/95/89/60/1070958960.db2.gz PERSWZMALXVCOO-NDENLUEZSA-N -1 0 600.263 5.774 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408898392 1070957726 /nfs/dbraw/zinc/95/77/26/1070957726.db2.gz LZCPCEATLHVSGG-ULJHMMPZSA-N -1 0 515.522 5.019 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408898416 1070958264 /nfs/dbraw/zinc/95/82/64/1070958264.db2.gz MDYSNINSCSDWIU-HAHDFKILSA-N -1 0 672.370 7.035 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)c1 ZINC000408897833 1070964386 /nfs/dbraw/zinc/96/43/86/1070964386.db2.gz ZSYWNXZDUPKRBI-XDHOZWIPSA-N -1 0 509.331 5.142 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408898034 1070960885 /nfs/dbraw/zinc/96/08/85/1070960885.db2.gz KSCDNXYYLCRREB-STZFKDTASA-N -1 0 525.388 6.028 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408897604 1070965046 /nfs/dbraw/zinc/96/50/46/1070965046.db2.gz YVLMZPCKLCXHDC-YBFXNURJSA-N -1 0 616.839 5.815 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408897936 1070962952 /nfs/dbraw/zinc/96/29/52/1070962952.db2.gz JRJAFPGAUSBEQQ-IWIPYMOSSA-N -1 0 520.969 5.383 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408897450 1070966227 /nfs/dbraw/zinc/96/62/27/1070966227.db2.gz XAIFCAWBBPPEBJ-YBFXNURJSA-N -1 0 647.263 5.616 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408897437 1070966381 /nfs/dbraw/zinc/96/63/81/1070966381.db2.gz WYXYEPHMECLEHM-XDHOZWIPSA-N -1 0 600.263 5.856 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Br)c2)C1=O ZINC000408897285 1070967695 /nfs/dbraw/zinc/96/76/95/1070967695.db2.gz ISVICXIVZPKBBJ-WQRHYEAKSA-N -1 0 649.133 6.528 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408909755 1070973969 /nfs/dbraw/zinc/97/39/69/1070973969.db2.gz IJNPOEQCKHTXOX-QGMBQPNBSA-N -1 0 700.096 6.201 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408909202 1070979612 /nfs/dbraw/zinc/97/96/12/1070979612.db2.gz FQJMYHGHDPDZKK-DJKKODMXSA-N -1 0 559.775 5.496 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408909338 1070978291 /nfs/dbraw/zinc/97/82/91/1070978291.db2.gz GMBOYOFRVPPHCQ-KEBDBYFISA-N -1 0 557.347 5.371 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408916912 1070996206 /nfs/dbraw/zinc/99/62/06/1070996206.db2.gz IONMWGUMKFQWON-YDZHTSKRSA-N -1 0 591.458 6.160 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408915809 1071006858 /nfs/dbraw/zinc/00/68/58/1071006858.db2.gz ZGKXCECQFUMQHC-KEBDBYFISA-N -1 0 539.903 5.031 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408913061 1071019630 /nfs/dbraw/zinc/01/96/30/1071019630.db2.gz KHQIDJUCGWDBAE-DJKKODMXSA-N -1 0 606.775 5.338 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408912783 1071021283 /nfs/dbraw/zinc/02/12/83/1071021283.db2.gz RZOMPWANUWITTP-KEBDBYFISA-N -1 0 665.253 5.837 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000408912246 1071025267 /nfs/dbraw/zinc/02/52/67/1071025267.db2.gz DTBGSZUABAMRBS-QGMBQPNBSA-N -1 0 686.190 5.419 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408933940 1071199954 /nfs/dbraw/zinc/19/99/54/1071199954.db2.gz CGKVGWPCJJVQSB-WGOQTCKBSA-N -1 0 726.001 6.823 40 10 KKCBRM Cc1cc(C)cc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)c2)c1 ZINC000408937050 1071203796 /nfs/dbraw/zinc/20/37/96/1071203796.db2.gz MFIKFIAWTXPABS-MIXAMLLLSA-N -1 0 567.041 6.781 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408937063 1071204728 /nfs/dbraw/zinc/20/47/28/1071204728.db2.gz MGTHTZIKVPAXBM-CVKSISIWSA-N -1 0 635.475 7.356 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408936897 1071205992 /nfs/dbraw/zinc/20/59/92/1071205992.db2.gz LGRIFTRKGBDUHJ-MFKUBSTISA-N -1 0 607.877 7.471 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408935974 1071216000 /nfs/dbraw/zinc/21/60/00/1071216000.db2.gz JEVWJOGERTWNKK-CVKSISIWSA-N -1 0 726.926 7.307 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408935937 1071218439 /nfs/dbraw/zinc/21/84/39/1071218439.db2.gz IYWFFIBSYWRCFG-MFKUBSTISA-N -1 0 696.381 7.979 40 10 KKCBRM CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408935579 1071221052 /nfs/dbraw/zinc/22/10/52/1071221052.db2.gz HZABCGJUKZOBNZ-UCQKPKSFSA-N -1 0 525.388 6.028 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408933535 1071239979 /nfs/dbraw/zinc/23/99/79/1071239979.db2.gz AQIOLSJTCCCKBP-DHRITJCHSA-N -1 0 777.826 8.475 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000408947263 1071263223 /nfs/dbraw/zinc/26/32/23/1071263223.db2.gz BMRATFSCDPBRCJ-ZVBGSRNCSA-N -1 0 600.307 6.051 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408942659 1071262581 /nfs/dbraw/zinc/26/25/81/1071262581.db2.gz ZWVVNTPXAQTZAF-WGOQTCKBSA-N -1 0 773.001 6.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408944731 1071283123 /nfs/dbraw/zinc/28/31/23/1071283123.db2.gz UVTISPGCYFADGV-BUVRLJJBSA-N -1 0 523.501 5.002 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408944695 1071284406 /nfs/dbraw/zinc/28/44/06/1071284406.db2.gz URTBYKRYCDKONL-RGVLZGJSSA-N -1 0 512.305 5.147 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000408942706 1071297172 /nfs/dbraw/zinc/29/71/72/1071297172.db2.gz ZZPXALWDGLDRBJ-YSMPRRRNSA-N -1 0 607.877 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408940941 1071312346 /nfs/dbraw/zinc/31/23/46/1071312346.db2.gz VSCNSMCSCNBQEB-HMAPJEAMSA-N -1 0 568.910 6.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408940880 1071313914 /nfs/dbraw/zinc/31/39/14/1071313914.db2.gz VLVXZCKZAJXRPW-DICXZTSXSA-N -1 0 591.422 6.957 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000408940256 1071317803 /nfs/dbraw/zinc/31/78/03/1071317803.db2.gz URNLAHLAWGWUDE-YBFXNURJSA-N -1 0 518.850 5.743 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408940063 1071318342 /nfs/dbraw/zinc/31/83/42/1071318342.db2.gz TYSAPNGTWURFIY-MFKUBSTISA-N -1 0 635.873 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408939370 1071323444 /nfs/dbraw/zinc/32/34/44/1071323444.db2.gz RYSJHMCHZOQRCN-ZMOGYAJESA-N -1 0 670.318 7.719 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408939402 1071324060 /nfs/dbraw/zinc/32/40/60/1071324060.db2.gz SDZJCZXAOCLCEV-CVKSISIWSA-N -1 0 743.381 7.821 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1O ZINC000408939406 1071324305 /nfs/dbraw/zinc/32/43/05/1071324305.db2.gz SEVPHWXZWCVYTL-DJKKODMXSA-N -1 0 561.805 5.997 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408952347 1071344997 /nfs/dbraw/zinc/34/49/97/1071344997.db2.gz NKLSBNLEBOIVFR-MZJWZYIUSA-N -1 0 608.607 6.430 40 10 KKCBRM Cc1ccccc1-n1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408951084 1071352331 /nfs/dbraw/zinc/35/23/31/1071352331.db2.gz KXLICIDZFXDKPC-JVWAILMASA-N -1 0 505.618 5.920 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408951101 1071353050 /nfs/dbraw/zinc/35/30/50/1071353050.db2.gz LETHCCFVQOQSSW-IPPBACCNSA-N -1 0 747.586 7.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408951565 1071350434 /nfs/dbraw/zinc/35/04/34/1071350434.db2.gz LWKFVCYWIKFFHX-KKMKTNMSSA-N -1 0 771.877 8.420 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408951564 1071350553 /nfs/dbraw/zinc/35/05/53/1071350553.db2.gz LWBDQPVWTVGEER-MZJWZYIUSA-N -1 0 645.981 7.816 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408951560 1071350728 /nfs/dbraw/zinc/35/07/28/1071350728.db2.gz LVJMBLVJOMKPDQ-IPPBACCNSA-N -1 0 700.586 7.469 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408950423 1071355182 /nfs/dbraw/zinc/35/51/82/1071355182.db2.gz KBKWAKFLXFNRLM-QFEZKATASA-N -1 0 537.572 5.989 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408948426 1071365057 /nfs/dbraw/zinc/36/50/57/1071365057.db2.gz GDDNWOKGOFLVSR-FDVSRXAVSA-N -1 0 564.642 6.137 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408948313 1071366558 /nfs/dbraw/zinc/36/65/58/1071366558.db2.gz FLZWOUKQZZHVHD-REZTVBANSA-N -1 0 681.664 5.681 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408947281 1071371727 /nfs/dbraw/zinc/37/17/27/1071371727.db2.gz BSXPMVGJODTYAY-REZTVBANSA-N -1 0 529.307 5.107 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408957019 1071372829 /nfs/dbraw/zinc/37/28/29/1071372829.db2.gz ZRYRBDZZAKUZER-XODNFHPESA-N -1 0 767.458 7.776 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956438 1071377261 /nfs/dbraw/zinc/37/72/61/1071377261.db2.gz WTRCJFSYGOFPMF-LSHDLFTRSA-N -1 0 628.361 6.745 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408956883 1071373875 /nfs/dbraw/zinc/37/38/75/1071373875.db2.gz ZADWYGFHPXAHRP-IPPBACCNSA-N -1 0 690.034 8.214 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408956891 1071374093 /nfs/dbraw/zinc/37/40/93/1071374093.db2.gz ZENVFOKSGRCBGE-REZTVBANSA-N -1 0 634.266 6.129 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC ZINC000408956956 1071374717 /nfs/dbraw/zinc/37/47/17/1071374717.db2.gz ZIVKCMNIZPMCMU-WYMPLXKRSA-N -1 0 640.518 6.223 40 10 KKCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408956707 1071375144 /nfs/dbraw/zinc/37/51/44/1071375144.db2.gz YAZSJZBAMWJOKQ-WYMPLXKRSA-N -1 0 549.067 6.272 40 10 KKCBRM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956746 1071375303 /nfs/dbraw/zinc/37/53/03/1071375303.db2.gz YGXXNJBKMVHDAT-FSJBWODESA-N -1 0 548.481 5.649 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000408955351 1071385466 /nfs/dbraw/zinc/38/54/66/1071385466.db2.gz UGIIQSRGUIQMBR-CCVNUDIWSA-N -1 0 534.660 5.932 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408955151 1071386858 /nfs/dbraw/zinc/38/68/58/1071386858.db2.gz SVQRZNNJXJMBCP-FJEPWZHXSA-N -1 0 716.616 7.712 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692951 1071392421 /nfs/dbraw/zinc/39/24/21/1071392421.db2.gz ZEGZQXYMIKZRQV-LZYBPNLTSA-N -1 0 523.800 5.639 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408692964 1071392476 /nfs/dbraw/zinc/39/24/76/1071392476.db2.gz ZOCPKZGKKGAQBT-CXUHLZMHSA-N -1 0 538.225 5.739 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408954040 1071394071 /nfs/dbraw/zinc/39/40/71/1071394071.db2.gz RCMNOCVBSPSOEU-QGMBQPNBSA-N -1 0 677.245 5.036 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408954532 1071390101 /nfs/dbraw/zinc/39/01/01/1071390101.db2.gz RFOLYZKJDXDFRN-XODNFHPESA-N -1 0 686.559 7.079 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408692347 1071394657 /nfs/dbraw/zinc/39/46/57/1071394657.db2.gz KMGKWAPADOTAHE-RQZCQDPDSA-N -1 0 538.225 5.739 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408692119 1071397015 /nfs/dbraw/zinc/39/70/15/1071397015.db2.gz DVCZVDGMFRXMFY-VCHYOVAHSA-N -1 0 625.257 5.046 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000408953180 1071398517 /nfs/dbraw/zinc/39/85/17/1071398517.db2.gz OZBTUDOQAJTAHE-RWPZCVJISA-N -1 0 577.637 6.308 40 10 KKCBRM COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000408966456 1071410046 /nfs/dbraw/zinc/41/00/46/1071410046.db2.gz MUGRXSLYMIHWAV-XNTDXEJSSA-N -1 0 519.337 5.010 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408966335 1071411119 /nfs/dbraw/zinc/41/11/19/1071411119.db2.gz LRYDKRAOXXGPGL-NTEUORMPSA-N -1 0 506.298 5.132 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408960280 1071433743 /nfs/dbraw/zinc/43/37/43/1071433743.db2.gz KPVKONQJKJFIFT-USHMODERSA-N -1 0 562.647 6.329 40 10 KKCBRM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n21 ZINC000408958087 1071442538 /nfs/dbraw/zinc/44/25/38/1071442538.db2.gz VBINGYFGYOTSMX-YRSDHNRQSA-N -1 0 664.578 5.064 40 10 KKCBRM Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c3ccccc32)cc1C ZINC000408971033 1071453176 /nfs/dbraw/zinc/45/31/76/1071453176.db2.gz GAQLKWGVDSFOSV-QQXSKIMKSA-N -1 0 528.655 6.441 40 10 KKCBRM CC[C@@H](C)c1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c2)cc1 ZINC000408970881 1071454038 /nfs/dbraw/zinc/45/40/38/1071454038.db2.gz ABGFOZCNHTYCCN-FDRCZSESSA-N -1 0 533.671 6.762 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408970378 1071456003 /nfs/dbraw/zinc/45/60/03/1071456003.db2.gz GZIAQJQMGVTHEJ-YSMPRRRNSA-N -1 0 527.623 6.531 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408968415 1071461410 /nfs/dbraw/zinc/46/14/10/1071461410.db2.gz YRUFSBVHPAYINO-LPYMAVHISA-N -1 0 531.435 5.236 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1Cl ZINC000408986749 1071488818 /nfs/dbraw/zinc/48/88/18/1071488818.db2.gz DISMSBIFBSXXNU-ODLFYWEKSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408986087 1071493216 /nfs/dbraw/zinc/49/32/16/1071493216.db2.gz ZMTWPMIBNDRFGB-QQXSKIMKSA-N -1 0 555.030 6.700 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408985082 1071503152 /nfs/dbraw/zinc/50/31/52/1071503152.db2.gz UZYCRBLNELAMRE-QQXSKIMKSA-N -1 0 646.481 6.651 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000408984803 1071505703 /nfs/dbraw/zinc/50/57/03/1071505703.db2.gz SRYMIEMSDLRSNB-FMQZQXMHSA-N -1 0 629.121 7.617 40 10 KKCBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000408984610 1071507023 /nfs/dbraw/zinc/50/70/23/1071507023.db2.gz SEZMCDKWGSPSJL-JAIQZWGSSA-N -1 0 540.041 5.577 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408984700 1071507685 /nfs/dbraw/zinc/50/76/85/1071507685.db2.gz SPILNPRMMBSJCJ-JMIUGGIZSA-N -1 0 587.829 6.194 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C2=O)cc1 ZINC000408984191 1071510885 /nfs/dbraw/zinc/51/08/85/1071510885.db2.gz IFXMONWFKYQSIH-MWAVMZGNSA-N -1 0 582.616 6.948 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1Cl ZINC000408984009 1071512213 /nfs/dbraw/zinc/51/22/13/1071512213.db2.gz PGODSHZXYBPKPZ-SOFYXZRVSA-N -1 0 584.670 7.507 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408984022 1071512250 /nfs/dbraw/zinc/51/22/50/1071512250.db2.gz PIEIYJIBHHJRRM-ODLFYWEKSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000408983959 1071513927 /nfs/dbraw/zinc/51/39/27/1071513927.db2.gz OWKQUVQHXDTEDX-WQRHYEAKSA-N -1 0 512.791 5.485 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408727036 1071515166 /nfs/dbraw/zinc/51/51/66/1071515166.db2.gz XUYUTMOLCBWALD-NDENLUEZSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408726022 1071517275 /nfs/dbraw/zinc/51/72/75/1071517275.db2.gz ODYUHMDGGCPMNT-HAHDFKILSA-N -1 0 565.420 5.492 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408983330 1071518114 /nfs/dbraw/zinc/51/81/14/1071518114.db2.gz LJXOULQGEOTOMI-UCQKPKSFSA-N -1 0 563.448 5.964 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408983144 1071519050 /nfs/dbraw/zinc/51/90/50/1071519050.db2.gz KYBBVVNIHINOTM-LSCVHKIXSA-N -1 0 685.729 7.204 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408982732 1071523833 /nfs/dbraw/zinc/52/38/33/1071523833.db2.gz FBYGFXFUPJIXNK-JAIQZWGSSA-N -1 0 602.254 6.159 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1 ZINC000408982615 1071525374 /nfs/dbraw/zinc/52/53/74/1071525374.db2.gz IKCAYNNXKUMZEN-JAIQZWGSSA-N -1 0 757.160 6.466 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408983072 1071521168 /nfs/dbraw/zinc/52/11/68/1071521168.db2.gz KCUUMNCGOOQHAT-BKUYFWCQSA-N -1 0 539.415 6.200 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2I)cc1 ZINC000408983050 1071521217 /nfs/dbraw/zinc/52/12/17/1071521217.db2.gz JWEKGCOWEJCWLU-OCKHKDLRSA-N -1 0 665.709 6.569 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408983119 1071521706 /nfs/dbraw/zinc/52/17/06/1071521706.db2.gz KRBJALYTKZEVKV-XKZIYDEJSA-N -1 0 675.317 6.260 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408983116 1071521841 /nfs/dbraw/zinc/52/18/41/1071521841.db2.gz KQLCMOHPXZSHOO-GRSHGNNSSA-N -1 0 559.833 6.463 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408982915 1071522531 /nfs/dbraw/zinc/52/25/31/1071522531.db2.gz IVTMTSZZNYQWEY-YSMPRRRNSA-N -1 0 558.009 6.440 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408982115 1071527912 /nfs/dbraw/zinc/52/79/12/1071527912.db2.gz FXJBXPAQOXWBGA-JMIUGGIZSA-N -1 0 695.735 6.660 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408982122 1071528124 /nfs/dbraw/zinc/52/81/24/1071528124.db2.gz GBJUPURHXPWWSY-UWVJOHFNSA-N -1 0 594.278 7.253 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408723085 1071531169 /nfs/dbraw/zinc/53/11/69/1071531169.db2.gz QGLOPHRNRFOLFA-CAOOACKPSA-N -1 0 626.743 6.828 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Cl)cc4Cl)cc3Br)C2=O)cc1 ZINC000408982072 1071530044 /nfs/dbraw/zinc/53/00/44/1071530044.db2.gz FMCNORVLTLHARO-JMIUGGIZSA-N -1 0 604.284 6.572 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000408982098 1071530157 /nfs/dbraw/zinc/53/01/57/1071530157.db2.gz FRRHTHBIOZNNOX-LSCVHKIXSA-N -1 0 696.679 6.169 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408982095 1071530205 /nfs/dbraw/zinc/53/02/05/1071530205.db2.gz FQWQPBFZLJPGIX-JCMHNJIXSA-N -1 0 504.970 5.547 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722925 1071531643 /nfs/dbraw/zinc/53/16/43/1071531643.db2.gz ONFOJYGQIAQCGM-RGVLZGJSSA-N -1 0 606.325 6.565 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1Cl ZINC000408981795 1071532406 /nfs/dbraw/zinc/53/24/06/1071532406.db2.gz CAWQLGXZTJGEOV-QRVIBDJDSA-N -1 0 575.846 6.810 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408981289 1071535477 /nfs/dbraw/zinc/53/54/77/1071535477.db2.gz ADBLXSKCYPFQKU-NVMNQCDNSA-N -1 0 564.252 7.108 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994563 1071557424 /nfs/dbraw/zinc/55/74/24/1071557424.db2.gz IAMALWMOPPWYNQ-LICLKQGHSA-N -1 0 683.180 7.389 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C2=O)cc1 ZINC000408993013 1071568869 /nfs/dbraw/zinc/56/88/69/1071568869.db2.gz UORYSOOEQSWSCW-PXLXIMEGSA-N -1 0 606.641 5.816 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)cc3)C2=O)c1C ZINC000408992796 1071569443 /nfs/dbraw/zinc/56/94/43/1071569443.db2.gz CCAQBLRMWRUPMK-HYARGMPZSA-N -1 0 552.368 5.153 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccc(C)cc5)C4=O)o3)sc2c1 ZINC000408992572 1071572143 /nfs/dbraw/zinc/57/21/43/1071572143.db2.gz SLQYPFONBGJOFP-LDADJPATSA-N -1 0 505.577 5.414 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=S)N(c6ccc(C)c(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408992310 1071574255 /nfs/dbraw/zinc/57/42/55/1071574255.db2.gz RPZLJGHVVXCCIO-MFKUBSTISA-N -1 0 679.805 7.365 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408992038 1071574650 /nfs/dbraw/zinc/57/46/50/1071574650.db2.gz QEXWYPMUGPNRRI-PXLXIMEGSA-N -1 0 621.656 6.274 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408991104 1071583958 /nfs/dbraw/zinc/58/39/58/1071583958.db2.gz ZBOHBXLUOIXFIS-HAHDFKILSA-N -1 0 549.421 5.656 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000408990653 1071587796 /nfs/dbraw/zinc/58/77/96/1071587796.db2.gz XWMQMQHFXLUHBE-MOSHPQCFSA-N -1 0 525.439 5.635 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408990254 1071591667 /nfs/dbraw/zinc/59/16/67/1071591667.db2.gz WNFJQRHEYHABJD-ZDLGFXPLSA-N -1 0 545.857 6.034 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4ccccc4c3)C2=O)cc1 ZINC000408989513 1071596944 /nfs/dbraw/zinc/59/69/44/1071596944.db2.gz KXYYALCPQJAUHR-ONUIUJJFSA-N -1 0 555.428 6.410 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1Br ZINC000408987981 1071608744 /nfs/dbraw/zinc/60/87/44/1071608744.db2.gz ZRJCMHYLHFGJMM-LDADJPATSA-N -1 0 506.352 5.723 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408988040 1071608864 /nfs/dbraw/zinc/60/88/64/1071608864.db2.gz CHWFZIHKKONJID-OEAKJJBVSA-N -1 0 686.196 7.401 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408987617 1071612444 /nfs/dbraw/zinc/61/24/44/1071612444.db2.gz BKPXFEHGTKNFBC-VCHYOVAHSA-N -1 0 683.180 7.389 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408987428 1071612962 /nfs/dbraw/zinc/61/29/62/1071612962.db2.gz AZZSWQTYRQYNFM-UZBYXMDDSA-N -1 0 697.820 6.483 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408744158 1071615915 /nfs/dbraw/zinc/61/59/15/1071615915.db2.gz XFBBHSDCKITLGQ-JDCMOKTRSA-N -1 0 581.672 7.493 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408744064 1071616591 /nfs/dbraw/zinc/61/65/91/1071616591.db2.gz YNNJPQVWZOGIGQ-YBEGLDIGSA-N -1 0 532.759 5.102 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408744043 1071616733 /nfs/dbraw/zinc/61/67/33/1071616733.db2.gz YIHZCQOPZCHGDT-RGVLZGJSSA-N -1 0 602.304 5.631 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c1C)CCCC2 ZINC000408743806 1071617863 /nfs/dbraw/zinc/61/78/63/1071617863.db2.gz VJTFRJWQCIMOIH-AQTBWJFISA-N -1 0 586.497 6.184 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408743108 1071618972 /nfs/dbraw/zinc/61/89/72/1071618972.db2.gz ZHPONFDSSJOCNB-DFKUXCBWSA-N -1 0 611.723 7.128 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)o2)c(Br)c1 ZINC000408743216 1071618987 /nfs/dbraw/zinc/61/89/87/1071618987.db2.gz VLBQKDQRPKGGFX-BOPFTXTBSA-N -1 0 501.789 5.502 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408743200 1071619052 /nfs/dbraw/zinc/61/90/52/1071619052.db2.gz VHWAQTBAFMZNQG-KEBDBYFISA-N -1 0 562.272 6.166 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408743207 1071619080 /nfs/dbraw/zinc/61/90/80/1071619080.db2.gz VKCIGNIAEFDBLH-CNHKJKLMSA-N -1 0 702.126 6.615 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408742850 1071619581 /nfs/dbraw/zinc/61/95/81/1071619581.db2.gz SZEDNCMSBGCDAN-YBEGLDIGSA-N -1 0 522.207 5.847 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000408743091 1071619593 /nfs/dbraw/zinc/61/95/93/1071619593.db2.gz UNOWGBTYWBEMMU-USHMODERSA-N -1 0 663.553 7.622 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S ZINC000408742773 1071620040 /nfs/dbraw/zinc/62/00/40/1071620040.db2.gz SSSAQLXVUUSEPF-MHWRWJLKSA-N -1 0 546.786 5.410 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409006192 1071626628 /nfs/dbraw/zinc/62/66/28/1071626628.db2.gz YSLFRFANVUOCIF-LQNQUEJISA-N -1 0 619.718 6.237 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408741332 1071626705 /nfs/dbraw/zinc/62/67/05/1071626705.db2.gz PDGBVNPUFKOFDE-RGVLZGJSSA-N -1 0 590.257 6.400 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742190 1071622315 /nfs/dbraw/zinc/62/23/15/1071622315.db2.gz QAEFMXHBPNMYDG-CIAFOILYSA-N -1 0 541.456 6.111 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409007053 1071623645 /nfs/dbraw/zinc/62/36/45/1071623645.db2.gz NFBIKYIPEJAZNF-GRSHGNNSSA-N -1 0 522.442 5.346 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408741031 1071627834 /nfs/dbraw/zinc/62/78/34/1071627834.db2.gz JKBTZVRIVGSMTD-GDNBJRDFSA-N -1 0 532.759 5.102 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408741932 1071623910 /nfs/dbraw/zinc/62/39/10/1071623910.db2.gz STRKJSRIEUQCNH-CIAFOILYSA-N -1 0 614.461 5.109 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)cc1 ZINC000408741224 1071626088 /nfs/dbraw/zinc/62/60/88/1071626088.db2.gz HPZIVOTXJPGVNF-VEILYXNESA-N -1 0 566.639 6.382 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408740759 1071629693 /nfs/dbraw/zinc/62/96/93/1071629693.db2.gz HXPZJOZJYRYFNQ-CNHKJKLMSA-N -1 0 718.194 6.779 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408740415 1071630779 /nfs/dbraw/zinc/63/07/79/1071630779.db2.gz KEPDKQVEGWGANO-OEAKJJBVSA-N -1 0 604.400 5.698 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)[N-]C1=S ZINC000408739984 1071632478 /nfs/dbraw/zinc/63/24/78/1071632478.db2.gz CESVSCFMFSDILW-KGENOOAVSA-N -1 0 507.409 5.168 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408739941 1071632541 /nfs/dbraw/zinc/63/25/41/1071632541.db2.gz BXKKMKUNCPCKAF-VXLYETTFSA-N -1 0 635.106 6.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408757176 1071633195 /nfs/dbraw/zinc/63/31/95/1071633195.db2.gz VIZKUBZBJRMYBN-ZVHZXABRSA-N -1 0 664.350 7.317 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408756140 1071639977 /nfs/dbraw/zinc/63/99/77/1071639977.db2.gz XWJVHMZHGSRKGE-RGVLZGJSSA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408757035 1071634297 /nfs/dbraw/zinc/63/42/97/1071634297.db2.gz VZQUCKSXDDTURE-ONUIUJJFSA-N -1 0 538.625 5.657 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1F ZINC000408756465 1071638143 /nfs/dbraw/zinc/63/81/43/1071638143.db2.gz ZNNCFCCQSCASLG-DEDYPNTBSA-N -1 0 553.384 5.541 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408756022 1071640423 /nfs/dbraw/zinc/64/04/23/1071640423.db2.gz XELXBWXTJWRPHF-FYJGNVAPSA-N -1 0 614.290 6.164 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)c1 ZINC000409002440 1071640789 /nfs/dbraw/zinc/64/07/89/1071640789.db2.gz ZYXXWGWJGBKDSY-OEAKJJBVSA-N -1 0 584.435 5.100 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408756093 1071641068 /nfs/dbraw/zinc/64/10/68/1071641068.db2.gz XMHVFVKPFZYWPQ-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409001831 1071643000 /nfs/dbraw/zinc/64/30/00/1071643000.db2.gz WWZDMOYSPKLIOZ-VGOFMYFVSA-N -1 0 724.016 8.079 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)c3ccccc32)c1 ZINC000409001495 1071645498 /nfs/dbraw/zinc/64/54/98/1071645498.db2.gz WHNDWTGBUZLXAN-CIAFOILYSA-N -1 0 504.373 5.971 40 10 KKCBRM O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2[O-])sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754745 1071650561 /nfs/dbraw/zinc/65/05/61/1071650561.db2.gz HXSRXWBZUFWASV-GPSICVMSSA-N -1 0 540.648 6.440 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408754425 1071651680 /nfs/dbraw/zinc/65/16/80/1071651680.db2.gz NIGNNHFPZPCLPE-OEAKJJBVSA-N -1 0 573.403 5.644 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1 ZINC000408999689 1071653663 /nfs/dbraw/zinc/65/36/63/1071653663.db2.gz XIUHPDXRGOLGAL-CLCZQPDDSA-N -1 0 534.659 5.506 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C1=O ZINC000408999503 1071654158 /nfs/dbraw/zinc/65/41/58/1071654158.db2.gz LKIHVWNFNYRYQF-PXLXIMEGSA-N -1 0 552.368 5.099 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408753190 1071659139 /nfs/dbraw/zinc/65/91/39/1071659139.db2.gz FBMKKVLRYMQITD-BKUYFWCQSA-N -1 0 614.461 5.109 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408753299 1071659814 /nfs/dbraw/zinc/65/98/14/1071659814.db2.gz LRMFQZSNNTVWCE-HZHRSRAPSA-N -1 0 528.406 5.985 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408753139 1071660804 /nfs/dbraw/zinc/66/08/04/1071660804.db2.gz IAUJGTBAICYCTO-YBFXNURJSA-N -1 0 604.284 6.708 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408752794 1071662038 /nfs/dbraw/zinc/66/20/38/1071662038.db2.gz CGRNPNBFQMPWEX-VXLYETTFSA-N -1 0 726.159 6.379 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997372 1071664858 /nfs/dbraw/zinc/66/48/58/1071664858.db2.gz OATYFSNXQOOAHM-LICLKQGHSA-N -1 0 685.221 7.246 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)[N-]C2=S)cc1 ZINC000409014154 1071677206 /nfs/dbraw/zinc/67/72/06/1071677206.db2.gz FPSNYZXLYMDOTB-CPNJWEJPSA-N -1 0 501.054 5.783 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2I)cc1 ZINC000408760257 1071697906 /nfs/dbraw/zinc/69/79/06/1071697906.db2.gz VNBSXZXJCUQNIP-VXLYETTFSA-N -1 0 710.160 6.678 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1 ZINC000408766198 1071720189 /nfs/dbraw/zinc/72/01/89/1071720189.db2.gz ABHQODVOUSHDRD-VXLYETTFSA-N -1 0 651.682 6.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408766250 1071720672 /nfs/dbraw/zinc/72/06/72/1071720672.db2.gz AVBZDTXWSGPUBY-CIAFOILYSA-N -1 0 508.933 5.432 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408765841 1071722864 /nfs/dbraw/zinc/72/28/64/1071722864.db2.gz QPAVRURPHORHHO-VXLYETTFSA-N -1 0 726.159 6.379 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(I)c3)C2=O)ccc1Br ZINC000408765817 1071722885 /nfs/dbraw/zinc/72/28/85/1071722885.db2.gz QNRXIIYBDFCKLR-RQZCQDPDSA-N -1 0 730.578 7.023 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)ccc1Br ZINC000408764829 1071727434 /nfs/dbraw/zinc/72/74/34/1071727434.db2.gz SWVZKJWIJBHFDD-GIJQJNRQSA-N -1 0 775.029 7.133 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C2=O)ccc1Br ZINC000408763347 1071732722 /nfs/dbraw/zinc/73/27/22/1071732722.db2.gz MYTNYBNURYATAM-VCHYOVAHSA-N -1 0 743.133 6.212 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408763557 1071731490 /nfs/dbraw/zinc/73/14/90/1071731490.db2.gz PRXRHXRXUONYNZ-RGVLZGJSSA-N -1 0 526.818 5.793 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)ccc1Br ZINC000408762380 1071735627 /nfs/dbraw/zinc/73/56/27/1071735627.db2.gz OJMXLPARGKOQTL-GIJQJNRQSA-N -1 0 777.578 6.866 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)ccc1Br ZINC000408762283 1071736349 /nfs/dbraw/zinc/73/63/49/1071736349.db2.gz JXLGCUNOHWLZRH-REZTVBANSA-N -1 0 787.142 5.941 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408762032 1071737702 /nfs/dbraw/zinc/73/77/02/1071737702.db2.gz CBYZCVVVIRDEQO-LICLKQGHSA-N -1 0 597.334 5.041 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408762403 1071735485 /nfs/dbraw/zinc/73/54/85/1071735485.db2.gz KEHDEZOJIZTCLT-JLPGSUDCSA-N -1 0 557.027 6.663 40 10 KKCBRM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4[O-])c(=O)n32)c1 ZINC000408770531 1071743048 /nfs/dbraw/zinc/74/30/48/1071743048.db2.gz YOXUQSXQXOGTMW-YSYATTAESA-N -1 0 601.688 6.004 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408761529 1071739473 /nfs/dbraw/zinc/73/94/73/1071739473.db2.gz GKTVYEJKGJMBED-RGVLZGJSSA-N -1 0 740.186 6.769 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)c1 ZINC000408777219 1071746122 /nfs/dbraw/zinc/74/61/22/1071746122.db2.gz WYJZUEMPZALGJR-VXLYETTFSA-N -1 0 651.682 6.261 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000408776179 1071751404 /nfs/dbraw/zinc/75/14/04/1071751404.db2.gz UVWRJGOLALQMIK-LFVJCYFKSA-N -1 0 532.021 5.762 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408776431 1071749540 /nfs/dbraw/zinc/74/95/40/1071749540.db2.gz OSEHCYRINVSESH-GIJQJNRQSA-N -1 0 715.806 6.516 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408776309 1071750477 /nfs/dbraw/zinc/75/04/77/1071750477.db2.gz NLUMPRKKBDMSAN-VXLYETTFSA-N -1 0 515.324 5.387 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)c1 ZINC000408776149 1071750816 /nfs/dbraw/zinc/75/08/16/1071750816.db2.gz MOENCRNMJLTCFL-ZMOGYAJESA-N -1 0 634.324 7.227 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408776146 1071750959 /nfs/dbraw/zinc/75/09/59/1071750959.db2.gz UPPFCBZKRHAWAQ-WSDLNYQXSA-N -1 0 722.317 6.157 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408774844 1071758412 /nfs/dbraw/zinc/75/84/12/1071758412.db2.gz DFORNESZMOESOW-VCHYOVAHSA-N -1 0 658.361 5.273 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408774610 1071760487 /nfs/dbraw/zinc/76/04/87/1071760487.db2.gz MLZICSUTONWOPX-YBFXNURJSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408774145 1071763409 /nfs/dbraw/zinc/76/34/09/1071763409.db2.gz AFYPOHIBAMSMIK-WPWMEQJKSA-N -1 0 600.538 6.575 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408773977 1071764771 /nfs/dbraw/zinc/76/47/71/1071764771.db2.gz USSVNZKECCIOHM-OEAKJJBVSA-N -1 0 518.400 6.280 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C2=O)cc1 ZINC000408773656 1071765869 /nfs/dbraw/zinc/76/58/69/1071765869.db2.gz WGPOSJGTKULARW-FYJGNVAPSA-N -1 0 504.373 5.971 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408773565 1071766726 /nfs/dbraw/zinc/76/67/26/1071766726.db2.gz SBGLJTYNUFNSPN-VIZOYTHASA-N -1 0 699.776 6.795 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408773527 1071766751 /nfs/dbraw/zinc/76/67/51/1071766751.db2.gz LQWFRMMBSUOSKH-BUVRLJJBSA-N -1 0 541.401 6.156 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408773292 1071769344 /nfs/dbraw/zinc/76/93/44/1071769344.db2.gz QMNBPUILLPTBCH-CAOOACKPSA-N -1 0 591.831 5.918 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408773299 1071769585 /nfs/dbraw/zinc/76/95/85/1071769585.db2.gz JXTKXHLBSNBZBQ-WSDLNYQXSA-N -1 0 549.421 5.628 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408773080 1071769949 /nfs/dbraw/zinc/76/99/49/1071769949.db2.gz SNMGJHQCNBKAHM-CIAFOILYSA-N -1 0 614.290 6.164 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772885 1071771856 /nfs/dbraw/zinc/77/18/56/1071771856.db2.gz ISPXADALFXXCSE-LPYMAVHISA-N -1 0 582.394 5.162 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408772629 1071772374 /nfs/dbraw/zinc/77/23/74/1071772374.db2.gz PYTQJGJKLAMOFL-RCCKNPSSSA-N -1 0 519.985 5.893 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408772336 1071773913 /nfs/dbraw/zinc/77/39/13/1071773913.db2.gz KRXJRSNWGRJZCG-RDRPBHBLSA-N -1 0 630.564 6.666 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408772258 1071775658 /nfs/dbraw/zinc/77/56/58/1071775658.db2.gz FWYGTJXSEISMEW-WKULSOCRSA-N -1 0 659.568 7.141 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408771768 1071777903 /nfs/dbraw/zinc/77/79/03/1071777903.db2.gz CPBFQFHRKFBDAB-VXLYETTFSA-N -1 0 651.284 6.551 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)c1 ZINC000408771647 1071778789 /nfs/dbraw/zinc/77/87/89/1071778789.db2.gz IMEFZSLRHIXGEE-VXLYETTFSA-N -1 0 621.258 6.460 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771410 1071781647 /nfs/dbraw/zinc/78/16/47/1071781647.db2.gz GOJZWAKOVWLJKF-VCHYOVAHSA-N -1 0 575.883 5.521 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408771195 1071782136 /nfs/dbraw/zinc/78/21/36/1071782136.db2.gz DKJPGZYARCCFGH-LZYBPNLTSA-N -1 0 599.776 6.920 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408771077 1071783353 /nfs/dbraw/zinc/78/33/53/1071783353.db2.gz CTZRNLIUFMAGJG-UDWIEESQSA-N -1 0 600.384 5.383 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408769577 1071791724 /nfs/dbraw/zinc/79/17/24/1071791724.db2.gz VVOZQXCTKTUGGI-LPYMAVHISA-N -1 0 550.365 5.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408769654 1071792498 /nfs/dbraw/zinc/79/24/98/1071792498.db2.gz YLVYNTNULQLSBF-CIAFOILYSA-N -1 0 582.394 5.162 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2I)c1 ZINC000408768845 1071797147 /nfs/dbraw/zinc/79/71/47/1071797147.db2.gz KFFOBQHTJTZZNW-SRZZPIQSSA-N -1 0 692.291 6.066 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408768547 1071799236 /nfs/dbraw/zinc/79/92/36/1071799236.db2.gz YCABVVWEKDEWIK-GIJQJNRQSA-N -1 0 707.861 5.514 40 10 KKCBRM O=C([O-])c1cccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c1 ZINC000408768365 1071799798 /nfs/dbraw/zinc/79/97/98/1071799798.db2.gz WPXNRLXCBXTREE-UHFFFAOYSA-N -1 0 518.525 5.547 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408768216 1071801317 /nfs/dbraw/zinc/80/13/17/1071801317.db2.gz VCDMBWDQTOFQRA-CIAFOILYSA-N -1 0 535.394 5.320 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408767653 1071807003 /nfs/dbraw/zinc/80/70/03/1071807003.db2.gz ZLHGHRHFJUKBKR-DEDYPNTBSA-N -1 0 521.367 5.012 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408767548 1071808656 /nfs/dbraw/zinc/80/86/56/1071808656.db2.gz MLNORRNZQHGUKA-RGVLZGJSSA-N -1 0 539.357 5.151 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C2=O)ccc1Br ZINC000408767555 1071808724 /nfs/dbraw/zinc/80/87/24/1071808724.db2.gz YLFVLRSYNCYAGC-DEDYPNTBSA-N -1 0 509.331 5.142 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408782327 1071812095 /nfs/dbraw/zinc/81/20/95/1071812095.db2.gz FTLXZEDDDDSBAL-XODNFHPESA-N -1 0 720.458 7.933 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)c1 ZINC000408782091 1071812446 /nfs/dbraw/zinc/81/24/46/1071812446.db2.gz HELXVABASHDLSA-UDWIEESQSA-N -1 0 539.813 5.965 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409037869 1071820617 /nfs/dbraw/zinc/82/06/17/1071820617.db2.gz ULWLSABQWYJTNP-OVCLIPMQSA-N -1 0 628.291 6.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408781000 1071821248 /nfs/dbraw/zinc/82/12/48/1071821248.db2.gz PPNFOOGWUKRZJE-RGVLZGJSSA-N -1 0 647.809 5.497 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408780540 1071823693 /nfs/dbraw/zinc/82/36/93/1071823693.db2.gz DBPYTWBHYBYLCF-WGOQTCKBSA-N -1 0 505.961 6.163 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409047141 1071826456 /nfs/dbraw/zinc/82/64/56/1071826456.db2.gz MXVJRRTXPZQSEX-OGLMXYFKSA-N -1 0 731.543 6.261 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408780004 1071826772 /nfs/dbraw/zinc/82/67/72/1071826772.db2.gz PPSMDNLYLLGKHH-LICLKQGHSA-N -1 0 575.952 6.507 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000409046966 1071826968 /nfs/dbraw/zinc/82/69/68/1071826968.db2.gz LRUKHWIRYDFAGT-RGVLZGJSSA-N -1 0 529.351 5.777 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408779951 1071827068 /nfs/dbraw/zinc/82/70/68/1071827068.db2.gz ONKMMPMZZPUZKA-SRZZPIQSSA-N -1 0 600.384 5.301 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1C ZINC000409046642 1071829529 /nfs/dbraw/zinc/82/95/29/1071829529.db2.gz KVDRPGDCQIDOCC-SRZZPIQSSA-N -1 0 602.254 6.213 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1 ZINC000408779597 1071829700 /nfs/dbraw/zinc/82/97/00/1071829700.db2.gz ZGVOWWHFYHIDSI-VXLYETTFSA-N -1 0 743.133 6.212 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409046160 1071835780 /nfs/dbraw/zinc/83/57/80/1071835780.db2.gz JDTLKPVGTOMBJJ-VXLYETTFSA-N -1 0 579.845 5.698 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000409046422 1071832777 /nfs/dbraw/zinc/83/27/77/1071832777.db2.gz KNCIGNGGANYDRU-RGVLZGJSSA-N -1 0 531.779 5.901 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1 ZINC000409046256 1071834061 /nfs/dbraw/zinc/83/40/61/1071834061.db2.gz JPKWRCYWNZQPQZ-GIJQJNRQSA-N -1 0 668.747 5.916 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000409046052 1071834559 /nfs/dbraw/zinc/83/45/59/1071834559.db2.gz RCQGVKAZXACIRV-FPYGCLRLSA-N -1 0 526.053 5.419 40 10 KKCBRM CC(C)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409045403 1071840689 /nfs/dbraw/zinc/84/06/89/1071840689.db2.gz YHDZPCFTOSJKPB-WLRTZDKTSA-N -1 0 502.181 6.001 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409045805 1071837714 /nfs/dbraw/zinc/83/77/14/1071837714.db2.gz ICJANFCOULYMNC-OQLLNIDSSA-N -1 0 542.611 5.320 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1 ZINC000409046031 1071837903 /nfs/dbraw/zinc/83/79/03/1071837903.db2.gz IARMVMGWHXHVMC-GIJQJNRQSA-N -1 0 579.845 5.698 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2I)cc1 ZINC000408778287 1071839385 /nfs/dbraw/zinc/83/93/85/1071839385.db2.gz CVGYRDKKRHYHFI-SRZZPIQSSA-N -1 0 645.291 6.224 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409045064 1071842537 /nfs/dbraw/zinc/84/25/37/1071842537.db2.gz YAANHXIMIGRLNQ-VXLYETTFSA-N -1 0 590.199 5.302 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408777527 1071844049 /nfs/dbraw/zinc/84/40/49/1071844049.db2.gz BJBPZYJDOVODPD-YBFXNURJSA-N -1 0 603.756 5.098 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408777368 1071844663 /nfs/dbraw/zinc/84/46/63/1071844663.db2.gz ZETBAWBODIDGBA-WSDLNYQXSA-N -1 0 522.960 5.740 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409045001 1071844781 /nfs/dbraw/zinc/84/47/81/1071844781.db2.gz XDLOANSJFBLWTH-SSDVNMTOSA-N -1 0 551.813 7.045 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000408786984 1071846440 /nfs/dbraw/zinc/84/64/40/1071846440.db2.gz ZDPMCZWUWGBSRS-GIJQJNRQSA-N -1 0 716.551 6.715 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408786623 1071848211 /nfs/dbraw/zinc/84/82/11/1071848211.db2.gz TVQIURFGBDJITD-OKCVXOCRSA-N -1 0 549.740 6.702 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408786505 1071849806 /nfs/dbraw/zinc/84/98/06/1071849806.db2.gz RMUMLLBXAQHWMD-SRZZPIQSSA-N -1 0 614.290 6.082 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409044433 1071850195 /nfs/dbraw/zinc/85/01/95/1071850195.db2.gz CUZMDHLJGPRLRP-VXLYETTFSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409044410 1071850495 /nfs/dbraw/zinc/85/04/95/1071850495.db2.gz CQRXYRVHYOIWMY-RQZCQDPDSA-N -1 0 619.197 5.504 40 10 KKCBRM CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409044219 1071851016 /nfs/dbraw/zinc/85/10/16/1071851016.db2.gz ULWDJPIJLSKMGG-VIZOYTHASA-N -1 0 601.089 5.675 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409044290 1071851779 /nfs/dbraw/zinc/85/17/79/1071851779.db2.gz BPMALWIMWSQYOX-LICLKQGHSA-N -1 0 519.743 6.031 40 10 KKCBRM CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409044042 1071852163 /nfs/dbraw/zinc/85/21/63/1071852163.db2.gz APMAQKYEUFEXLB-YDZHTSKRSA-N -1 0 539.415 6.274 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409044045 1071852250 /nfs/dbraw/zinc/85/22/50/1071852250.db2.gz APXXLUXOCOVDTP-RGVLZGJSSA-N -1 0 631.233 5.374 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408786045 1071852368 /nfs/dbraw/zinc/85/23/68/1071852368.db2.gz KJICYYBTGGTELW-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408785903 1071853670 /nfs/dbraw/zinc/85/36/70/1071853670.db2.gz JMBWNEBXOFANHN-MFKUBSTISA-N -1 0 541.003 6.446 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408785590 1071855858 /nfs/dbraw/zinc/85/58/58/1071855858.db2.gz HTLXYRUXJPEEJC-WSDLNYQXSA-N -1 0 641.418 5.460 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)c1 ZINC000408785915 1071853763 /nfs/dbraw/zinc/85/37/63/1071853763.db2.gz JTJMIYDFXNVZMX-STBIYBPSSA-N -1 0 614.496 6.501 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409043725 1071855208 /nfs/dbraw/zinc/85/52/08/1071855208.db2.gz ADQHZMZMHXMFGK-OVCLIPMQSA-N -1 0 542.611 5.320 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408785419 1071857890 /nfs/dbraw/zinc/85/78/90/1071857890.db2.gz ZETXPYYLRYEMJB-YBFXNURJSA-N -1 0 571.413 5.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408784721 1071861408 /nfs/dbraw/zinc/86/14/08/1071861408.db2.gz SDFPXKQKSUPLMC-UDWIEESQSA-N -1 0 590.655 6.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409043010 1071862515 /nfs/dbraw/zinc/86/25/15/1071862515.db2.gz PBSSZJDJQMWXQO-LICLKQGHSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408784203 1071866037 /nfs/dbraw/zinc/86/60/37/1071866037.db2.gz PGZSYEVRGOQXPL-KEBDBYFISA-N -1 0 584.810 5.873 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)c1 ZINC000408784258 1071866091 /nfs/dbraw/zinc/86/60/91/1071866091.db2.gz UYZWXHGJKUAIKN-VXLYETTFSA-N -1 0 513.352 5.995 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000408783713 1071867462 /nfs/dbraw/zinc/86/74/62/1071867462.db2.gz ORXKIXODVAHCBW-OCSSWDANSA-N -1 0 547.699 6.791 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408783769 1071868140 /nfs/dbraw/zinc/86/81/40/1071868140.db2.gz MQGWRGOYSKWUGW-ZVHZXABRSA-N -1 0 652.872 6.742 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408783452 1071869537 /nfs/dbraw/zinc/86/95/37/1071869537.db2.gz PGIZOXLOJMJMNT-DJKKODMXSA-N -1 0 559.833 6.518 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2I)cc1 ZINC000408783443 1071869764 /nfs/dbraw/zinc/86/97/64/1071869764.db2.gz PFDNGHYNVNHKRJ-FYJGNVAPSA-N -1 0 552.368 5.153 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408797153 1071876837 /nfs/dbraw/zinc/87/68/37/1071876837.db2.gz BKYNBHLCXPOVEV-YBFXNURJSA-N -1 0 515.780 6.201 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408797229 1071876861 /nfs/dbraw/zinc/87/68/61/1071876861.db2.gz BZIWSZSXVQGMEH-PCLIKHOPSA-N -1 0 523.501 5.002 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)C(=O)[N-]C1=S ZINC000408783234 1071872506 /nfs/dbraw/zinc/87/25/06/1071872506.db2.gz LKOBBNNNFJLVDD-UDWIEESQSA-N -1 0 630.358 6.193 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408782980 1071873005 /nfs/dbraw/zinc/87/30/05/1071873005.db2.gz LPIWBAAPCAKNEX-CVKSISIWSA-N -1 0 599.481 6.863 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408797069 1071877432 /nfs/dbraw/zinc/87/74/32/1071877432.db2.gz FPWBCQDMWXFZMI-WSDLNYQXSA-N -1 0 549.967 5.509 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408794704 1071884658 /nfs/dbraw/zinc/88/46/58/1071884658.db2.gz AZEDZOSYDMTLIE-WSDLNYQXSA-N -1 0 525.388 5.810 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408794643 1071883754 /nfs/dbraw/zinc/88/37/54/1071883754.db2.gz AEJFJJWYHIMLKD-VCHYOVAHSA-N -1 0 637.257 6.160 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409041192 1071884003 /nfs/dbraw/zinc/88/40/03/1071884003.db2.gz JBEGKMWDSYGFPQ-CVKSISIWSA-N -1 0 696.779 7.689 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408796870 1071877994 /nfs/dbraw/zinc/87/79/94/1071877994.db2.gz FANMTEOISBPVPJ-SRZZPIQSSA-N -1 0 525.388 5.864 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409041544 1071878215 /nfs/dbraw/zinc/87/82/15/1071878215.db2.gz JYIXNENOGJNQAK-VCHYOVAHSA-N -1 0 680.282 5.681 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408796303 1071879169 /nfs/dbraw/zinc/87/91/69/1071879169.db2.gz ABDHHRHGPSKQCX-UFWORHAWSA-N -1 0 594.278 7.253 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408796135 1071880036 /nfs/dbraw/zinc/88/00/36/1071880036.db2.gz DRWCRJJVHBVMIL-LZYBPNLTSA-N -1 0 580.251 6.863 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000409040540 1071888459 /nfs/dbraw/zinc/88/84/59/1071888459.db2.gz GOBRJJMDJRKCTC-RGVLZGJSSA-N -1 0 618.253 5.995 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408791164 1071891064 /nfs/dbraw/zinc/89/10/64/1071891064.db2.gz VALOCYHNTFYFEM-FYJGNVAPSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408791233 1071891678 /nfs/dbraw/zinc/89/16/78/1071891678.db2.gz XNTGUANQNPTOGM-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000408790555 1071892929 /nfs/dbraw/zinc/89/29/29/1071892929.db2.gz SJPIITLOLJQXIU-KEBDBYFISA-N -1 0 723.261 5.666 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000409039997 1071894171 /nfs/dbraw/zinc/89/41/71/1071894171.db2.gz FAFRZZGHDKZCFK-CIAFOILYSA-N -1 0 545.806 6.291 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409039692 1071896329 /nfs/dbraw/zinc/89/63/29/1071896329.db2.gz DAUFZYZWYIPVBP-DHRITJCHSA-N -1 0 642.322 8.125 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408806466 1071903846 /nfs/dbraw/zinc/90/38/46/1071903846.db2.gz NGRNYDXTLDWPAL-DJKKODMXSA-N -1 0 633.782 5.107 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)c1C ZINC000408806404 1071904431 /nfs/dbraw/zinc/90/44/31/1071904431.db2.gz MZLMHOVEGMEQBN-BUVRLJJBSA-N -1 0 545.422 7.009 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408805929 1071905006 /nfs/dbraw/zinc/90/50/06/1071905006.db2.gz CNQNVCXKOGUNQQ-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408805809 1071905629 /nfs/dbraw/zinc/90/56/29/1071905629.db2.gz LRYFOJOANYDEGK-LPYMAVHISA-N -1 0 610.448 5.861 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000408805836 1071905664 /nfs/dbraw/zinc/90/56/64/1071905664.db2.gz HVYMAIZNHIGMHP-GZTJUZNOSA-N -1 0 550.225 6.854 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409039201 1071899729 /nfs/dbraw/zinc/89/97/29/1071899729.db2.gz BXCBYVNDBBMISD-CXUHLZMHSA-N -1 0 536.198 6.546 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408807069 1071901382 /nfs/dbraw/zinc/90/13/82/1071901382.db2.gz KBZRGKNCCGBRHQ-GIJQJNRQSA-N -1 0 651.284 6.469 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409039136 1071901878 /nfs/dbraw/zinc/90/18/78/1071901878.db2.gz BOZRQVBIBVCVDU-VCHYOVAHSA-N -1 0 601.207 5.365 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000408807032 1071901910 /nfs/dbraw/zinc/90/19/10/1071901910.db2.gz CNUFNWYQKOSOTE-RGVLZGJSSA-N -1 0 616.839 5.897 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408806782 1071902063 /nfs/dbraw/zinc/90/20/63/1071902063.db2.gz BSKCUNYAPZVNLW-AWQFTUOYSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408798028 1071913082 /nfs/dbraw/zinc/91/30/82/1071913082.db2.gz DMXDOPAQQAMGNP-VXLYETTFSA-N -1 0 603.842 6.078 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408805089 1071907969 /nfs/dbraw/zinc/90/79/69/1071907969.db2.gz DMKUPGWKOOXVTJ-VCHYOVAHSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408805118 1071908167 /nfs/dbraw/zinc/90/81/67/1071908167.db2.gz DZODSQQQJSZHBT-YBFXNURJSA-N -1 0 651.284 6.551 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408805139 1071908254 /nfs/dbraw/zinc/90/82/54/1071908254.db2.gz ISCIQWKLAITLCP-OEAKJJBVSA-N -1 0 562.365 6.300 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408804846 1071908709 /nfs/dbraw/zinc/90/87/09/1071908709.db2.gz ZRWDYNVAQORDMS-UDWIEESQSA-N -1 0 630.866 6.206 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)c1 ZINC000408803224 1071909873 /nfs/dbraw/zinc/90/98/73/1071909873.db2.gz MQVJFZFTBZLRBN-PCLIKHOPSA-N -1 0 541.401 6.156 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)c(C)c1 ZINC000408803245 1071909979 /nfs/dbraw/zinc/90/99/79/1071909979.db2.gz MXGPQBKPKRIEAN-PCLIKHOPSA-N -1 0 510.977 6.355 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408802291 1071911816 /nfs/dbraw/zinc/91/18/16/1071911816.db2.gz YAPAYFFOYWYLGR-BUVRLJJBSA-N -1 0 512.949 5.747 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409047455 1071915565 /nfs/dbraw/zinc/91/55/65/1071915565.db2.gz OVRVPTNOTSFRFM-GIJQJNRQSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409054468 1071917280 /nfs/dbraw/zinc/91/72/80/1071917280.db2.gz GIVAVDQEMBMXMJ-DJKKODMXSA-N -1 0 580.251 6.944 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409054497 1071917397 /nfs/dbraw/zinc/91/73/97/1071917397.db2.gz GPZMHODOTYFLBZ-VXLYETTFSA-N -1 0 536.198 6.546 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409056999 1071918710 /nfs/dbraw/zinc/91/87/10/1071918710.db2.gz OFRPDOBBCZZADE-DJKKODMXSA-N -1 0 566.224 6.554 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000409056508 1071921433 /nfs/dbraw/zinc/92/14/33/1071921433.db2.gz MOFCWQDLWSXAGC-UDWIEESQSA-N -1 0 613.262 5.204 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409055996 1071923766 /nfs/dbraw/zinc/92/37/66/1071923766.db2.gz KJWNIHSQRYQGSM-DJKKODMXSA-N -1 0 594.234 6.332 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409055501 1071927827 /nfs/dbraw/zinc/92/78/27/1071927827.db2.gz IYGSFKUHICPGCH-CVKSISIWSA-N -1 0 676.361 7.344 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409055603 1071926528 /nfs/dbraw/zinc/92/65/28/1071926528.db2.gz JMSRKANMHDPQMH-XDHOZWIPSA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C1=O ZINC000409053942 1071935635 /nfs/dbraw/zinc/93/56/35/1071935635.db2.gz DWEGJSFLRUDJOI-QGMBQPNBSA-N -1 0 683.578 7.181 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409050102 1071960587 /nfs/dbraw/zinc/96/05/87/1071960587.db2.gz YUSDDESJNDAOKQ-CVKSISIWSA-N -1 0 652.328 7.580 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409050540 1071957388 /nfs/dbraw/zinc/95/73/88/1071957388.db2.gz WUCOJRAIQBBPTR-RQZCQDPDSA-N -1 0 550.225 6.854 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409050184 1071958972 /nfs/dbraw/zinc/95/89/72/1071958972.db2.gz ZZRAAYZMSOANND-RGVLZGJSSA-N -1 0 612.864 5.494 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409050029 1071960048 /nfs/dbraw/zinc/96/00/48/1071960048.db2.gz ZNOYWGPMTQOUKT-SSDVNMTOSA-N -1 0 562.365 6.300 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409050034 1071960094 /nfs/dbraw/zinc/96/00/94/1071960094.db2.gz SCWBDJJYOQDEAU-GIJQJNRQSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409050776 1071955816 /nfs/dbraw/zinc/95/58/16/1071955816.db2.gz ZPIMHBKQKVTDNL-GIJQJNRQSA-N -1 0 530.295 5.286 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409049583 1071963468 /nfs/dbraw/zinc/96/34/68/1071963468.db2.gz WTDDHTURHWDOQD-DJKKODMXSA-N -1 0 604.682 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409049699 1071963840 /nfs/dbraw/zinc/96/38/40/1071963840.db2.gz XVSSTBKTFJMFDP-WSDLNYQXSA-N -1 0 622.269 6.316 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409048524 1071971571 /nfs/dbraw/zinc/97/15/71/1071971571.db2.gz ROBUVKUPZUZAPS-CAOOACKPSA-N -1 0 519.743 6.031 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409047930 1071977245 /nfs/dbraw/zinc/97/72/45/1071977245.db2.gz QBZPFDAIJYFUOQ-YZSQISJMSA-N -1 0 582.012 5.603 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409047636 1071979276 /nfs/dbraw/zinc/97/92/76/1071979276.db2.gz PAKSCLLQZLMBDE-VCHYOVAHSA-N -1 0 559.789 5.679 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409059153 1071983385 /nfs/dbraw/zinc/98/33/85/1071983385.db2.gz ULSVLTLOQUZDQG-QGMBQPNBSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409058805 1071984318 /nfs/dbraw/zinc/98/43/18/1071984318.db2.gz TXGMTWGFCKKDLS-CAOOACKPSA-N -1 0 643.090 6.903 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1Cl ZINC000409058715 1071985931 /nfs/dbraw/zinc/98/59/31/1071985931.db2.gz SQZUDICNKYPSGT-DJKKODMXSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1C ZINC000409063124 1071997008 /nfs/dbraw/zinc/99/70/08/1071997008.db2.gz HIMVRKQWDLQTKL-FYJGNVAPSA-N -1 0 589.851 5.153 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409066478 1071995410 /nfs/dbraw/zinc/99/54/10/1071995410.db2.gz OVIHNOSHWHFBPQ-GIJQJNRQSA-N -1 0 689.165 6.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067115 1071998160 /nfs/dbraw/zinc/99/81/60/1071998160.db2.gz NTYNFYHRIWWIDV-YBFXNURJSA-N -1 0 640.295 5.589 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)c(Br)c1 ZINC000409066980 1071999059 /nfs/dbraw/zinc/99/90/59/1071999059.db2.gz OJWMKZQOPVXNNY-UVTDQMKNSA-N -1 0 520.166 5.991 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066919 1072000600 /nfs/dbraw/zinc/00/06/00/1072000600.db2.gz DJLLKTGMLAFYBC-VXLYETTFSA-N -1 0 701.322 5.739 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1Cl ZINC000409065523 1072008478 /nfs/dbraw/zinc/00/84/78/1072008478.db2.gz JCDMJLQFCZILKT-RQZCQDPDSA-N -1 0 565.818 5.389 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065521 1072008619 /nfs/dbraw/zinc/00/86/19/1072008619.db2.gz MGXUPWLYVFXAOR-VXLYETTFSA-N -1 0 654.322 5.897 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409066118 1072004577 /nfs/dbraw/zinc/00/45/77/1072004577.db2.gz APLPYNRZSQRHAY-LICLKQGHSA-N -1 0 689.165 6.261 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409064054 1072017537 /nfs/dbraw/zinc/01/75/37/1072017537.db2.gz BIZJUBOIBLRLTF-WOJGMQOQSA-N -1 0 503.794 6.464 40 10 KKCBRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000409062604 1072023431 /nfs/dbraw/zinc/02/34/31/1072023431.db2.gz XMQPFZJAKVIWRJ-UHFFFAOYSA-N -1 0 506.005 5.550 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409060287 1072035269 /nfs/dbraw/zinc/03/52/69/1072035269.db2.gz ZGKKBQFJOYHXAH-LZYBPNLTSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409060414 1072034476 /nfs/dbraw/zinc/03/44/76/1072034476.db2.gz ZSQDEPQZZNOVFT-CXUHLZMHSA-N -1 0 536.198 6.546 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077214 1072041762 /nfs/dbraw/zinc/04/17/62/1072041762.db2.gz CWMQPIVOJHKQQQ-LZYBPNLTSA-N -1 0 651.304 5.752 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409076452 1072050386 /nfs/dbraw/zinc/05/03/86/1072050386.db2.gz AKZOWUUJCQMZSZ-RQZCQDPDSA-N -1 0 601.311 5.055 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075298 1072061352 /nfs/dbraw/zinc/06/13/52/1072061352.db2.gz QNTNAWVNARTGCX-VXLYETTFSA-N -1 0 687.295 5.431 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074888 1072065088 /nfs/dbraw/zinc/06/50/88/1072065088.db2.gz NTZJMLLUDVXCKU-VXLYETTFSA-N -1 0 640.295 5.589 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409074326 1072068683 /nfs/dbraw/zinc/06/86/83/1072068683.db2.gz ZBRYRXYBEKPRBR-YBFXNURJSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074228 1072070025 /nfs/dbraw/zinc/07/00/25/1072070025.db2.gz LCGQMUQFKWDPKW-VCHYOVAHSA-N -1 0 656.692 5.005 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073312 1072076624 /nfs/dbraw/zinc/07/66/24/1072076624.db2.gz MDOMIHRWOKYBMF-LICLKQGHSA-N -1 0 586.236 5.734 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409073710 1072072668 /nfs/dbraw/zinc/07/26/68/1072072668.db2.gz RFGQLRFNTXUJMI-LICLKQGHSA-N -1 0 580.209 5.672 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409072758 1072081282 /nfs/dbraw/zinc/08/12/82/1072081282.db2.gz KWQUQILAKTYABH-LICLKQGHSA-N -1 0 687.295 5.431 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071415 1072090045 /nfs/dbraw/zinc/09/00/45/1072090045.db2.gz RHEUWUQMFQEUTM-WOJGMQOQSA-N -1 0 595.844 5.480 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409070705 1072094570 /nfs/dbraw/zinc/09/45/70/1072094570.db2.gz GKYQLRIEEROTME-UHFFFAOYSA-N -1 0 587.415 6.854 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409069818 1072100472 /nfs/dbraw/zinc/10/04/72/1072100472.db2.gz AMESIZRKMXGMIU-PCLIKHOPSA-N -1 0 667.921 6.116 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069535 1072103226 /nfs/dbraw/zinc/10/32/26/1072103226.db2.gz LHOKKLOYHGKSKO-UDWIEESQSA-N -1 0 575.426 5.135 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409068385 1072113113 /nfs/dbraw/zinc/11/31/13/1072113113.db2.gz SMRFCVWAQHYHOW-MHWRWJLKSA-N -1 0 596.242 5.190 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068397 1072110695 /nfs/dbraw/zinc/11/06/95/1072110695.db2.gz SNQSIOAREYRQDQ-LZYBPNLTSA-N -1 0 707.713 5.694 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080417 1072123270 /nfs/dbraw/zinc/12/32/70/1072123270.db2.gz HWNIDZRAVGFXPI-RIYZIHGNSA-N -1 0 577.720 5.922 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079840 1072129245 /nfs/dbraw/zinc/12/92/45/1072129245.db2.gz GORDYCAPMPTGIQ-ZVHZXABRSA-N -1 0 750.458 6.544 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409078983 1072139971 /nfs/dbraw/zinc/13/99/71/1072139971.db2.gz JWUUQOGZIQJYSQ-YBFXNURJSA-N -1 0 711.387 6.474 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409079460 1072135006 /nfs/dbraw/zinc/13/50/06/1072135006.db2.gz BHTKFTGJVFEHBW-WQRHYEAKSA-N -1 0 576.281 5.835 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409079065 1072137622 /nfs/dbraw/zinc/13/76/22/1072137622.db2.gz JYTMKOLPXQBFMR-OVCLIPMQSA-N -1 0 655.177 6.597 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409079020 1072140420 /nfs/dbraw/zinc/14/04/20/1072140420.db2.gz KFWSBLVZPWYMKN-RQZCQDPDSA-N -1 0 699.230 6.996 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409078615 1072141700 /nfs/dbraw/zinc/14/17/00/1072141700.db2.gz IWMVTYICQNMWMK-OVCLIPMQSA-N -1 0 680.649 6.449 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078125 1072149131 /nfs/dbraw/zinc/14/91/31/1072149131.db2.gz HADOXMFPCZKHEO-CAOOACKPSA-N -1 0 692.806 5.927 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409077685 1072153705 /nfs/dbraw/zinc/15/37/05/1072153705.db2.gz GLCSMYIZBHXWCR-MHWRWJLKSA-N -1 0 580.302 6.688 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086874 1072161785 /nfs/dbraw/zinc/16/17/85/1072161785.db2.gz BPKSURMABGHLEA-FRKPEAEDSA-N -1 0 651.304 5.752 40 10 KKCBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409086138 1072170436 /nfs/dbraw/zinc/17/04/36/1072170436.db2.gz FTLSUCJYYZYPSN-NTEUORMPSA-N -1 0 523.836 5.040 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084852 1072185373 /nfs/dbraw/zinc/18/53/73/1072185373.db2.gz XRMYPAGRGXXIJR-WOJGMQOQSA-N -1 0 557.437 5.177 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409084642 1072186445 /nfs/dbraw/zinc/18/64/45/1072186445.db2.gz VUUVKXKAGMRVDK-ONUIUJJFSA-N -1 0 553.014 6.850 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Br)cc1 ZINC000409084009 1072195963 /nfs/dbraw/zinc/19/59/63/1072195963.db2.gz VBGXHSNRWCWIFL-IWIPYMOSSA-N -1 0 632.308 7.323 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409082293 1072212947 /nfs/dbraw/zinc/21/29/47/1072212947.db2.gz SCEAPHDSRMMYKK-OQLLNIDSSA-N -1 0 580.302 6.688 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081811 1072220841 /nfs/dbraw/zinc/22/08/41/1072220841.db2.gz IBLKMLBCHZESON-OVCLIPMQSA-N -1 0 631.779 5.695 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087323 1072228704 /nfs/dbraw/zinc/22/87/04/1072228704.db2.gz SXOWBUOSTOKHJQ-XNTDXEJSSA-N -1 0 587.726 5.378 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000409097275 1072229563 /nfs/dbraw/zinc/22/95/63/1072229563.db2.gz MAFYILZBALINCE-OQLLNIDSSA-N -1 0 568.301 6.640 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409095834 1072238526 /nfs/dbraw/zinc/23/85/26/1072238526.db2.gz IMPCAYMQPDQJHQ-ONUIUJJFSA-N -1 0 537.641 5.610 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)SC1=S ZINC000409095199 1072241468 /nfs/dbraw/zinc/24/14/68/1072241468.db2.gz GQUNMDNZVHUPOA-FYJGNVAPSA-N -1 0 528.449 5.857 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409327224 1072242327 /nfs/dbraw/zinc/24/23/27/1072242327.db2.gz IICVFPFDDILCEU-DJKKODMXSA-N -1 0 630.394 6.951 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409093307 1072254586 /nfs/dbraw/zinc/25/45/86/1072254586.db2.gz YSLXIHFCFWZDCV-ZDLGFXPLSA-N -1 0 545.857 6.034 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000409093834 1072249705 /nfs/dbraw/zinc/24/97/05/1072249705.db2.gz ARMUTFBEPJAJOK-RCCKNPSSSA-N -1 0 510.421 6.410 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092949 1072257424 /nfs/dbraw/zinc/25/74/24/1072257424.db2.gz XAMXAOCBBWVJAC-LICLKQGHSA-N -1 0 566.275 6.379 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093007 1072257913 /nfs/dbraw/zinc/25/79/13/1072257913.db2.gz XHWZSUBPWYWCQI-CXUHLZMHSA-N -1 0 653.307 5.686 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089723 1072286161 /nfs/dbraw/zinc/28/61/61/1072286161.db2.gz JPWILDOJMBMCPW-LICLKQGHSA-N -1 0 531.830 5.726 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409089133 1072291365 /nfs/dbraw/zinc/29/13/65/1072291365.db2.gz HJBUUWRFWXOJDZ-LZYBPNLTSA-N -1 0 624.311 6.166 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409088481 1072298618 /nfs/dbraw/zinc/29/86/18/1072298618.db2.gz FRAYSMCJBSULFF-VCHYOVAHSA-N -1 0 697.360 6.084 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409088183 1072300967 /nfs/dbraw/zinc/30/09/67/1072300967.db2.gz FFQXHMNZHYQBKZ-YBFXNURJSA-N -1 0 619.936 6.523 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409088172 1072301075 /nfs/dbraw/zinc/30/10/75/1072301075.db2.gz FCULVRHVURSDAW-OVCLIPMQSA-N -1 0 703.649 7.559 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000409099945 1072322458 /nfs/dbraw/zinc/32/24/58/1072322458.db2.gz RYSIOQAVPMIALK-VSXLWIIGSA-N -1 0 512.187 5.600 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC ZINC000409098144 1072334023 /nfs/dbraw/zinc/33/40/23/1072334023.db2.gz INPFZCZKCSUOMT-XYOKQWHBSA-N -1 0 575.186 5.062 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409098134 1072334042 /nfs/dbraw/zinc/33/40/42/1072334042.db2.gz INANEMSKVKVSEP-WSDLNYQXSA-N -1 0 604.931 7.184 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409097938 1072334575 /nfs/dbraw/zinc/33/45/75/1072334575.db2.gz OJIBXMGKPSGCFF-LICLKQGHSA-N -1 0 563.304 6.303 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1O ZINC000409107011 1072340172 /nfs/dbraw/zinc/34/01/72/1072340172.db2.gz PROHMWMMNQUAAF-RMKNXTFCSA-N -1 0 579.028 5.289 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409107049 1072340771 /nfs/dbraw/zinc/34/07/71/1072340771.db2.gz OLEUCZQMROGSDB-JFLMPSFJSA-N -1 0 649.121 7.423 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S ZINC000409334245 1072348461 /nfs/dbraw/zinc/34/84/61/1072348461.db2.gz WHUSZRVBNMHKRY-WCSRMQSCSA-N -1 0 612.148 6.383 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409332895 1072357706 /nfs/dbraw/zinc/35/77/06/1072357706.db2.gz SRFHSJYRPBSZMP-FYJGNVAPSA-N -1 0 541.632 5.180 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409103348 1072360928 /nfs/dbraw/zinc/36/09/28/1072360928.db2.gz WDOUYTFGDPRIAS-UYRXBGFRSA-N -1 0 511.024 5.340 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2Br)cc1 ZINC000409103066 1072362689 /nfs/dbraw/zinc/36/26/89/1072362689.db2.gz DBPBHSKJAIVVLB-WSDLNYQXSA-N -1 0 540.460 6.441 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409114076 1072369631 /nfs/dbraw/zinc/36/96/31/1072369631.db2.gz IMUCSCAPBQVBHY-GXDHUFHOSA-N -1 0 523.203 6.374 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC1=S)c1cccs1 ZINC000409330542 1072376312 /nfs/dbraw/zinc/37/63/12/1072376312.db2.gz KQWYXSOYVSVJJD-HZHRSRAPSA-N -1 0 502.642 6.027 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409108871 1072403472 /nfs/dbraw/zinc/40/34/72/1072403472.db2.gz YNTGWZHAYVIHDM-LICLKQGHSA-N -1 0 546.849 5.789 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)cc1 ZINC000409108217 1072409594 /nfs/dbraw/zinc/40/95/94/1072409594.db2.gz SJRQAGTXNOFFOC-DEDYPNTBSA-N -1 0 547.398 5.562 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409345432 1072424795 /nfs/dbraw/zinc/42/47/95/1072424795.db2.gz IIKBVSLIRHYNHR-HMAPJEAMSA-N -1 0 553.687 5.019 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OC ZINC000409127147 1072447733 /nfs/dbraw/zinc/44/77/33/1072447733.db2.gz PCVRDNBRJTZEKW-RGVLZGJSSA-N -1 0 587.431 6.171 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1OC ZINC000409125324 1072461932 /nfs/dbraw/zinc/46/19/32/1072461932.db2.gz JTGQOFNJVYHBNV-FYJGNVAPSA-N -1 0 676.333 6.389 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409124743 1072465436 /nfs/dbraw/zinc/46/54/36/1072465436.db2.gz CJUJKZZQPXKPSC-HZHRSRAPSA-N -1 0 613.892 6.141 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c1C)CCCC2 ZINC000409136520 1072478608 /nfs/dbraw/zinc/47/86/08/1072478608.db2.gz XBGGBLDJWKRZKN-PXLXIMEGSA-N -1 0 561.729 5.659 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409338641 1072481840 /nfs/dbraw/zinc/48/18/40/1072481840.db2.gz NKPYANJNXXAGKJ-NVMNQCDNSA-N -1 0 510.807 7.011 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1OC ZINC000409135801 1072483151 /nfs/dbraw/zinc/48/31/51/1072483151.db2.gz QRIBEVCJGNULES-SRZZPIQSSA-N -1 0 676.333 6.389 40 10 KKCBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338077 1072488213 /nfs/dbraw/zinc/48/82/13/1072488213.db2.gz CPDCAWYKACGCNJ-WLRTZDKTSA-N -1 0 678.536 6.423 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409337947 1072489446 /nfs/dbraw/zinc/48/94/46/1072489446.db2.gz ADRXXYQKHIUGRM-NDENLUEZSA-N -1 0 593.521 6.174 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1OC ZINC000409134813 1072490432 /nfs/dbraw/zinc/49/04/32/1072490432.db2.gz PJJZDKIBPRBHQA-NLRVBDNBSA-N -1 0 568.601 6.017 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133896 1072496043 /nfs/dbraw/zinc/49/60/43/1072496043.db2.gz QXGZHFWOKCXRTL-YDZHTSKRSA-N -1 0 704.945 6.382 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409133902 1072496068 /nfs/dbraw/zinc/49/60/68/1072496068.db2.gz QXXCPBONGWFZFK-OVVQPSECSA-N -1 0 568.601 6.017 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c(OCCC)cc3Br)C2=O)cc1OCC ZINC000409357308 1072497717 /nfs/dbraw/zinc/49/77/17/1072497717.db2.gz PUHLZFBFTSTMFP-CPNJWEJPSA-N -1 0 575.456 5.491 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409354668 1072514540 /nfs/dbraw/zinc/51/45/40/1072514540.db2.gz AXMBEJPPFIBZAT-QPEQYQDCSA-N -1 0 528.186 5.220 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409129063 1072522430 /nfs/dbraw/zinc/52/24/30/1072522430.db2.gz JWOAQWYHPPOVSW-WPWMEQJKSA-N -1 0 515.638 6.291 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1ccccc1F ZINC000409352210 1072530450 /nfs/dbraw/zinc/53/04/50/1072530450.db2.gz WYKDTMAECJEMKO-QPEQYQDCSA-N -1 0 583.185 5.146 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409142800 1072545961 /nfs/dbraw/zinc/54/59/61/1072545961.db2.gz BIQFJBKMYDRSMN-HYARGMPZSA-N -1 0 500.023 5.791 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409349953 1072546601 /nfs/dbraw/zinc/54/66/01/1072546601.db2.gz WRQZYKMIAQMOGV-RGVLZGJSSA-N -1 0 595.602 6.412 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OC ZINC000409141536 1072551930 /nfs/dbraw/zinc/55/19/30/1072551930.db2.gz VHAXNLKFNGEXCO-SRZZPIQSSA-N -1 0 587.431 6.171 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409141631 1072552579 /nfs/dbraw/zinc/55/25/79/1072552579.db2.gz ATXFUJICISMWRJ-WPWMEQJKSA-N -1 0 552.612 5.816 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409141427 1072553217 /nfs/dbraw/zinc/55/32/17/1072553217.db2.gz INKIGJIOGYVXGB-WSDLNYQXSA-N -1 0 541.423 5.557 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)SC2=S)c(Cl)c1 ZINC000409141118 1072554496 /nfs/dbraw/zinc/55/44/96/1072554496.db2.gz MCEKOJBBSOAOAH-GRSHGNNSSA-N -1 0 533.414 5.806 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409140684 1072557725 /nfs/dbraw/zinc/55/77/25/1072557725.db2.gz HUVBJTRAYWPWDC-CIAFOILYSA-N -1 0 508.441 5.305 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409366057 1072576752 /nfs/dbraw/zinc/57/67/52/1072576752.db2.gz XRSHWJVXZDZCGW-ODLFYWEKSA-N -1 0 630.854 5.633 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)cc1Cl ZINC000409365694 1072577649 /nfs/dbraw/zinc/57/76/49/1072577649.db2.gz VWCJWUVMXYMACW-VXLYETTFSA-N -1 0 586.801 5.234 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000409365587 1072578620 /nfs/dbraw/zinc/57/86/20/1072578620.db2.gz UFSIYRQXXQRTHI-RGVLZGJSSA-N -1 0 542.350 5.125 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c2-c2ccccc2)cc1 ZINC000409146318 1072582841 /nfs/dbraw/zinc/58/28/41/1072582841.db2.gz SYYGBIOEPZPLHY-VAMRJTSQSA-N -1 0 625.750 7.436 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364558 1072583574 /nfs/dbraw/zinc/58/35/74/1072583574.db2.gz QEIVACOWUZEAPS-KEBDBYFISA-N -1 0 616.827 5.324 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409145898 1072585642 /nfs/dbraw/zinc/58/56/42/1072585642.db2.gz SKEUJWDSMHWEGB-SSDVNMTOSA-N -1 0 647.939 7.084 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409363175 1072590707 /nfs/dbraw/zinc/59/07/07/1072590707.db2.gz KCKOPFDNWTYMDF-YSMPRRRNSA-N -1 0 630.028 5.751 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409363273 1072591093 /nfs/dbraw/zinc/59/10/93/1072591093.db2.gz LCXRNWFZLFTBEC-OEAKJJBVSA-N -1 0 731.515 5.700 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409362056 1072596348 /nfs/dbraw/zinc/59/63/48/1072596348.db2.gz FIOTYVQIHUOOSV-KEBDBYFISA-N -1 0 630.854 5.633 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409154158 1072607782 /nfs/dbraw/zinc/60/77/82/1072607782.db2.gz MXOSGRZHQLHMNZ-SWYRRKHMSA-N -1 0 520.423 6.870 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409375885 1072630679 /nfs/dbraw/zinc/63/06/79/1072630679.db2.gz QLJBBTZUVAHVMO-SRZZPIQSSA-N -1 0 584.412 5.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409375722 1072631124 /nfs/dbraw/zinc/63/11/24/1072631124.db2.gz OLEAYEMZNMWVKE-YBFXNURJSA-N -1 0 598.439 5.393 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409375176 1072633267 /nfs/dbraw/zinc/63/32/67/1072633267.db2.gz GSLKVNMSFJWZRM-CIAFOILYSA-N -1 0 616.452 5.412 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409374576 1072635856 /nfs/dbraw/zinc/63/58/56/1072635856.db2.gz UEKIQPASBWQUNN-RQZCQDPDSA-N -1 0 594.245 5.989 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)SC2=S)c(Cl)c1 ZINC000409149294 1072636689 /nfs/dbraw/zinc/63/66/89/1072636689.db2.gz ASJLHQFMALSLEP-GRSHGNNSSA-N -1 0 533.414 5.806 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409374245 1072639930 /nfs/dbraw/zinc/63/99/30/1072639930.db2.gz ZUEVJVVYEMYDRB-VCHYOVAHSA-N -1 0 560.198 5.046 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000409373459 1072641785 /nfs/dbraw/zinc/64/17/85/1072641785.db2.gz SWWXAPXSMWCAKU-LPYMAVHISA-N -1 0 578.362 5.278 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409148421 1072642199 /nfs/dbraw/zinc/64/21/99/1072642199.db2.gz ZBFRPPFIIMQRFF-TURZUDJPSA-N -1 0 564.638 6.187 40 10 KKCBRM Cc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409372058 1072647794 /nfs/dbraw/zinc/64/77/94/1072647794.db2.gz LADLVMNRKWBCPB-KEBDBYFISA-N -1 0 561.472 6.037 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409371836 1072647820 /nfs/dbraw/zinc/64/78/20/1072647820.db2.gz IPQULACFEZNCFA-MFKUBSTISA-N -1 0 529.980 5.582 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409370975 1072651294 /nfs/dbraw/zinc/65/12/94/1072651294.db2.gz AZEXJOVUHAXUGE-WSDLNYQXSA-N -1 0 516.937 5.336 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409370492 1072653473 /nfs/dbraw/zinc/65/34/73/1072653473.db2.gz RUCBHSVWGUCMNM-YBFXNURJSA-N -1 0 598.439 5.393 40 10 KKCBRM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)ccc1Cl ZINC000409164704 1072658444 /nfs/dbraw/zinc/65/84/44/1072658444.db2.gz MKPSUPPJGQXWMP-OYKKKHCWSA-N -1 0 597.045 6.239 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409164400 1072660084 /nfs/dbraw/zinc/66/00/84/1072660084.db2.gz HZFXAMYFJQPZIW-KYTVRQNUSA-N -1 0 554.868 7.523 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409369292 1072660311 /nfs/dbraw/zinc/66/03/11/1072660311.db2.gz AOYWZSSEOHHLAU-YZSQISJMSA-N -1 0 537.597 5.721 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409163900 1072661635 /nfs/dbraw/zinc/66/16/35/1072661635.db2.gz ZHPDMILJERZHCC-DFXHWTJYSA-N -1 0 589.313 8.177 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccccc1F ZINC000409379257 1072671071 /nfs/dbraw/zinc/67/10/71/1072671071.db2.gz WHMXCKZYJXBOAJ-DHDCSXOGSA-N -1 0 607.219 5.579 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409378961 1072672012 /nfs/dbraw/zinc/67/20/12/1072672012.db2.gz SWOOTJNJWLBRGB-LPYMAVHISA-N -1 0 555.483 6.365 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409378199 1072677759 /nfs/dbraw/zinc/67/77/59/1072677759.db2.gz NKMYSSPPWVSTRU-LPYMAVHISA-N -1 0 566.035 5.620 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccccc2F)C1=O ZINC000409377431 1072680559 /nfs/dbraw/zinc/68/05/59/1072680559.db2.gz HXJJQOWBQJBYTJ-ATVHPVEESA-N -1 0 586.801 5.234 40 10 KKCBRM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)ccc1Cl ZINC000409158783 1072691631 /nfs/dbraw/zinc/69/16/31/1072691631.db2.gz XVNDMMLFYKEXRJ-UUYOSTAYSA-N -1 0 568.991 5.458 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1OCC ZINC000409383569 1072702393 /nfs/dbraw/zinc/70/23/93/1072702393.db2.gz XAQCHSGLSRSFPD-CJLVFECKSA-N -1 0 652.498 5.329 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166578 1072703237 /nfs/dbraw/zinc/70/32/37/1072703237.db2.gz FMONTBCBLSICCP-XFAGBWLFSA-N -1 0 540.841 7.215 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409383192 1072703365 /nfs/dbraw/zinc/70/33/65/1072703365.db2.gz SDMPBGDQSZWIEH-HYARGMPZSA-N -1 0 578.488 5.169 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409383270 1072703770 /nfs/dbraw/zinc/70/37/70/1072703770.db2.gz SVZMFPJGHCKCGE-UDWIEESQSA-N -1 0 542.886 5.904 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409382826 1072705607 /nfs/dbraw/zinc/70/56/07/1072705607.db2.gz RMEMURNRFVYOOC-CIAFOILYSA-N -1 0 585.907 6.084 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409382462 1072706588 /nfs/dbraw/zinc/70/65/88/1072706588.db2.gz MOZDZJTXVDULLM-RGVLZGJSSA-N -1 0 590.326 6.729 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409382305 1072707056 /nfs/dbraw/zinc/70/70/56/1072707056.db2.gz ZRPUVUSDOVUVAX-XDHOZWIPSA-N -1 0 673.314 5.303 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381027 1072714733 /nfs/dbraw/zinc/71/47/33/1072714733.db2.gz QYNCOAVQGUOYAV-FYJGNVAPSA-N -1 0 551.462 5.430 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409380699 1072715887 /nfs/dbraw/zinc/71/58/87/1072715887.db2.gz BEYDHHKMMLANMB-LPYMAVHISA-N -1 0 691.385 6.425 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409379396 1072722726 /nfs/dbraw/zinc/72/27/26/1072722726.db2.gz WSCUNBSHDXBNFF-YZSQISJMSA-N -1 0 537.597 5.721 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409392643 1072726202 /nfs/dbraw/zinc/72/62/02/1072726202.db2.gz NAJXJQMXBMYZJS-AFUMVMLFSA-N -1 0 561.425 6.041 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409388094 1072740366 /nfs/dbraw/zinc/74/03/66/1072740366.db2.gz UBLSHZATCQQISL-FYJGNVAPSA-N -1 0 583.479 5.960 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409387691 1072743241 /nfs/dbraw/zinc/74/32/41/1072743241.db2.gz SHHQIZYUHXDCCX-FYJGNVAPSA-N -1 0 566.433 5.330 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc(C)c3)C(=O)[N-]C2=S)cc1 ZINC000409387440 1072743300 /nfs/dbraw/zinc/74/33/00/1072743300.db2.gz QKAHZNHXSFLAHW-HZHRSRAPSA-N -1 0 535.463 5.730 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409400168 1072746650 /nfs/dbraw/zinc/74/66/50/1072746650.db2.gz PUIHETFFAHKEEX-IUXPMGMMSA-N -1 0 597.090 6.559 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc2ccccc21 ZINC000409400116 1072746726 /nfs/dbraw/zinc/74/67/26/1072746726.db2.gz OYHDQIXTLUNQJY-HAHDFKILSA-N -1 0 577.862 6.695 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(F)c1 ZINC000409399496 1072749715 /nfs/dbraw/zinc/74/97/15/1072749715.db2.gz JEUHDAWUYUVHOG-UNOMPAQXSA-N -1 0 545.792 5.681 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409398714 1072751566 /nfs/dbraw/zinc/75/15/66/1072751566.db2.gz CBFYTGCQUVKRKI-XKZIYDEJSA-N -1 0 533.809 6.296 40 10 KKCBRM O=C(COc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409398786 1072751806 /nfs/dbraw/zinc/75/18/06/1072751806.db2.gz CQYDZVXTACTDPC-ODLFYWEKSA-N -1 0 561.219 5.235 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br ZINC000409398775 1072751860 /nfs/dbraw/zinc/75/18/60/1072751860.db2.gz CNZAHPVYAJIYRY-NVMNQCDNSA-N -1 0 652.093 5.923 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1Br ZINC000409398546 1072752378 /nfs/dbraw/zinc/75/23/78/1072752378.db2.gz BZJSBXNPAXJWGN-NVMNQCDNSA-N -1 0 641.541 6.668 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409401395 1072753845 /nfs/dbraw/zinc/75/38/45/1072753845.db2.gz XYCHCYVQHFKBTQ-UNOMPAQXSA-N -1 0 615.278 5.008 40 10 KKCBRM COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1Cl ZINC000409405947 1072760131 /nfs/dbraw/zinc/76/01/31/1072760131.db2.gz IYURHKBMDQTGLZ-UNOMPAQXSA-N -1 0 513.775 5.152 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)[N-]C1=S ZINC000409186463 1072762222 /nfs/dbraw/zinc/76/22/22/1072762222.db2.gz CHMQFBSSYLWENZ-UDWIEESQSA-N -1 0 586.305 5.930 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186103 1072763670 /nfs/dbraw/zinc/76/36/70/1072763670.db2.gz WPEQXFOXFVHTOK-RJXZLTEJSA-N -1 0 684.818 7.186 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186017 1072765867 /nfs/dbraw/zinc/76/58/67/1072765867.db2.gz VCLBQPYQGNVFAZ-LSIOTESISA-N -1 0 684.818 7.186 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1Br ZINC000409404160 1072768212 /nfs/dbraw/zinc/76/82/12/1072768212.db2.gz CPFYDGHXBOLISJ-GRSHGNNSSA-N -1 0 698.149 6.255 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409404034 1072768919 /nfs/dbraw/zinc/76/89/19/1072768919.db2.gz BMLOGNKGZGXVJC-IWIPYMOSSA-N -1 0 543.417 6.041 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409400922 1072783297 /nfs/dbraw/zinc/78/32/97/1072783297.db2.gz VMBPLCKFGVLPMJ-MOSHPQCFSA-N -1 0 584.854 5.289 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182457 1072790588 /nfs/dbraw/zinc/79/05/88/1072790588.db2.gz LERYTZCAZKSTBX-YPDGVYQTSA-N -1 0 657.748 7.038 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)[n-]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182130 1072791901 /nfs/dbraw/zinc/79/19/01/1072791901.db2.gz IJRCKMGHWKADQF-WTQROMRGSA-N -1 0 724.264 5.640 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)[n-]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182128 1072792013 /nfs/dbraw/zinc/79/20/13/1072792013.db2.gz IJRCKMGHWKADQF-KESMSSKLSA-N -1 0 724.264 5.640 40 10 KKCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409409788 1072808571 /nfs/dbraw/zinc/80/85/71/1072808571.db2.gz XBHWPNZVJXSSFN-VXLYETTFSA-N -1 0 503.769 5.696 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409408110 1072818081 /nfs/dbraw/zinc/81/80/81/1072818081.db2.gz PGBFZMSCZOKEPJ-UCQKPKSFSA-N -1 0 529.390 5.651 40 10 KKCBRM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1Cl ZINC000409177509 1072822355 /nfs/dbraw/zinc/82/23/55/1072822355.db2.gz GHEYTYPXJLFPCX-NHDPSOOVSA-N -1 0 510.955 5.590 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409194992 1072839010 /nfs/dbraw/zinc/83/90/10/1072839010.db2.gz ODJYXJXBKUNZKZ-OEAKJJBVSA-N -1 0 734.565 5.225 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1OCC ZINC000409194097 1072845145 /nfs/dbraw/zinc/84/51/45/1072845145.db2.gz NUZJFYKJRAHLRW-JJIBRWJFSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409193708 1072848498 /nfs/dbraw/zinc/84/84/98/1072848498.db2.gz LMDBJJBHMAMXOL-JJIBRWJFSA-N -1 0 593.474 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192967 1072851901 /nfs/dbraw/zinc/85/19/01/1072851901.db2.gz GPUYUXIOYTZRMP-LPYMAVHISA-N -1 0 736.435 6.137 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1OCC ZINC000409192521 1072854699 /nfs/dbraw/zinc/85/46/99/1072854699.db2.gz DQZVASCAZJSLIG-OEAKJJBVSA-N -1 0 611.464 6.017 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409192218 1072856105 /nfs/dbraw/zinc/85/61/05/1072856105.db2.gz AAVPKZQUHJFNHK-OEAKJJBVSA-N -1 0 751.266 7.403 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000409192271 1072856180 /nfs/dbraw/zinc/85/61/80/1072856180.db2.gz WCVVAFRCXZMERY-WSDLNYQXSA-N -1 0 706.815 7.294 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192267 1072856301 /nfs/dbraw/zinc/85/63/01/1072856301.db2.gz CBFCSGDHWIVDGC-YDZHTSKRSA-N -1 0 597.039 5.916 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192178 1072857733 /nfs/dbraw/zinc/85/77/33/1072857733.db2.gz VGEWQWCYZGWXAE-WSDLNYQXSA-N -1 0 717.367 6.548 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1OCC ZINC000409192180 1072857807 /nfs/dbraw/zinc/85/78/07/1072857807.db2.gz VHFMPCOIXZSQBA-XYGWBWBKSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409191909 1072858346 /nfs/dbraw/zinc/85/83/46/1072858346.db2.gz QBVKIFMQXYBETE-UFFVCSGVSA-N -1 0 652.358 7.729 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191561 1072861830 /nfs/dbraw/zinc/86/18/30/1072861830.db2.gz ZBXRDPFWGZUJOX-MFKUBSTISA-N -1 0 698.554 6.427 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1OCC ZINC000409191295 1072864217 /nfs/dbraw/zinc/86/42/17/1072864217.db2.gz UVIAWNXPVZHSIZ-HAVVHWLPSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190926 1072865631 /nfs/dbraw/zinc/86/56/31/1072865631.db2.gz BNEAOZODRPNAEH-YDZHTSKRSA-N -1 0 641.490 6.025 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409190895 1072865938 /nfs/dbraw/zinc/86/59/38/1072865938.db2.gz AVKSWYQKVKQBFM-YDZHTSKRSA-N -1 0 686.397 6.949 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409190768 1072867088 /nfs/dbraw/zinc/86/70/88/1072867088.db2.gz WBEIOZGFXHNGBS-WSDLNYQXSA-N -1 0 617.913 7.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409190256 1072871351 /nfs/dbraw/zinc/87/13/51/1072871351.db2.gz QSCPSQYNQYNQBT-WSDLNYQXSA-N -1 0 662.364 7.184 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409190240 1072871649 /nfs/dbraw/zinc/87/16/49/1072871649.db2.gz QKTRSCSJIMRKKF-WSDLNYQXSA-N -1 0 617.913 7.075 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409204759 1072902008 /nfs/dbraw/zinc/90/20/08/1072902008.db2.gz JZYSWOXGSCOTAV-YBFXNURJSA-N -1 0 528.055 5.044 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c1 ZINC000409197910 1072932357 /nfs/dbraw/zinc/93/23/57/1072932357.db2.gz RTLUJILPCYCTCZ-VXLYETTFSA-N -1 0 561.797 5.736 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)o1 ZINC000409197789 1072933383 /nfs/dbraw/zinc/93/33/83/1072933383.db2.gz OYPJTYCEQWPEHJ-JMIUGGIZSA-N -1 0 575.824 6.044 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409214353 1072953166 /nfs/dbraw/zinc/95/31/66/1072953166.db2.gz SQRQIYIPMCPXJX-QRVIBDJDSA-N -1 0 503.580 5.084 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409227134 1072971083 /nfs/dbraw/zinc/97/10/83/1072971083.db2.gz PELADLIRFKAKEW-MHWRWJLKSA-N -1 0 521.860 5.358 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000409227233 1072971573 /nfs/dbraw/zinc/97/15/73/1072971573.db2.gz YGTNDLIWYXJSRF-OEAKJJBVSA-N -1 0 578.021 5.130 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409227083 1072971979 /nfs/dbraw/zinc/97/19/79/1072971979.db2.gz XJNLNPYHQJXMHE-VXLYETTFSA-N -1 0 544.778 5.331 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409226908 1072972525 /nfs/dbraw/zinc/97/25/25/1072972525.db2.gz NWKSNQVUHFZAKE-ZMOGYAJESA-N -1 0 632.054 6.496 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409226248 1072974587 /nfs/dbraw/zinc/97/45/87/1072974587.db2.gz QGGODFPSPPESRU-LPYMAVHISA-N -1 0 626.493 6.173 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226043 1072976522 /nfs/dbraw/zinc/97/65/22/1072976522.db2.gz SMADLJNBZZCIPD-VCHYOVAHSA-N -1 0 633.282 5.757 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409225756 1072977798 /nfs/dbraw/zinc/97/77/98/1072977798.db2.gz OONRFEVSYDSTJI-VCHYOVAHSA-N -1 0 623.674 6.093 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409225386 1072978344 /nfs/dbraw/zinc/97/83/44/1072978344.db2.gz PVURJKAUMUMYEP-RGVLZGJSSA-N -1 0 588.831 5.729 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409224401 1072983954 /nfs/dbraw/zinc/98/39/54/1072983954.db2.gz LBUYCYIOMQNPFD-YBFXNURJSA-N -1 0 589.229 5.440 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409223587 1072987874 /nfs/dbraw/zinc/98/78/74/1072987874.db2.gz ITBADZGADMRNNE-OGLMXYFKSA-N -1 0 640.092 6.310 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409223423 1072988848 /nfs/dbraw/zinc/98/88/48/1072988848.db2.gz HPNVJHRLUVGFEV-LPYMAVHISA-N -1 0 642.492 5.873 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409222990 1072990787 /nfs/dbraw/zinc/99/07/87/1072990787.db2.gz FTTUYSIGTRINHA-RQZCQDPDSA-N -1 0 579.223 5.984 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409222479 1072992799 /nfs/dbraw/zinc/99/27/99/1072992799.db2.gz XHIRSBLKGYPJAM-CVKSISIWSA-N -1 0 555.581 6.693 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409222106 1072996137 /nfs/dbraw/zinc/99/61/37/1072996137.db2.gz BDBBSAFXPWRYSP-WOJGMQOQSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409221736 1072997019 /nfs/dbraw/zinc/99/70/19/1072997019.db2.gz AMQOURYYRDYJEZ-XDHOZWIPSA-N -1 0 603.256 5.748 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 ZINC000409221257 1072999656 /nfs/dbraw/zinc/99/96/56/1072999656.db2.gz NONNLMDONOBEEN-UNOMPAQXSA-N -1 0 518.969 6.341 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409220607 1073003917 /nfs/dbraw/zinc/00/39/17/1073003917.db2.gz CASDLPDORMAVIT-NDENLUEZSA-N -1 0 508.336 5.802 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409219703 1073007281 /nfs/dbraw/zinc/00/72/81/1073007281.db2.gz UAJAOTMWKWQCCU-NHDPSOOVSA-N -1 0 509.971 5.121 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219165 1073010202 /nfs/dbraw/zinc/01/02/02/1073010202.db2.gz JWVGTZULQCRHJN-VXLYETTFSA-N -1 0 666.255 5.291 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409218775 1073011321 /nfs/dbraw/zinc/01/13/21/1073011321.db2.gz KOLDHLPHFWKFLJ-CIAFOILYSA-N -1 0 568.413 5.384 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409218708 1073011740 /nfs/dbraw/zinc/01/17/40/1073011740.db2.gz GNOMLRAJHQBIBG-XQNSMLJCSA-N -1 0 578.021 5.211 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409227886 1073029917 /nfs/dbraw/zinc/02/99/17/1073029917.db2.gz SMNYQNZAPRKVJT-XQNSMLJCSA-N -1 0 505.018 5.569 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)c(Br)c1 ZINC000409237214 1073033019 /nfs/dbraw/zinc/03/30/19/1073033019.db2.gz IJPIJLPWFQEVCD-MOSHPQCFSA-N -1 0 509.425 5.972 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409237060 1073033402 /nfs/dbraw/zinc/03/34/02/1073033402.db2.gz VMJXOGVXBBFCHY-STBIYBPSSA-N -1 0 563.698 6.627 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409236722 1073037701 /nfs/dbraw/zinc/03/77/01/1073037701.db2.gz GWKIXZCNZOOSBA-UQQQWYQISA-N -1 0 509.993 6.389 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409235875 1073041459 /nfs/dbraw/zinc/04/14/59/1073041459.db2.gz CYPQIIGEUPALDU-YVLHZVERSA-N -1 0 502.785 6.029 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409235261 1073046079 /nfs/dbraw/zinc/04/60/79/1073046079.db2.gz AWHZNIWKGUHLOQ-UXHLAJHPSA-N -1 0 567.686 6.767 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409233657 1073055339 /nfs/dbraw/zinc/05/53/39/1073055339.db2.gz LRLCYMNIWYMORX-OGLMXYFKSA-N -1 0 614.565 6.884 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[N-]C1=S ZINC000409232331 1073062357 /nfs/dbraw/zinc/06/23/57/1073062357.db2.gz NXHUNLODWRDGMZ-YZSQISJMSA-N -1 0 501.611 5.983 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)c3ccccc32)c1 ZINC000409230959 1073067703 /nfs/dbraw/zinc/06/77/03/1073067703.db2.gz AHXBXYCFBSDZGW-KGENOOAVSA-N -1 0 529.021 5.073 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409230325 1073070100 /nfs/dbraw/zinc/07/01/00/1073070100.db2.gz BZBREVODDFOSAA-WOJGMQOQSA-N -1 0 528.859 5.650 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)[N-]C2=S)cc1Cl ZINC000409247153 1073071655 /nfs/dbraw/zinc/07/16/55/1073071655.db2.gz CDKHHTIPRVLMIT-WOJGMQOQSA-N -1 0 500.805 5.033 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409246554 1073075644 /nfs/dbraw/zinc/07/56/44/1073075644.db2.gz CSPFUWIWEYAYQW-WOJGMQOQSA-N -1 0 548.384 5.707 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409246249 1073077367 /nfs/dbraw/zinc/07/73/67/1073077367.db2.gz GZZSTQYEUFPNQR-OGLMXYFKSA-N -1 0 570.114 6.775 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409246345 1073077689 /nfs/dbraw/zinc/07/76/89/1073077689.db2.gz BIHCEJGWVPCVKK-WPWMEQJKSA-N -1 0 582.707 6.602 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409246194 1073078707 /nfs/dbraw/zinc/07/87/07/1073078707.db2.gz GFYHCDSWUUVNOB-YZSQISJMSA-N -1 0 539.632 5.952 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409245831 1073080446 /nfs/dbraw/zinc/08/04/46/1073080446.db2.gz ZPRFVUXGOAAJHR-PCLIKHOPSA-N -1 0 629.207 7.080 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c1C)CCCC2 ZINC000409245811 1073080615 /nfs/dbraw/zinc/08/06/15/1073080615.db2.gz ZHMMFGZHTCKGFY-RCCKNPSSSA-N -1 0 547.702 5.351 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409245911 1073081394 /nfs/dbraw/zinc/08/13/94/1073081394.db2.gz ATSGGBZJVWUZAM-MFKUBSTISA-N -1 0 524.602 5.553 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2-c2ccccc2)cc1 ZINC000409245458 1073084154 /nfs/dbraw/zinc/08/41/54/1073084154.db2.gz TZHKKNOHMCFALK-SWKFRHMKSA-N -1 0 611.723 7.128 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409244388 1073088890 /nfs/dbraw/zinc/08/88/90/1073088890.db2.gz BVLHNCLRQUBNPH-CPNJWEJPSA-N -1 0 508.441 5.305 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C1=O ZINC000409242734 1073095659 /nfs/dbraw/zinc/09/56/59/1073095659.db2.gz YAHBPIXQUPEYGZ-HFTWOUSFSA-N -1 0 588.063 7.530 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409241568 1073100743 /nfs/dbraw/zinc/10/07/43/1073100743.db2.gz YKDAHHYDVFKMNW-XKZIYDEJSA-N -1 0 534.410 5.423 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[N-]C1=S ZINC000409237644 1073125474 /nfs/dbraw/zinc/12/54/74/1073125474.db2.gz KLIOILXHLNUJTB-CIAFOILYSA-N -1 0 520.441 6.136 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409237501 1073126493 /nfs/dbraw/zinc/12/64/93/1073126493.db2.gz UVYFXBODOJQLJR-GZTJUZNOSA-N -1 0 524.998 6.403 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409251005 1073132245 /nfs/dbraw/zinc/13/22/45/1073132245.db2.gz SMNDPTVGAGUHAU-DEDYPNTBSA-N -1 0 516.966 5.083 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409250992 1073132283 /nfs/dbraw/zinc/13/22/83/1073132283.db2.gz NPPJEVUBFSCUJF-YBFXNURJSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000409250770 1073132866 /nfs/dbraw/zinc/13/28/66/1073132866.db2.gz MTSYRUDLBCPZME-UCQKPKSFSA-N -1 0 576.447 5.367 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409250498 1073134880 /nfs/dbraw/zinc/13/48/80/1073134880.db2.gz MOBLSNTUZTXHFY-JMIUGGIZSA-N -1 0 602.858 6.038 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000409250425 1073135915 /nfs/dbraw/zinc/13/59/15/1073135915.db2.gz LNBBXKHMFRAVQL-UNOMPAQXSA-N -1 0 613.262 5.204 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000409250449 1073136419 /nfs/dbraw/zinc/13/64/19/1073136419.db2.gz LYJVEUWTHAKNNX-XDHOZWIPSA-N -1 0 628.863 5.194 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409250030 1073137588 /nfs/dbraw/zinc/13/75/88/1073137588.db2.gz VUZSOYMARLVOFF-VTNSRFBWSA-N -1 0 577.794 7.517 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000409249008 1073144255 /nfs/dbraw/zinc/14/42/55/1073144255.db2.gz RWQBMWQEPMTMPE-SNCSUOKWSA-N -1 0 639.777 7.943 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409249136 1073145246 /nfs/dbraw/zinc/14/52/46/1073145246.db2.gz IOWIJKWGUGASEA-XDHOZWIPSA-N -1 0 584.412 5.085 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000409247436 1073154173 /nfs/dbraw/zinc/15/41/73/1073154173.db2.gz CGDBJZCPAQPVHF-OYKKKHCWSA-N -1 0 531.996 5.258 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409247508 1073154594 /nfs/dbraw/zinc/15/45/94/1073154594.db2.gz CREVAKIQKYWLIG-OVCLIPMQSA-N -1 0 523.836 5.040 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000409247385 1073155336 /nfs/dbraw/zinc/15/53/36/1073155336.db2.gz BWQZLZANIJPTEM-OEAKJJBVSA-N -1 0 670.944 6.282 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1 ZINC000409256684 1073155778 /nfs/dbraw/zinc/15/57/78/1073155778.db2.gz NDBVPHSQGCWNDQ-RGVLZGJSSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000409256700 1073156148 /nfs/dbraw/zinc/15/61/48/1073156148.db2.gz OWRDDGDGGSEWDZ-OEAKJJBVSA-N -1 0 578.021 5.130 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409257302 1073157787 /nfs/dbraw/zinc/15/77/87/1073157787.db2.gz RZOJTQOCUQMISD-NHDPSOOVSA-N -1 0 659.864 5.254 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409257152 1073158567 /nfs/dbraw/zinc/15/85/67/1073158567.db2.gz RCXKYONLPXBDNU-NDENLUEZSA-N -1 0 661.905 5.192 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)c1C ZINC000409256957 1073159006 /nfs/dbraw/zinc/15/90/06/1073159006.db2.gz QTSONJMYAZNBDO-VXLYETTFSA-N -1 0 556.377 5.433 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409256306 1073160981 /nfs/dbraw/zinc/16/09/81/1073160981.db2.gz NLZYSXIGCLECND-NHDPSOOVSA-N -1 0 626.449 5.171 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409255958 1073164914 /nfs/dbraw/zinc/16/49/14/1073164914.db2.gz MSMDFTBKKFDNBO-UFWORHAWSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c(C)c1 ZINC000409255782 1073165427 /nfs/dbraw/zinc/16/54/27/1073165427.db2.gz IVGMWAHOWWZHKI-OCKHKDLRSA-N -1 0 672.286 5.421 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409255524 1073167712 /nfs/dbraw/zinc/16/77/12/1073167712.db2.gz LQWKTVSYAKMXEG-UFFVCSGVSA-N -1 0 673.891 5.562 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409255542 1073167726 /nfs/dbraw/zinc/16/77/26/1073167726.db2.gz LWZGDBQTFNJOMY-NDENLUEZSA-N -1 0 582.440 5.693 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1 ZINC000409254648 1073171754 /nfs/dbraw/zinc/17/17/54/1073171754.db2.gz DZLNBLMCPSEGJR-JAIQZWGSSA-N -1 0 685.325 5.299 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254512 1073173554 /nfs/dbraw/zinc/17/35/54/1073173554.db2.gz XNLVXNGELKHFDX-OCKHKDLRSA-N -1 0 588.831 5.648 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409253918 1073178118 /nfs/dbraw/zinc/17/81/18/1073178118.db2.gz HCBJDGZIBOIEQR-WSDLNYQXSA-N -1 0 718.342 5.753 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409253574 1073179601 /nfs/dbraw/zinc/17/96/01/1073179601.db2.gz XBJPFKGMWJQBJP-RGVLZGJSSA-N -1 0 631.252 5.343 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409253360 1073182558 /nfs/dbraw/zinc/18/25/58/1073182558.db2.gz FRSJXBQVNAELRI-ODLFYWEKSA-N -1 0 626.891 5.720 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409252956 1073183438 /nfs/dbraw/zinc/18/34/38/1073183438.db2.gz YHKUCVJDGCJDIY-YDZHTSKRSA-N -1 0 511.569 6.068 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409252666 1073185247 /nfs/dbraw/zinc/18/52/47/1073185247.db2.gz DECWNZHDFFCWOQ-MYYYXRDXSA-N -1 0 630.484 6.565 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1 ZINC000409252046 1073190432 /nfs/dbraw/zinc/19/04/32/1073190432.db2.gz BJWWWTGLZQCXLE-CIAFOILYSA-N -1 0 671.342 5.911 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409251833 1073191041 /nfs/dbraw/zinc/19/10/41/1073191041.db2.gz BWOCVGLEKXDDLT-IMRQLAEWSA-N -1 0 596.039 5.911 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000409262502 1073193426 /nfs/dbraw/zinc/19/34/26/1073193426.db2.gz FLCVLFMXVVEZBY-UUYOSTAYSA-N -1 0 552.414 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1OCC ZINC000409262991 1073195794 /nfs/dbraw/zinc/19/57/94/1073195794.db2.gz GNOHSAPPRLRECB-YZSQISJMSA-N -1 0 571.630 5.175 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409267160 1073196635 /nfs/dbraw/zinc/19/66/35/1073196635.db2.gz MCROGHQMVKUKRS-VCHYOVAHSA-N -1 0 647.309 6.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409266992 1073197563 /nfs/dbraw/zinc/19/75/63/1073197563.db2.gz ZRTCLSYNKFQDIO-CIAFOILYSA-N -1 0 718.342 5.753 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000409266670 1073199346 /nfs/dbraw/zinc/19/93/46/1073199346.db2.gz KUSMRHUCKZPWQP-SRZZPIQSSA-N -1 0 749.840 7.045 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002263872 1073199640 /nfs/dbraw/zinc/19/96/40/1073199640.db2.gz SCPDFGVJSLRVSR-BKUYFWCQSA-N -1 0 525.914 5.588 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002337071 1073200007 /nfs/dbraw/zinc/20/00/07/1073200007.db2.gz SSKOUAXKAQJMBG-BKUYFWCQSA-N -1 0 508.430 5.387 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000002409398 1073200091 /nfs/dbraw/zinc/20/00/91/1073200091.db2.gz MFRBJAZNIFZNGY-HAHDFKILSA-N -1 0 505.496 5.325 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000409266365 1073203193 /nfs/dbraw/zinc/20/31/93/1073203193.db2.gz WEVJQDLOTWMOTI-SRZZPIQSSA-N -1 0 598.439 5.393 40 10 KKCBRM COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1 ZINC000026779624 1073204070 /nfs/dbraw/zinc/20/40/70/1073204070.db2.gz OVPPZKJZGVTFNQ-CJLVFECKSA-N -1 0 507.637 5.394 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409266067 1073204876 /nfs/dbraw/zinc/20/48/76/1073204876.db2.gz OIBQATGSQACULU-LFVJCYFKSA-N -1 0 636.499 5.629 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409265612 1073206828 /nfs/dbraw/zinc/20/68/28/1073206828.db2.gz UDNZVQVKJSQISJ-CIAFOILYSA-N -1 0 626.891 5.802 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409265193 1073208806 /nfs/dbraw/zinc/20/88/06/1073208806.db2.gz RHASFCJVZRWVPP-CIAFOILYSA-N -1 0 657.315 5.521 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1OC ZINC000409265046 1073209636 /nfs/dbraw/zinc/20/96/36/1073209636.db2.gz NMBLCHMHCAPZCW-HMAPJEAMSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c(C)c1 ZINC000409264577 1073211978 /nfs/dbraw/zinc/21/19/78/1073211978.db2.gz MIWJTPBQAGTFAH-ZDLGFXPLSA-N -1 0 586.859 6.256 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409264331 1073212415 /nfs/dbraw/zinc/21/24/15/1073212415.db2.gz OWCBVSQWPXXTFM-QRVIBDJDSA-N -1 0 620.500 5.765 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409264119 1073214419 /nfs/dbraw/zinc/21/44/19/1073214419.db2.gz JZVLJUKRLIBQMD-RGVLZGJSSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c(C)c1 ZINC000409263950 1073215051 /nfs/dbraw/zinc/21/50/51/1073215051.db2.gz DCCYAIAULPORIT-RGVLZGJSSA-N -1 0 596.865 5.712 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409263983 1073215094 /nfs/dbraw/zinc/21/50/94/1073215094.db2.gz JUHDZMYRXNMNTQ-JAIQZWGSSA-N -1 0 659.864 5.254 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409263753 1073215502 /nfs/dbraw/zinc/21/55/02/1073215502.db2.gz BWXHAMMPIGDIAB-GRSHGNNSSA-N -1 0 616.885 6.346 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409263851 1073216265 /nfs/dbraw/zinc/21/62/65/1073216265.db2.gz MXOLJEJMAHIGBV-CIAFOILYSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000409263831 1073216298 /nfs/dbraw/zinc/21/62/98/1073216298.db2.gz MUPGZSDJEVOODI-NDENLUEZSA-N -1 0 582.838 5.403 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409263415 1073218583 /nfs/dbraw/zinc/21/85/83/1073218583.db2.gz JCMQMHRBEXIFQK-UUYOSTAYSA-N -1 0 656.519 6.182 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1Cl ZINC000409263256 1073219273 /nfs/dbraw/zinc/21/92/73/1073219273.db2.gz LXOYIFZFEHEREM-CNHKJKLMSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(C)c1 ZINC000409263141 1073220069 /nfs/dbraw/zinc/22/00/69/1073220069.db2.gz ALBBQSASIBFRQA-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409262585 1073220683 /nfs/dbraw/zinc/22/06/83/1073220683.db2.gz IBDRLWVWSXQBAY-GRSHGNNSSA-N -1 0 570.454 5.159 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1OC ZINC000409262678 1073221519 /nfs/dbraw/zinc/22/15/19/1073221519.db2.gz IODYFVIUIAXZDZ-XKZIYDEJSA-N -1 0 652.498 5.247 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409262292 1073221804 /nfs/dbraw/zinc/22/18/04/1073221804.db2.gz HKNKFXIGFAPZJW-NVMNQCDNSA-N -1 0 694.309 5.907 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261884 1073224545 /nfs/dbraw/zinc/22/45/45/1073224545.db2.gz FADYWCXTDQKMKB-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409261984 1073225411 /nfs/dbraw/zinc/22/54/11/1073225411.db2.gz GNMXXDIDUFBUBB-NVMNQCDNSA-N -1 0 694.309 5.907 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409261624 1073226086 /nfs/dbraw/zinc/22/60/86/1073226086.db2.gz CCBWAZSQMATHLE-WSDLNYQXSA-N -1 0 656.519 6.182 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2=O)cc1OCC ZINC000409261469 1073227217 /nfs/dbraw/zinc/22/72/17/1073227217.db2.gz DCTZRONXPGCYMZ-KOEQRZSOSA-N -1 0 571.630 5.175 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c1 ZINC000409261539 1073227603 /nfs/dbraw/zinc/22/76/03/1073227603.db2.gz DNLRAMZCQSSDNN-XKZIYDEJSA-N -1 0 576.447 5.367 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409261175 1073228748 /nfs/dbraw/zinc/22/87/48/1073228748.db2.gz BNKHOQVPZBECTJ-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1Cl ZINC000409261211 1073229203 /nfs/dbraw/zinc/22/92/03/1073229203.db2.gz AWLMUVBFLDCTJX-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409261240 1073229212 /nfs/dbraw/zinc/22/92/12/1073229212.db2.gz BGPJHIDXJJVIQH-NHDPSOOVSA-N -1 0 637.443 5.057 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409261030 1073229985 /nfs/dbraw/zinc/22/99/85/1073229985.db2.gz AFROJZSMRKESHD-MOSHPQCFSA-N -1 0 686.943 5.983 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccccc1Cl ZINC000409260707 1073231583 /nfs/dbraw/zinc/23/15/83/1073231583.db2.gz VAFZEVIGDMOGSC-BOPFTXTBSA-N -1 0 544.778 5.331 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409259828 1073236988 /nfs/dbraw/zinc/23/69/88/1073236988.db2.gz GDDWGXFTJTUSOF-DJKKODMXSA-N -1 0 724.733 5.708 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1Cl ZINC000409259847 1073237063 /nfs/dbraw/zinc/23/70/63/1073237063.db2.gz GNDSVTGSMYGBPD-DJKKODMXSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409259510 1073238699 /nfs/dbraw/zinc/23/86/99/1073238699.db2.gz ZYFCCVVSUXHZNH-JAIQZWGSSA-N -1 0 613.808 5.003 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409259598 1073239039 /nfs/dbraw/zinc/23/90/39/1073239039.db2.gz BGKQVLWGYCFMOC-BUVRLJJBSA-N -1 0 727.552 5.870 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1C ZINC000409259601 1073239103 /nfs/dbraw/zinc/23/91/03/1073239103.db2.gz BGTPSDHXJZVITO-CIAFOILYSA-N -1 0 627.289 5.512 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409259456 1073239716 /nfs/dbraw/zinc/23/97/16/1073239716.db2.gz ZJKIXYPUUBZEHQ-DICXZTSXSA-N -1 0 674.537 6.963 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409259316 1073241059 /nfs/dbraw/zinc/24/10/59/1073241059.db2.gz YHRFSVXYDIOZJP-PDGQHHTCSA-N -1 0 598.837 5.185 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409258995 1073242783 /nfs/dbraw/zinc/24/27/83/1073242783.db2.gz WVYAOJWBGBLBOK-YUMHPJSZSA-N -1 0 630.484 6.565 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000409259053 1073242806 /nfs/dbraw/zinc/24/28/06/1073242806.db2.gz ZDORNMQCGZRGLA-MTJSOVHGSA-N -1 0 685.325 5.299 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1C ZINC000409258687 1073243778 /nfs/dbraw/zinc/24/37/78/1073243778.db2.gz YXPNOGJRCZPLMH-RGVLZGJSSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409258411 1073245914 /nfs/dbraw/zinc/24/59/14/1073245914.db2.gz WYXZBCRLDIXUBO-UUYOSTAYSA-N -1 0 653.473 5.217 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409258034 1073249162 /nfs/dbraw/zinc/24/91/62/1073249162.db2.gz SVBMIBGELLQOAK-NVMNQCDNSA-N -1 0 647.309 6.065 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409257629 1073250026 /nfs/dbraw/zinc/25/00/26/1073250026.db2.gz RJQDGBNRVHZMBS-ODLFYWEKSA-N -1 0 626.891 5.720 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409272681 1073253037 /nfs/dbraw/zinc/25/30/37/1073253037.db2.gz RMWLVOLFHWGAST-BOPFTXTBSA-N -1 0 647.309 6.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409272532 1073254152 /nfs/dbraw/zinc/25/41/52/1073254152.db2.gz ZOJAZPJISLHSRH-RGVLZGJSSA-N -1 0 612.864 5.412 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409271754 1073262341 /nfs/dbraw/zinc/26/23/41/1073262341.db2.gz MRNHHZNKKXNSSZ-PXLXIMEGSA-N -1 0 622.472 5.321 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OCC ZINC000409271264 1073264775 /nfs/dbraw/zinc/26/47/75/1073264775.db2.gz TWWSFRYZVDEDEX-ZVHZXABRSA-N -1 0 636.101 5.837 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1 ZINC000409270731 1073269253 /nfs/dbraw/zinc/26/92/53/1073269253.db2.gz HSAYAXPPLCZBMR-LPYMAVHISA-N -1 0 578.021 5.048 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409270483 1073270054 /nfs/dbraw/zinc/27/00/54/1073270054.db2.gz QBZWWAMXMSEUSE-UFWORHAWSA-N -1 0 602.858 5.956 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1C ZINC000409270087 1073272161 /nfs/dbraw/zinc/27/21/61/1073272161.db2.gz BZWQAUOUIVQOFP-HMAPJEAMSA-N -1 0 562.420 5.058 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409269901 1073273292 /nfs/dbraw/zinc/27/32/92/1073273292.db2.gz AUWWKBZAQXUCOC-MTJSOVHGSA-N -1 0 626.891 5.802 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409269182 1073279000 /nfs/dbraw/zinc/27/90/00/1073279000.db2.gz GRBKOSOUAWLYBW-BKUYFWCQSA-N -1 0 655.514 5.156 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 ZINC000409269231 1073279306 /nfs/dbraw/zinc/27/93/06/1073279306.db2.gz HKKNPIWMKURPNN-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409268901 1073281376 /nfs/dbraw/zinc/28/13/76/1073281376.db2.gz ZHCWNILCKAUNKX-YUMHPJSZSA-N -1 0 733.413 7.091 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409268977 1073281655 /nfs/dbraw/zinc/28/16/55/1073281655.db2.gz CGQXDARNCFSLTD-GRSHGNNSSA-N -1 0 647.707 5.857 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c(C)c1 ZINC000409268736 1073281748 /nfs/dbraw/zinc/28/17/48/1073281748.db2.gz YJAIELJHUAYLGO-RGVLZGJSSA-N -1 0 582.838 5.403 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409268813 1073282536 /nfs/dbraw/zinc/28/25/36/1073282536.db2.gz AVYYDHRRQNJCKH-YBEGLDIGSA-N -1 0 633.680 5.549 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409268243 1073285927 /nfs/dbraw/zinc/28/59/27/1073285927.db2.gz YGIJWARSXOOELR-FSGOGVSDSA-N -1 0 619.674 5.965 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000409268211 1073285952 /nfs/dbraw/zinc/28/59/52/1073285952.db2.gz ROLFGWGEQIQGLY-BKUYFWCQSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1 ZINC000409267976 1073286367 /nfs/dbraw/zinc/28/63/67/1073286367.db2.gz YKRGEXLQVWDAME-CIAFOILYSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409267821 1073288288 /nfs/dbraw/zinc/28/82/88/1073288288.db2.gz WLGMSCDLWOTOHJ-USHMODERSA-N -1 0 605.647 5.657 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409267357 1073290711 /nfs/dbraw/zinc/29/07/11/1073290711.db2.gz VCCGDBVRPABDOM-ODLFYWEKSA-N -1 0 568.413 5.303 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634258 195479847 /nfs/dbraw/zinc/47/98/47/195479847.db2.gz SVHXTBCUCPHGAB-QRVIBDJDSA-N -1 0 618.928 7.157 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408850490 195488326 /nfs/dbraw/zinc/48/83/26/195488326.db2.gz OCAZMIKDHNVTQZ-GZTJUZNOSA-N -1 0 607.269 6.074 40 10 KKCBRM O=C1C(=Cc2cc(Br)cc(Br)c2[O-])C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000002029920 551736801 /nfs/dbraw/zinc/73/68/01/551736801.db2.gz HPEZEPDGBZRJHF-UHFFFAOYSA-N -1 0 558.251 5.666 40 10 KKCBRM O=C(Nc1cccc2ccc(O)c(NN=C3C=C([N+](=O)[O-])C=C(S(=O)(=O)[O-])C3=O)c21)c1ccccc1 ZINC000004280970 552455920 /nfs/dbraw/zinc/45/59/20/552455920.db2.gz SAFGZFGIJYCTQK-OCEACIFDSA-N -1 0 508.468 5.074 40 10 KKCBRM O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000008820154 553155092 /nfs/dbraw/zinc/15/50/92/553155092.db2.gz DNSSGTYSHMXTMU-UNOMPAQXSA-N -1 0 506.005 5.354 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000008821472 553155889 /nfs/dbraw/zinc/15/58/89/553155889.db2.gz DOIMNUPCBWCBBR-YBFXNURJSA-N -1 0 500.395 6.122 40 10 KKCBRM O=C(Nc1ccccc1/N=N/c1ccc(S(=O)(=O)[O-])cc1NC(=O)c1ccccc1)c1ccccc1 ZINC000013403767 553459125 /nfs/dbraw/zinc/45/91/25/553459125.db2.gz JHFFAPSGEOEEOD-QVIHXGFCSA-N -1 0 500.536 5.853 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000014132848 553501641 /nfs/dbraw/zinc/50/16/41/553501641.db2.gz VJYNSSSNUNBKHE-YBFXNURJSA-N -1 0 511.361 5.556 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000014133039 553501685 /nfs/dbraw/zinc/50/16/85/553501685.db2.gz DURGMIHFXOCFCK-FYJGNVAPSA-N -1 0 504.970 5.601 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000028048155 553837492 /nfs/dbraw/zinc/83/74/92/553837492.db2.gz GNEQBDPJGSKODB-HDMRQQGGSA-N -1 0 505.617 5.691 40 10 KKCBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000028206698 553838230 /nfs/dbraw/zinc/83/82/30/553838230.db2.gz KYPJULQYCDOPBP-UHFFFAOYSA-N -1 0 517.006 5.575 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000097958952 553859064 /nfs/dbraw/zinc/85/90/64/553859064.db2.gz MOWCESNQGBHNFR-LGUFXXKBSA-N -1 0 560.603 5.383 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 ZINC000097965019 553902495 /nfs/dbraw/zinc/90/24/95/553902495.db2.gz VYWSXSKTDBWICI-BRPDVVIDSA-N -1 0 568.073 7.928 40 10 KKCBRM Cc1ccc(Sc2oc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000097972265 553966435 /nfs/dbraw/zinc/96/64/35/553966435.db2.gz XCQKCWXOLMOUSG-YVLHZVERSA-N -1 0 517.788 6.662 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000035131866 554035340 /nfs/dbraw/zinc/03/53/40/554035340.db2.gz RBKPECPAEYNOOZ-DEDYPNTBSA-N -1 0 511.361 6.478 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000100230178 554255811 /nfs/dbraw/zinc/25/58/11/554255811.db2.gz GODTZNDEQNDYPB-IWIPYMOSSA-N -1 0 593.474 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100230308 554256121 /nfs/dbraw/zinc/25/61/21/554256121.db2.gz CAPRZNIILZFMQD-CIAFOILYSA-N -1 0 569.383 5.241 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000100241218 554260213 /nfs/dbraw/zinc/26/02/13/554260213.db2.gz MSYXTHPNTPWYEO-JMIUGGIZSA-N -1 0 620.283 6.409 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000100241340 554260570 /nfs/dbraw/zinc/26/05/70/554260570.db2.gz FBJZLSAXCSDOOM-UCQKPKSFSA-N -1 0 626.447 5.642 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000100270805 554269732 /nfs/dbraw/zinc/26/97/32/554269732.db2.gz CSADUSBGTNZPKY-XHPQRKPJSA-N -1 0 568.651 6.085 40 10 KKCBRM CC[C@H](C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000041108872 554295465 /nfs/dbraw/zinc/29/54/65/554295465.db2.gz PONOWPFTXVZZAE-WSLHGYQHSA-N -1 0 506.002 6.549 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100320799 554305257 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Cn1c(=O)c(C(=O)C[C@H](Nc2cc(Cl)ccc2Cl)c2c(O)ccc3ccccc32)c([O-])c2ccccc21 ZINC000104827715 571386810 /nfs/dbraw/zinc/38/68/10/571386810.db2.gz IHAITQKDZDOHKD-QFIPXVFZSA-N -1 0 533.411 6.836 40 10 KKCBRM Cc1ccc(OCCn2cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3cc(Br)ccc32)cc1C ZINC000104881970 571387049 /nfs/dbraw/zinc/38/70/49/571387049.db2.gz JRJLPELVSIOFKI-ZMOGYAJESA-N -1 0 562.420 5.355 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000105381619 571404504 /nfs/dbraw/zinc/40/45/04/571404504.db2.gz INSMPLWGZSWHHP-OZMIJRPQSA-N -1 0 612.145 7.281 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br ZINC000105571389 571407690 /nfs/dbraw/zinc/40/76/90/571407690.db2.gz IQRBEIZOTQUJHM-DUPNKOKHSA-N -1 0 530.320 5.264 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)o2)c1 ZINC000106732383 571416679 /nfs/dbraw/zinc/41/66/79/571416679.db2.gz FADVHAIHDOYSPI-GRSHGNNSSA-N -1 0 518.772 6.297 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000112246118 571435854 /nfs/dbraw/zinc/43/58/54/571435854.db2.gz TZUJVFNYYVMWSH-FYJGNVAPSA-N -1 0 596.421 5.552 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000112245998 571435869 /nfs/dbraw/zinc/43/58/69/571435869.db2.gz NGPYEPDSMVCWCA-GIJQJNRQSA-N -1 0 545.806 6.209 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C1=O ZINC000112245679 571435884 /nfs/dbraw/zinc/43/58/84/571435884.db2.gz DJFMXHQHYHHBAC-LFVJCYFKSA-N -1 0 541.401 6.156 40 10 KKCBRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccc(Cl)cc1 ZINC000113516470 571439781 /nfs/dbraw/zinc/43/97/81/571439781.db2.gz IPZROEBLHNVAIS-UHFFFAOYSA-N -1 0 543.403 6.417 40 10 KKCBRM O=S(=O)([N-]c1cc(Cl)c(NS(=O)(=O)c2cc(Br)ccc2Br)c(Cl)c1)c1cc(Br)ccc1Br ZINC000150343319 571458903 /nfs/dbraw/zinc/45/89/03/571458903.db2.gz AYYSJJRKHMIUFH-UHFFFAOYSA-N -1 0 772.944 7.645 40 10 KKCBRM CCn1c2cc(Cl)c(Cl)cc2[n+](CCCCS(=O)(=O)[O-])c1/C=C/C=C1/N(CC)c2cc(Cl)c(Cl)cc2N1CCCCS(=O)(=O)[O-] ZINC000150349203 571461425 /nfs/dbraw/zinc/46/14/25/571461425.db2.gz CXMTVYYZZGALHX-UHFFFAOYSA-O -1 0 741.567 7.099 40 10 KKCBRM Nc1ccc2c(c1N=Nc1ccc([N+](=O)[O-])cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C2=O ZINC000150366592 571464755 /nfs/dbraw/zinc/46/47/55/571464755.db2.gz SYLHBLRMFZCHJR-FYNRZTEESA-N -1 0 688.682 9.901 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223423523 571474415 /nfs/dbraw/zinc/47/44/15/571474415.db2.gz DJRUUKGOCSNVLL-SXOMAYOGSA-N -1 0 512.635 5.369 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150403731 571478911 /nfs/dbraw/zinc/47/89/11/571478911.db2.gz BQFAGBDQUYYQAI-UDWIEESQSA-N -1 0 627.391 5.152 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224132084 571482859 /nfs/dbraw/zinc/48/28/59/571482859.db2.gz AKMMRKZJAKIHJN-CKUCSLQLSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224132267 571482971 /nfs/dbraw/zinc/48/29/71/571482971.db2.gz FZSNRJPTUXVOEH-CKUCSLQLSA-N -1 0 614.215 7.500 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000150424471 571489136 /nfs/dbraw/zinc/48/91/36/571489136.db2.gz NMOZDKAAEHVTJD-TURZUDJPSA-N -1 0 667.357 8.003 40 10 KKCBRM O=C(C=Cc1ccccc1)N(C(=O)CC(=O)n1[n-]c(-c2ccccc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1=O)c1ccc(Cl)cc1 ZINC000150444157 571499521 /nfs/dbraw/zinc/49/95/21/571499521.db2.gz IBFXPWCSHKJVQR-GPGWZMAASA-N -1 0 635.036 6.137 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223582471 571507290 /nfs/dbraw/zinc/50/72/90/571507290.db2.gz JOAAQXBZKPOQRG-BRFSQIRFSA-N -1 0 500.426 6.080 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000150481338 571512596 /nfs/dbraw/zinc/51/25/96/571512596.db2.gz SOYILJZBDYDMTR-QGMBQPNBSA-N -1 0 655.126 6.772 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481428 571512628 /nfs/dbraw/zinc/51/26/28/571512628.db2.gz QWIGBPUAAUGQHK-QGMBQPNBSA-N -1 0 657.675 6.505 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223607761 571512730 /nfs/dbraw/zinc/51/27/30/571512730.db2.gz LPNWTBDOXMBKSO-ZFJBLLOBSA-N -1 0 538.486 6.233 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223608433 571512830 /nfs/dbraw/zinc/51/28/30/571512830.db2.gz HWXZDAHLPALHON-QUYZQLMHSA-N -1 0 514.453 6.469 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223608297 571512878 /nfs/dbraw/zinc/51/28/78/571512878.db2.gz VOGVITZXZKWBLF-YODDIOPGSA-N -1 0 514.453 6.469 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223608627 571512939 /nfs/dbraw/zinc/51/29/39/571512939.db2.gz HMLIQMPPLLSGQJ-MBTVCVBTSA-N -1 0 514.453 6.469 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224307263 571518681 /nfs/dbraw/zinc/51/86/81/571518681.db2.gz TWJFXZRRTJZNIK-NSOVKSMOSA-N -1 0 510.663 6.290 40 10 KKCBRM CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000224340872 571526026 /nfs/dbraw/zinc/52/60/26/571526026.db2.gz OGVCTDWZBFCJLW-WUFINQPMSA-N -1 0 510.663 6.235 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224369753 571531597 /nfs/dbraw/zinc/53/15/97/571531597.db2.gz AYKKMAOYMDGSII-VSGBNLITSA-N -1 0 510.663 6.488 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224369900 571531649 /nfs/dbraw/zinc/53/16/49/571531649.db2.gz AYKKMAOYMDGSII-NSOVKSMOSA-N -1 0 510.663 6.488 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224372860 571532444 /nfs/dbraw/zinc/53/24/44/571532444.db2.gz XGWGGUYFQYMEAK-URLMMPGGSA-N -1 0 524.690 6.796 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000164073018 571544143 /nfs/dbraw/zinc/54/41/43/571544143.db2.gz SDRXNTSVOMPMMT-WKULSOCRSA-N -1 0 655.589 7.561 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C2=O)c1 ZINC000164308834 571545342 /nfs/dbraw/zinc/54/53/42/571545342.db2.gz KPHYUOGJGNPVMT-LPYMAVHISA-N -1 0 656.473 5.651 40 10 KKCBRM CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000164321193 571545549 /nfs/dbraw/zinc/54/55/49/571545549.db2.gz VIFZJVMUBNKNFO-YCHGMGKZSA-N -1 0 654.545 6.611 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000164324552 571545848 /nfs/dbraw/zinc/54/58/48/571545848.db2.gz OPAOHVAXUYQWAZ-KKMKTNMSSA-N -1 0 702.545 6.733 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)c1 ZINC000164339694 571546089 /nfs/dbraw/zinc/54/60/89/571546089.db2.gz RMMZPDAYFWGGET-SRZZPIQSSA-N -1 0 678.363 7.197 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164346495 571546333 /nfs/dbraw/zinc/54/63/33/571546333.db2.gz AINXEGDAHNPNBW-LUOAPIJWSA-N -1 0 710.452 8.478 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164373117 571546443 /nfs/dbraw/zinc/54/64/43/571546443.db2.gz HXWZQSBFWCVJKL-REZTVBANSA-N -1 0 690.090 6.745 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223800627 571546484 /nfs/dbraw/zinc/54/64/84/571546484.db2.gz BSNIMDYQWXFUPY-RRPNLBNLSA-N -1 0 512.635 5.763 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 ZINC000164374050 571546514 /nfs/dbraw/zinc/54/65/14/571546514.db2.gz GIPVKQJVOVRGAB-VXLYETTFSA-N -1 0 635.227 5.747 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000164394094 571547055 /nfs/dbraw/zinc/54/70/55/571547055.db2.gz IUVCNWDXMWOMTB-CXUHLZMHSA-N -1 0 716.164 6.366 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000164404285 571547149 /nfs/dbraw/zinc/54/71/49/571547149.db2.gz YNNZGJXGQOJHNT-WOJGMQOQSA-N -1 0 636.870 5.893 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164399558 571547245 /nfs/dbraw/zinc/54/72/45/571547245.db2.gz QWLVNZSIPNMZEI-UDWIEESQSA-N -1 0 734.328 6.598 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164405749 571547263 /nfs/dbraw/zinc/54/72/63/571547263.db2.gz DPVQPROPNROQGW-WOJGMQOQSA-N -1 0 681.321 6.002 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164405489 571547287 /nfs/dbraw/zinc/54/72/87/571547287.db2.gz FWMDYXHVROEJDG-RQZCQDPDSA-N -1 0 671.315 6.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000164407304 571547421 /nfs/dbraw/zinc/54/74/21/571547421.db2.gz GDXCPPGJMIYBIY-HYARGMPZSA-N -1 0 652.485 6.393 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000164453815 571548007 /nfs/dbraw/zinc/54/80/07/571548007.db2.gz QOBJKXLNXCSCMF-WOJGMQOQSA-N -1 0 621.200 5.438 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164456962 571548235 /nfs/dbraw/zinc/54/82/35/571548235.db2.gz RWBRNKIIOJLLKM-GIJQJNRQSA-N -1 0 774.103 5.812 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000164463915 571548347 /nfs/dbraw/zinc/54/83/47/571548347.db2.gz WZKAHMKYMHFNOB-VULFUBBASA-N -1 0 639.333 7.409 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164465294 571548381 /nfs/dbraw/zinc/54/83/81/571548381.db2.gz VGHFRPYAWXKPLK-YBFXNURJSA-N -1 0 634.708 6.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000164470437 571548616 /nfs/dbraw/zinc/54/86/16/571548616.db2.gz KAHFCBXMZXTWHN-RGVLZGJSSA-N -1 0 679.159 6.618 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164478910 571548813 /nfs/dbraw/zinc/54/88/13/571548813.db2.gz SHWLMNRKEZRNIZ-LZYBPNLTSA-N -1 0 678.271 5.660 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000164481163 571548908 /nfs/dbraw/zinc/54/89/08/571548908.db2.gz VZLSGLJGWGLHKN-JVWAILMASA-N -1 0 665.407 7.029 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000164473104 571548922 /nfs/dbraw/zinc/54/89/22/571548922.db2.gz ZQKUYRIKXGABJS-UDWIEESQSA-N -1 0 682.106 6.062 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164590052 571550112 /nfs/dbraw/zinc/55/01/12/571550112.db2.gz YWMKJOFUCZLQGC-YZSQISJMSA-N -1 0 657.590 7.024 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224497670 571560527 /nfs/dbraw/zinc/56/05/27/571560527.db2.gz XQEOULJASHKBTL-JWQCQUIFSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223898448 571570615 /nfs/dbraw/zinc/57/06/15/571570615.db2.gz XAEWSNRWJPBEFN-KAYWLYCHSA-N -1 0 511.651 5.430 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000205774418 571571047 /nfs/dbraw/zinc/57/10/47/571571047.db2.gz XSZILEHLVKTUNO-CIAFOILYSA-N -1 0 558.397 5.633 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000206827631 571572899 /nfs/dbraw/zinc/57/28/99/571572899.db2.gz HDPBMYFYGLEJDC-XDHOZWIPSA-N -1 0 536.469 5.411 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000208307112 571573845 /nfs/dbraw/zinc/57/38/45/571573845.db2.gz FIKQDEHKFOWHMU-RFRKOGIWSA-N -1 0 502.467 5.937 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208306763 571573869 /nfs/dbraw/zinc/57/38/69/571573869.db2.gz UXTPVWHRYMOYKG-RVZJCZPVSA-N -1 0 512.473 5.393 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C1=O)C(C)=CC(C)(C)N2C ZINC000208450597 571574473 /nfs/dbraw/zinc/57/44/73/571574473.db2.gz OBUJDEVNGABGNP-RGVLZGJSSA-N -1 0 510.457 5.221 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208468732 571574506 /nfs/dbraw/zinc/57/45/06/571574506.db2.gz ZPQQRPJGDXJSPD-GIJQJNRQSA-N -1 0 530.875 5.566 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C1=O)C(C)=CC(C)(C)N2C ZINC000208453281 571574527 /nfs/dbraw/zinc/57/45/27/571574527.db2.gz LOYHXAVBIIBDOH-UDWIEESQSA-N -1 0 508.416 5.364 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208523419 571574624 /nfs/dbraw/zinc/57/46/24/571574624.db2.gz DGTYUJLBSHLTDB-FYJGNVAPSA-N -1 0 524.484 5.611 40 10 KKCBRM CCOc1cc(C=C2SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000208521536 571574633 /nfs/dbraw/zinc/57/46/33/571574633.db2.gz AUEJROPRUMNQSX-XYGWBWBKSA-N -1 0 502.592 6.007 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000209559907 571575276 /nfs/dbraw/zinc/57/52/76/571575276.db2.gz VNPHCMZAIOCWBI-YBFXNURJSA-N -1 0 602.812 5.507 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223936172 571578922 /nfs/dbraw/zinc/57/89/22/571578922.db2.gz AODSOZGUGUTHTF-FQLXRVMXSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223940247 571579821 /nfs/dbraw/zinc/57/98/21/571579821.db2.gz PGHCKKNMZITVAE-XZWHSSHBSA-N -1 0 567.715 5.509 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223976647 571587263 /nfs/dbraw/zinc/58/72/63/571587263.db2.gz PRZTZMSOJJCZDJ-SXOMAYOGSA-N -1 0 525.634 5.323 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000223977087 571587414 /nfs/dbraw/zinc/58/74/14/571587414.db2.gz VQWDLKDSIXGCCD-SVBPBHIXSA-N -1 0 525.634 5.323 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224098076 571609637 /nfs/dbraw/zinc/60/96/37/571609637.db2.gz NTLODHMPJQDBOJ-KYJUHHDHSA-N -1 0 581.742 6.576 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224098020 571609639 /nfs/dbraw/zinc/60/96/39/571609639.db2.gz NTLODHMPJQDBOJ-XZWHSSHBSA-N -1 0 581.742 6.576 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)cc2)cc1 ZINC000224741724 571612879 /nfs/dbraw/zinc/61/28/79/571612879.db2.gz JQXASEYIBFKOGY-AJQTZOPKSA-N -1 0 590.705 7.165 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)cc2)cc1 ZINC000224744973 571613148 /nfs/dbraw/zinc/61/31/48/571613148.db2.gz MFXPGHAXPGFVSH-JHOUSYSJSA-N -1 0 604.732 7.474 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)cc2)cc1 ZINC000224745015 571613182 /nfs/dbraw/zinc/61/31/82/571613182.db2.gz MFXPGHAXPGFVSH-CZNDPXEESA-N -1 0 604.732 7.474 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224775485 571615971 /nfs/dbraw/zinc/61/59/71/571615971.db2.gz IHUDHYVJDSUQCH-IOWSJCHKSA-N -1 0 621.744 7.424 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c(OC)c1 ZINC000224808466 571619049 /nfs/dbraw/zinc/61/90/49/571619049.db2.gz XJRFQBMHYHGVBQ-KAYWLYCHSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c(OC)c1 ZINC000224808624 571619070 /nfs/dbraw/zinc/61/90/70/571619070.db2.gz AQRMKMODMFZSDT-RRPNLBNLSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c(OC)c1 ZINC000224808533 571619085 /nfs/dbraw/zinc/61/90/85/571619085.db2.gz AQRMKMODMFZSDT-SVBPBHIXSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c1 ZINC000224841270 571622333 /nfs/dbraw/zinc/62/23/33/571622333.db2.gz CREVIEBGDKICDY-RRPNLBNLSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224844434 571622596 /nfs/dbraw/zinc/62/25/96/571622596.db2.gz JHYDWXBSCHEDFM-WUFINQPMSA-N -1 0 542.661 5.690 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224903833 571628485 /nfs/dbraw/zinc/62/84/85/571628485.db2.gz OZLHUASTBDCREZ-SXOMAYOGSA-N -1 0 514.626 6.120 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224930949 571631151 /nfs/dbraw/zinc/63/11/51/571631151.db2.gz XHFWRNSUMZUDFF-IZZNHLLZSA-N -1 0 561.505 6.435 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224960524 571634024 /nfs/dbraw/zinc/63/40/24/571634024.db2.gz FDFGTPYMTYDZCT-FTJBHMTQSA-N -1 0 533.053 6.026 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224963087 571634355 /nfs/dbraw/zinc/63/43/55/571634355.db2.gz YJPRIOCPXCUWIR-SVBPBHIXSA-N -1 0 547.080 6.335 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225132621 571650382 /nfs/dbraw/zinc/65/03/82/571650382.db2.gz FXWWXOLYIDJELV-VSGBNLITSA-N -1 0 588.133 6.612 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225163081 571653540 /nfs/dbraw/zinc/65/35/40/571653540.db2.gz PHNQBUJQXSEPMQ-LOYHVIPDSA-N -1 0 567.715 6.330 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000225219574 571659204 /nfs/dbraw/zinc/65/92/04/571659204.db2.gz OTWJAQKNMVBPCI-VMPREFPWSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1OC ZINC000225300000 571668569 /nfs/dbraw/zinc/66/85/69/571668569.db2.gz ZZWZUNIHGKGBCB-XZWHSSHBSA-N -1 0 599.713 5.266 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1NC(C)=O ZINC000225320369 571675391 /nfs/dbraw/zinc/67/53/91/571675391.db2.gz UAENIPZGRSNRHU-WUFINQPMSA-N -1 0 555.660 5.331 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1NC(C)=O ZINC000225320538 571675933 /nfs/dbraw/zinc/67/59/33/571675933.db2.gz WFJWOCUCJMSILM-VSGBNLITSA-N -1 0 555.660 5.331 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225456093 571827465 /nfs/dbraw/zinc/82/74/65/571827465.db2.gz QPWNSBGGESYVOU-SVBPBHIXSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225531633 571898162 /nfs/dbraw/zinc/89/81/62/571898162.db2.gz WZIGOYNXKALQGY-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225550902 571913602 /nfs/dbraw/zinc/91/36/02/571913602.db2.gz CBFJXCLURLXYAZ-XZWHSSHBSA-N -1 0 567.715 5.751 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225572250 571933639 /nfs/dbraw/zinc/93/36/39/571933639.db2.gz PPXUPKRVWAURII-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225574249 571934701 /nfs/dbraw/zinc/93/47/01/571934701.db2.gz RVBXHRVZZLAEAS-IHLOFXLRSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225632722 571984610 /nfs/dbraw/zinc/98/46/10/571984610.db2.gz HBZPLHNWVNKPRK-FIRIVFDPSA-N -1 0 581.742 6.114 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225648610 571997333 /nfs/dbraw/zinc/99/73/33/571997333.db2.gz TZTIEKBKDRHSNA-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225687051 572023510 /nfs/dbraw/zinc/02/35/10/572023510.db2.gz NVMMBQPRHQDJJC-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225687152 572023703 /nfs/dbraw/zinc/02/37/03/572023703.db2.gz UWQKCYJXYVWBSD-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225706403 572036689 /nfs/dbraw/zinc/03/66/89/572036689.db2.gz WPIRMXBRTWCFOD-ACHIHNKUSA-N -1 0 589.721 6.342 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1c(C)c(C)c(Br)cc1[N+](=O)[O-] ZINC000408527115 572159507 /nfs/dbraw/zinc/15/95/07/572159507.db2.gz FAHDLZORKMGQFM-DHDCSXOGSA-N -1 0 522.197 5.764 40 10 KKCBRM Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408527522 572160749 /nfs/dbraw/zinc/16/07/49/572160749.db2.gz DPNVPKURNYSWCP-TWKHWXDSSA-N -1 0 668.676 8.272 40 10 KKCBRM Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408529057 572166676 /nfs/dbraw/zinc/16/66/76/572166676.db2.gz BYCWVRRWJCZKGD-NDENLUEZSA-N -1 0 573.321 5.662 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408529185 572167386 /nfs/dbraw/zinc/16/73/86/572167386.db2.gz CJIBEUVBFWFMGT-CGXYXDBZSA-N -1 0 671.254 5.414 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408529844 572169835 /nfs/dbraw/zinc/16/98/35/572169835.db2.gz DGTVLQKOXXCDRM-ODLFYWEKSA-N -1 0 574.214 5.950 40 10 KKCBRM Cc1cc(Br)cc([N+](=O)[O-])c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408530599 572172272 /nfs/dbraw/zinc/17/22/72/572172272.db2.gz JHKMPYNCJSOYCK-HYARGMPZSA-N -1 0 579.451 5.712 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408530974 572173861 /nfs/dbraw/zinc/17/38/61/572173861.db2.gz GCCVBVFFUBLTKJ-YBFXNURJSA-N -1 0 525.344 5.196 40 10 KKCBRM Cc1c(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000408530956 572173963 /nfs/dbraw/zinc/17/39/63/572173963.db2.gz JWPUBNSIACNYIL-JJIBRWJFSA-N -1 0 630.543 5.294 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000408531199 572175148 /nfs/dbraw/zinc/17/51/48/572175148.db2.gz GKDGXYGLBGSOLY-IUXPMGMMSA-N -1 0 693.098 5.588 40 10 KKCBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3Br)cc2)C1=O ZINC000408531526 572175914 /nfs/dbraw/zinc/17/59/14/572175914.db2.gz KQMHGXIKORMJAU-XMHGGMMESA-N -1 0 648.333 5.154 40 10 KKCBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3C)C2=O)c(C)c1 ZINC000408533007 572181506 /nfs/dbraw/zinc/18/15/06/572181506.db2.gz NTMOBJGATPRGSK-PCLIKHOPSA-N -1 0 540.664 5.676 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000408533009 572181684 /nfs/dbraw/zinc/18/16/84/572181684.db2.gz JAVAFRUFYHJYTN-GRSHGNNSSA-N -1 0 674.298 5.431 40 10 KKCBRM CCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408533265 572182613 /nfs/dbraw/zinc/18/26/13/572182613.db2.gz QFEIHLFRWLQLQI-HMMYKYKNSA-N -1 0 500.979 5.373 40 10 KKCBRM Cc1cc(Br)ccc1NC(=O)N/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408534127 572185351 /nfs/dbraw/zinc/18/53/51/572185351.db2.gz UWTHXJXUJUKLNW-KGENOOAVSA-N -1 0 656.375 6.276 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NC(=S)Nc1cccc2ccccc21 ZINC000408534358 572186095 /nfs/dbraw/zinc/18/60/95/572186095.db2.gz QPDYWDMOFOAUGT-NLRVBDNBSA-N -1 0 550.684 5.761 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc(Cl)cc1 ZINC000408534884 572186965 /nfs/dbraw/zinc/18/69/65/572186965.db2.gz MUQJMPICFXUTCZ-YBEGLDIGSA-N -1 0 622.628 5.890 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408534846 572187069 /nfs/dbraw/zinc/18/70/69/572187069.db2.gz MQQJZNGRKABVAP-LTRZOUJXSA-N -1 0 534.927 5.163 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000408534894 572187469 /nfs/dbraw/zinc/18/74/69/572187469.db2.gz RPQJCDXIVFEXMO-JJIBRWJFSA-N -1 0 570.487 6.649 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408535314 572188284 /nfs/dbraw/zinc/18/82/84/572188284.db2.gz NOZCGDNYJPKPIL-COTVCIPISA-N -1 0 530.964 5.332 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408535665 572189132 /nfs/dbraw/zinc/18/91/32/572189132.db2.gz OKDJUVXSPLWTPJ-IXDZKQDKSA-N -1 0 540.881 5.644 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000408535651 572189139 /nfs/dbraw/zinc/18/91/39/572189139.db2.gz OJJJYPLRRKGXAS-ODLFYWEKSA-N -1 0 663.116 6.168 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 ZINC000408535930 572189580 /nfs/dbraw/zinc/18/95/80/572189580.db2.gz PDLXROIGZOVTHY-ZDLGFXPLSA-N -1 0 683.534 6.513 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408535894 572189684 /nfs/dbraw/zinc/18/96/84/572189684.db2.gz OWPAVCOYYUUCDA-CRHXMUGCSA-N -1 0 546.963 5.033 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408535921 572189819 /nfs/dbraw/zinc/18/98/19/572189819.db2.gz PARRAPLABXXNNH-VCHYOVAHSA-N -1 0 590.213 5.650 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408536312 572190582 /nfs/dbraw/zinc/19/05/82/572190582.db2.gz QUCVDUFFARSQAW-ISXBQHCWSA-N -1 0 550.489 5.389 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408536814 572192140 /nfs/dbraw/zinc/19/21/40/572192140.db2.gz BFSHGCNHZSZSON-UYRXBGFRSA-N -1 0 549.849 6.127 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccccc3)C2=O)c1 ZINC000408536566 572191791 /nfs/dbraw/zinc/19/17/91/572191791.db2.gz SCUZNGJDIXWUBI-SNTPLNSLSA-N -1 0 626.257 5.505 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408536745 572192354 /nfs/dbraw/zinc/19/23/54/572192354.db2.gz AVMJLTQNLJJSAJ-QFEZKATASA-N -1 0 615.038 5.887 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408536947 572192818 /nfs/dbraw/zinc/19/28/18/572192818.db2.gz UCKQOHNKJQFHKH-BAWSUDPCSA-N -1 0 546.963 5.033 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408537193 572193620 /nfs/dbraw/zinc/19/36/20/572193620.db2.gz COLQIARRAJSRSW-CEUNXORHSA-N -1 0 655.545 7.289 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537384 572194388 /nfs/dbraw/zinc/19/43/88/572194388.db2.gz DIEWSPKOJCQIAK-CFRMEGHHSA-N -1 0 726.805 7.698 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000408537542 572194926 /nfs/dbraw/zinc/19/49/26/572194926.db2.gz WDGYIFZETMOCDE-SXGWCWSVSA-N -1 0 678.261 5.262 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537607 572194947 /nfs/dbraw/zinc/19/49/47/572194947.db2.gz GFILBYLUZYBTIZ-OVVQPSECSA-N -1 0 645.481 6.811 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408537653 572195582 /nfs/dbraw/zinc/19/55/82/572195582.db2.gz WMHZHCPLPYIQCA-UDWIEESQSA-N -1 0 555.370 5.286 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408537766 572196037 /nfs/dbraw/zinc/19/60/37/572196037.db2.gz HHPAURGDNPDNJI-DICXZTSXSA-N -1 0 672.090 6.870 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)C=Cc3ccccc3)C2=O)c1 ZINC000408537770 572196108 /nfs/dbraw/zinc/19/61/08/572196108.db2.gz XDCCIQNLCLDIDE-KPLOCSIDSA-N -1 0 531.362 5.043 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408538286 572197377 /nfs/dbraw/zinc/19/73/77/572197377.db2.gz KIYULRVJRCHUQM-UYRXBGFRSA-N -1 0 505.398 6.018 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538404 572197938 /nfs/dbraw/zinc/19/79/38/572197938.db2.gz MIJYKYMUWGPAEW-DICXZTSXSA-N -1 0 671.544 6.908 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538349 572198080 /nfs/dbraw/zinc/19/80/80/572198080.db2.gz LJLCXCNOCZODKZ-DICXZTSXSA-N -1 0 716.541 6.979 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538377 572198088 /nfs/dbraw/zinc/19/80/88/572198088.db2.gz LVEZRXCCTUMCPS-MXAYSNPKSA-N -1 0 688.487 6.199 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538514 572198464 /nfs/dbraw/zinc/19/84/64/572198464.db2.gz OBLSOTWOQYYYJA-DHRITJCHSA-N -1 0 691.962 7.253 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538558 572198662 /nfs/dbraw/zinc/19/86/62/572198662.db2.gz OTBNKEKRCUYJGL-YZSQISJMSA-N -1 0 647.909 6.936 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1OC ZINC000408538635 572199119 /nfs/dbraw/zinc/19/91/19/572199119.db2.gz AWPQCXOGAAJIMD-QRQIAZFYSA-N -1 0 701.172 7.369 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538820 572199472 /nfs/dbraw/zinc/19/94/72/572199472.db2.gz CCIVBGPTCAMPKP-WPWMEQJKSA-N -1 0 661.936 7.326 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408538795 572199519 /nfs/dbraw/zinc/19/95/19/572199519.db2.gz BSQOPWSKKMYHCK-ITYLOYPMSA-N -1 0 569.013 6.173 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538764 572199667 /nfs/dbraw/zinc/19/96/67/572199667.db2.gz QKIOBESPEXOGEG-WGARJPEWSA-N -1 0 631.512 7.443 40 10 KKCBRM CCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408538842 572199894 /nfs/dbraw/zinc/19/98/94/572199894.db2.gz CJRIGIZQIBGHFQ-OQKWZONESA-N -1 0 524.614 5.508 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539092 572200339 /nfs/dbraw/zinc/20/03/39/572200339.db2.gz FIGNEHJGRQVDKO-OGLMXYFKSA-N -1 0 583.040 6.563 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408539032 572200441 /nfs/dbraw/zinc/20/04/41/572200441.db2.gz DQYZLLJMQMYLLP-OOAXWGSJSA-N -1 0 548.595 5.910 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408539144 572200949 /nfs/dbraw/zinc/20/09/49/572200949.db2.gz UEPRDUBSUUZWGN-VFCFBJKWSA-N -1 0 578.621 5.918 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539148 572200962 /nfs/dbraw/zinc/20/09/62/572200962.db2.gz UGDUPGVOLOPQQB-JLPGSUDCSA-N -1 0 603.458 6.826 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539097 572201007 /nfs/dbraw/zinc/20/10/07/572201007.db2.gz SQWPOGDBFBCNBX-JJFYIABZSA-N -1 0 761.250 8.351 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1 ZINC000408539112 572201165 /nfs/dbraw/zinc/20/11/65/572201165.db2.gz SZTHQHYUMPAVKT-VUTHCHCSSA-N -1 0 622.674 6.317 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539104 572201181 /nfs/dbraw/zinc/20/11/81/572201181.db2.gz SUFXQXHYBJQPOF-CVKSISIWSA-N -1 0 613.066 6.490 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539109 572201214 /nfs/dbraw/zinc/20/12/14/572201214.db2.gz SWICRKZOQGXRQP-WPWMEQJKSA-N -1 0 596.611 6.057 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539318 572201459 /nfs/dbraw/zinc/20/14/59/572201459.db2.gz VJCGKQICDBKZRU-YSMPRRRNSA-N -1 0 658.063 6.480 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539443 572202111 /nfs/dbraw/zinc/20/21/11/572202111.db2.gz HSIXAXPIMIQAEL-VULFUBBASA-N -1 0 647.511 7.225 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408539377 572202135 /nfs/dbraw/zinc/20/21/35/572202135.db2.gz WEAREWDZOLKWLD-PDGQHHTCSA-N -1 0 535.822 5.737 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1 ZINC000408539482 572202398 /nfs/dbraw/zinc/20/23/98/572202398.db2.gz HYOIFXBFCVRHBO-UQQQWYQISA-N -1 0 617.485 7.135 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539565 572202419 /nfs/dbraw/zinc/20/24/19/572202419.db2.gz XPARFAJTFBHMON-YSMPRRRNSA-N -1 0 675.521 7.003 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408539505 572202513 /nfs/dbraw/zinc/20/25/13/572202513.db2.gz WSIMMVDZZDIFEQ-RCCKNPSSSA-N -1 0 515.006 5.763 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539660 572202834 /nfs/dbraw/zinc/20/28/34/572202834.db2.gz JDVGABKESKEZSS-XYGWBWBKSA-N -1 0 613.066 6.490 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)cc3)C2=O)cc1 ZINC000408539778 572203419 /nfs/dbraw/zinc/20/34/19/572203419.db2.gz YWPGUGQEXHZPDN-VEILYXNESA-N -1 0 592.604 5.306 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540208 572205043 /nfs/dbraw/zinc/20/50/43/572205043.db2.gz OPEIHWMWKGPIGU-JFLMPSFJSA-N -1 0 705.989 7.724 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540303 572205060 /nfs/dbraw/zinc/20/50/60/572205060.db2.gz PUEROVPQSVHTPD-MYYYXRDXSA-N -1 0 661.538 7.534 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540209 572205149 /nfs/dbraw/zinc/20/51/49/572205149.db2.gz OQBZYKYVXOJPPL-MYYYXRDXSA-N -1 0 633.553 7.381 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408540391 572205502 /nfs/dbraw/zinc/20/55/02/572205502.db2.gz REGQGFLKXBWXDB-XDHOZWIPSA-N -1 0 505.398 6.018 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408540424 572205907 /nfs/dbraw/zinc/20/59/07/572205907.db2.gz ROAZLJWUZCLMFK-XDHOZWIPSA-N -1 0 519.425 6.326 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540762 572206461 /nfs/dbraw/zinc/20/64/61/572206461.db2.gz VRBOJMUDUFNGRF-JVWAILMASA-N -1 0 627.093 6.880 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408540698 572206625 /nfs/dbraw/zinc/20/66/25/572206625.db2.gz VETNQRJCRJPWLF-YZSQISJMSA-N -1 0 569.013 6.173 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540841 572206925 /nfs/dbraw/zinc/20/69/25/572206925.db2.gz CCAWRRUXWVALDC-CJLVFECKSA-N -1 0 608.478 5.874 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1OC ZINC000408540774 572206943 /nfs/dbraw/zinc/20/69/43/572206943.db2.gz VTKRRZNZATXMMD-YUMHPJSZSA-N -1 0 731.596 7.088 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540881 572206988 /nfs/dbraw/zinc/20/69/88/572206988.db2.gz WSWJHTDXIPWRSD-JVWAILMASA-N -1 0 613.066 6.572 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(Cl)c3)C2=O)cc1OC ZINC000408541023 572207569 /nfs/dbraw/zinc/20/75/69/572207569.db2.gz XHWMDLWEPAWLAZ-YUMHPJSZSA-N -1 0 705.591 8.014 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541215 572207748 /nfs/dbraw/zinc/20/77/48/572207748.db2.gz FHOGPONQXCJKNA-NLRVBDNBSA-N -1 0 567.642 5.184 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408541156 572207910 /nfs/dbraw/zinc/20/79/10/572207910.db2.gz YBZHEMOSKOIDOJ-WGOQTCKBSA-N -1 0 647.909 6.936 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408541274 572208364 /nfs/dbraw/zinc/20/83/64/572208364.db2.gz YSZFGMJKIAQSKJ-ATVHPVEESA-N -1 0 505.398 5.936 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408541311 572208432 /nfs/dbraw/zinc/20/84/32/572208432.db2.gz ZBFKCLYQYKCTDO-MYYYXRDXSA-N -1 0 599.039 6.182 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408541570 572209042 /nfs/dbraw/zinc/20/90/42/572209042.db2.gz ZXGMHBMUPHRAPC-XDHOZWIPSA-N -1 0 549.849 6.127 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542950 572211435 /nfs/dbraw/zinc/21/14/35/572211435.db2.gz MDYPYEOUPRNAEC-KOEQRZSOSA-N -1 0 618.484 5.329 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c3ccccc32)c1 ZINC000408544405 572215866 /nfs/dbraw/zinc/21/58/66/572215866.db2.gz VXCAXJZCOOVPIF-OEAKJJBVSA-N -1 0 572.415 5.214 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)c1 ZINC000408545076 572217113 /nfs/dbraw/zinc/21/71/13/572217113.db2.gz YYGCOHAYONNTIU-VTNSRFBWSA-N -1 0 613.714 6.610 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408549949 572232830 /nfs/dbraw/zinc/23/28/30/572232830.db2.gz AAPXCRSSXYFALS-UDWIEESQSA-N -1 0 584.412 5.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550063 572233453 /nfs/dbraw/zinc/23/34/53/572233453.db2.gz BAVIKXKDWKCRGX-GIJQJNRQSA-N -1 0 759.178 6.443 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408551770 572236751 /nfs/dbraw/zinc/23/67/51/572236751.db2.gz FZDQLEAZXSTHCO-MFOYZWKCSA-N -1 0 589.775 5.239 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1I ZINC000408551987 572237268 /nfs/dbraw/zinc/23/72/68/572237268.db2.gz QOMZYIOSTUWETI-WSDLNYQXSA-N -1 0 552.412 5.425 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408552053 572237367 /nfs/dbraw/zinc/23/73/67/572237367.db2.gz NPHZOUMCKBJBAH-APSNUPSMSA-N -1 0 713.122 6.111 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552148 572237675 /nfs/dbraw/zinc/23/76/75/572237675.db2.gz OQBIJDYDVJEHDT-YBFXNURJSA-N -1 0 572.376 5.215 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000408552198 572237813 /nfs/dbraw/zinc/23/78/13/572237813.db2.gz PEINDMJZYJKDJW-CHHVJCJISA-N -1 0 716.597 7.164 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000408552535 572238572 /nfs/dbraw/zinc/23/85/72/572238572.db2.gz JIYZXOJDHCTMKK-GRSHGNNSSA-N -1 0 707.361 6.246 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553002 572239415 /nfs/dbraw/zinc/23/94/15/572239415.db2.gz UDILFCLVKAUYKD-GIJQJNRQSA-N -1 0 651.272 5.978 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408552940 572239511 /nfs/dbraw/zinc/23/95/11/572239511.db2.gz LVSYYLBVMJDLDU-OYKKKHCWSA-N -1 0 695.353 7.019 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408553361 572240271 /nfs/dbraw/zinc/24/02/71/572240271.db2.gz OGLALPIHDHSHHU-VXLYETTFSA-N -1 0 663.308 5.847 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000408553297 572240287 /nfs/dbraw/zinc/24/02/87/572240287.db2.gz NOYNTNWLNWKFGP-GRSHGNNSSA-N -1 0 662.910 6.137 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000408553404 572240724 /nfs/dbraw/zinc/24/07/24/572240724.db2.gz VZJWEMJOGDFRFH-BKUYFWCQSA-N -1 0 642.492 5.873 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553660 572241027 /nfs/dbraw/zinc/24/10/27/572241027.db2.gz OZTUQXVJJXVWHG-CFRMEGHHSA-N -1 0 725.379 7.027 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408553831 572241234 /nfs/dbraw/zinc/24/12/34/572241234.db2.gz PUSZRSJEGVOYLP-QQXSKIMKSA-N -1 0 616.457 6.256 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000408554622 572242086 /nfs/dbraw/zinc/24/20/86/572242086.db2.gz SHZUOLVWTOBSGU-RGVLZGJSSA-N -1 0 676.937 6.527 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408555162 572242560 /nfs/dbraw/zinc/24/25/60/572242560.db2.gz VYAPVYRVKMEHPL-IUXPMGMMSA-N -1 0 634.226 5.348 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000408555323 572242695 /nfs/dbraw/zinc/24/26/95/572242695.db2.gz XAIYOZBWDKYFEN-RGVLZGJSSA-N -1 0 721.388 6.636 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555893 572243515 /nfs/dbraw/zinc/24/35/15/572243515.db2.gz ZMTFNFXTEVZXOL-OCKHKDLRSA-N -1 0 647.309 6.065 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])o1 ZINC000408631882 572288213 /nfs/dbraw/zinc/28/82/13/572288213.db2.gz GXTVYWZDRIGSOK-YDZHTSKRSA-N -1 0 525.030 6.090 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])o1 ZINC000408632295 572288566 /nfs/dbraw/zinc/28/85/66/572288566.db2.gz ILXRGHGBCPFUAB-NKVSQWTQSA-N -1 0 550.851 7.331 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408632838 572289443 /nfs/dbraw/zinc/28/94/43/572289443.db2.gz KRVOKGIJRWCSNO-UUYOSTAYSA-N -1 0 521.555 5.022 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[O-])n[nH]1 ZINC000408633077 572289728 /nfs/dbraw/zinc/28/97/28/572289728.db2.gz VSIHPMWSGHKAMC-UUYOSTAYSA-N -1 0 509.031 6.376 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633091 572289730 /nfs/dbraw/zinc/28/97/30/572289730.db2.gz LLFJVVRMZPPVFC-HAHDFKILSA-N -1 0 507.059 6.861 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])o1 ZINC000408633197 572289814 /nfs/dbraw/zinc/28/98/14/572289814.db2.gz MFJGRLZLZPPYSS-NHDPSOOVSA-N -1 0 607.857 6.629 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])c2C)c1C ZINC000408634987 572292054 /nfs/dbraw/zinc/29/20/54/572292054.db2.gz WDRUDVONXLCXEE-LPYMAVHISA-N -1 0 523.014 5.845 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408635150 572292206 /nfs/dbraw/zinc/29/22/06/572292206.db2.gz XHSSHJKSFUIZHJ-USHMODERSA-N -1 0 555.103 7.911 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260565661 572322606 /nfs/dbraw/zinc/32/26/06/572322606.db2.gz JLIOYIUFAIAHDF-SKCQWOFPSA-N -1 0 500.426 6.160 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OCC ZINC000096193403 1069689013 /nfs/dbraw/zinc/68/90/13/1069689013.db2.gz ZLLMKQDUVDPHNE-SXGWCWSVSA-N -1 0 521.795 5.794 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OCC(C)C ZINC000096193389 1069689231 /nfs/dbraw/zinc/68/92/31/1069689231.db2.gz JAYXCTKYDLGNKE-APSNUPSMSA-N -1 0 521.795 5.650 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000102556695 1069704815 /nfs/dbraw/zinc/70/48/15/1069704815.db2.gz AQOOSPCTYWMEIH-UDWIEESQSA-N -1 0 545.764 5.859 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000103119885 1069708385 /nfs/dbraw/zinc/70/83/85/1069708385.db2.gz MLCSWCKEKJTMRN-UDWIEESQSA-N -1 0 529.309 5.345 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)c(Br)c(Br)c1O ZINC000108422974 1069716806 /nfs/dbraw/zinc/71/68/06/1069716806.db2.gz SVLIRNUTVPWMSC-SDQBBNPISA-N -1 0 558.610 5.474 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1OCc1ccccc1Cl ZINC000108422720 1069716820 /nfs/dbraw/zinc/71/68/20/1069716820.db2.gz CWVRHSSWLRKIKH-NDENLUEZSA-N -1 0 525.388 6.475 40 10 KKCBRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C(=O)c3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000408713530 1069735747 /nfs/dbraw/zinc/73/57/47/1069735747.db2.gz GGWJMMNUONLNIW-IBGZPJMESA-N -1 0 531.033 5.963 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000408743229 1069736864 /nfs/dbraw/zinc/73/68/64/1069736864.db2.gz VMTQAHBTIPQURX-GZTJUZNOSA-N -1 0 501.789 5.502 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)ccc1Br ZINC000408751873 1069737644 /nfs/dbraw/zinc/73/76/44/1069737644.db2.gz DFNYICXOKNCKDQ-WSDLNYQXSA-N -1 0 654.742 7.572 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2c1 ZINC000408770992 1069739116 /nfs/dbraw/zinc/73/91/16/1069739116.db2.gz DAITYAJNTJDPFV-KGENOOAVSA-N -1 0 509.356 5.066 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)c1 ZINC000408778171 1069740471 /nfs/dbraw/zinc/74/04/71/1069740471.db2.gz PXYPQHUCSJMEHS-KEBDBYFISA-N -1 0 665.709 6.569 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408781189 1069740594 /nfs/dbraw/zinc/74/05/94/1069740594.db2.gz BHEDPGSYCASHCT-CAOOACKPSA-N -1 0 671.194 6.937 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408812828 1069742170 /nfs/dbraw/zinc/74/21/70/1069742170.db2.gz XHYFNLREBRDESZ-YBFXNURJSA-N -1 0 614.836 5.963 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1Cl ZINC000408834953 1069744781 /nfs/dbraw/zinc/74/47/81/1069744781.db2.gz XNRZSQHPMZNKGC-UDWIEESQSA-N -1 0 541.785 5.357 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Br)C2=O)cc1Cl ZINC000408888613 1069750662 /nfs/dbraw/zinc/75/06/62/1069750662.db2.gz XWFHNYGZJDCPCD-XDHOZWIPSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408895246 1069751094 /nfs/dbraw/zinc/75/10/94/1069751094.db2.gz DCDMWDDXZWZMQS-HAHDFKILSA-N -1 0 611.464 6.411 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408884286 1069749724 /nfs/dbraw/zinc/74/97/24/1069749724.db2.gz WOSPALXRNBHZLA-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000408884257 1069749845 /nfs/dbraw/zinc/74/98/45/1069749845.db2.gz WLMMOBJLNVSJQW-TURZUDJPSA-N -1 0 568.607 5.008 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408914565 1069754223 /nfs/dbraw/zinc/75/42/23/1069754223.db2.gz QTZJMGMFWKGLDW-LICLKQGHSA-N -1 0 533.856 5.986 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1O ZINC000408940161 1069760429 /nfs/dbraw/zinc/76/04/29/1069760429.db2.gz UKYWBVGISPTSLK-YBFXNURJSA-N -1 0 571.811 5.452 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408947932 1069762023 /nfs/dbraw/zinc/76/20/23/1069762023.db2.gz DSOLTBKPTGJUAZ-VTNSRFBWSA-N -1 0 661.596 8.316 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408966148 1069764060 /nfs/dbraw/zinc/76/40/60/1069764060.db2.gz LNSINJWUUOQNHX-ZDLGFXPLSA-N -1 0 579.822 5.323 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408982037 1069766942 /nfs/dbraw/zinc/76/69/42/1069766942.db2.gz FIHRYBACJZALFM-XKZIYDEJSA-N -1 0 567.411 5.795 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Br)c3)C2=O)cc1Cl ZINC000408983150 1069767015 /nfs/dbraw/zinc/76/70/15/1069767015.db2.gz KZIMOXHIDUONSC-NVMNQCDNSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090406 1069775027 /nfs/dbraw/zinc/77/50/27/1069775027.db2.gz NBHPTNYOZZQPFA-RIYZIHGNSA-N -1 0 664.752 5.228 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409136486 1069787133 /nfs/dbraw/zinc/78/71/33/1069787133.db2.gz RKBKYWUOOJJLJQ-YDZHTSKRSA-N -1 0 749.396 6.491 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183136 1069797527 /nfs/dbraw/zinc/79/75/27/1069797527.db2.gz AJISQIZTTGJBDO-DFQQAYTPSA-N -1 0 644.753 6.119 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408765905 1069868915 /nfs/dbraw/zinc/86/89/15/1069868915.db2.gz RMXYFWFSSPFJNF-RGVLZGJSSA-N -1 0 695.735 6.660 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408770879 1069870243 /nfs/dbraw/zinc/87/02/43/1069870243.db2.gz BWPNMKOXDKXPQB-GIJQJNRQSA-N -1 0 658.254 7.419 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000408771172 1069870667 /nfs/dbraw/zinc/87/06/67/1069870667.db2.gz DSPVAERHOCRYME-WOJGMQOQSA-N -1 0 559.884 6.288 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1C ZINC000408769610 1069877060 /nfs/dbraw/zinc/87/70/60/1069877060.db2.gz XFBZHAZAINQVOZ-MFKUBSTISA-N -1 0 545.422 7.009 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000408769663 1069877125 /nfs/dbraw/zinc/87/71/25/1069877125.db2.gz YUENQHSQOYCOPW-GIJQJNRQSA-N -1 0 627.649 6.497 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408769113 1069874689 /nfs/dbraw/zinc/87/46/89/1069874689.db2.gz ODCNHQDBMUQJAV-OQLLNIDSSA-N -1 0 599.776 6.920 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408772757 1069885885 /nfs/dbraw/zinc/88/58/85/1069885885.db2.gz FNQWUUXVNBNBBR-WSDLNYQXSA-N -1 0 675.317 6.315 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c1C)CCCC2 ZINC000408772010 1069883045 /nfs/dbraw/zinc/88/30/45/1069883045.db2.gz JPNGQMZETLEMGN-SFQUDFHCSA-N -1 0 572.470 5.794 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(I)c3)C2=O)c1 ZINC000408772366 1069883841 /nfs/dbraw/zinc/88/38/41/1069883841.db2.gz LGCPWTDWAPWAQU-CIAFOILYSA-N -1 0 586.813 5.807 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408772238 1069884191 /nfs/dbraw/zinc/88/41/91/1069884191.db2.gz MZKZKPRNZKXDND-LDADJPATSA-N -1 0 545.806 6.291 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408774885 1069891146 /nfs/dbraw/zinc/89/11/46/1069891146.db2.gz YLSHXVZBFOAMGC-ZVHZXABRSA-N -1 0 557.950 5.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408777486 1069894521 /nfs/dbraw/zinc/89/45/21/1069894521.db2.gz AMCYBDIKHTUFIH-OEAKJJBVSA-N -1 0 549.421 5.710 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408777903 1069896077 /nfs/dbraw/zinc/89/60/77/1069896077.db2.gz LLVDAPODPUJWDQ-YBFXNURJSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408779039 1069899184 /nfs/dbraw/zinc/89/91/84/1069899184.db2.gz POODKSMJZKKHPR-LDADJPATSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Br)c1 ZINC000408779581 1069900572 /nfs/dbraw/zinc/90/05/72/1069900572.db2.gz GBYKVJDMFOEMRA-SRZZPIQSSA-N -1 0 553.840 6.273 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408779730 1069901456 /nfs/dbraw/zinc/90/14/56/1069901456.db2.gz JEDVASKBGGTHKP-HZHRSRAPSA-N -1 0 580.891 6.516 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408780753 1069904725 /nfs/dbraw/zinc/90/47/25/1069904725.db2.gz JOTGWVLDTOKYCR-RGVLZGJSSA-N -1 0 600.263 5.774 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408781050 1069905294 /nfs/dbraw/zinc/90/52/94/1069905294.db2.gz QREIQKKZBUCMDU-MUFRIFMGSA-N -1 0 519.645 6.228 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(I)cc3)C2=O)c1 ZINC000408783023 1069908313 /nfs/dbraw/zinc/90/83/13/1069908313.db2.gz MDVMKFDJWLUWNO-LPYMAVHISA-N -1 0 631.264 5.916 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1 ZINC000408784677 1069912292 /nfs/dbraw/zinc/91/22/92/1069912292.db2.gz RSHUIORPTYDJJF-VXLYETTFSA-N -1 0 698.682 6.103 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408785166 1069913273 /nfs/dbraw/zinc/91/32/73/1069913273.db2.gz YHIANUIQAFNOAS-FYJGNVAPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)c1 ZINC000408785239 1069914184 /nfs/dbraw/zinc/91/41/84/1069914184.db2.gz VHKLIWUWHDNDHD-KEBDBYFISA-N -1 0 602.254 6.213 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408785964 1069919713 /nfs/dbraw/zinc/91/97/13/1069919713.db2.gz CSYIFCUMAHFHPQ-YBFXNURJSA-N -1 0 602.304 5.631 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408786507 1069921678 /nfs/dbraw/zinc/92/16/78/1069921678.db2.gz RNZAJIQHOVFSLG-WOJGMQOQSA-N -1 0 580.649 6.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408786878 1069922935 /nfs/dbraw/zinc/92/29/35/1069922935.db2.gz WZBNYKPNWKUUTI-CVKSISIWSA-N -1 0 646.481 6.705 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408796128 1069928698 /nfs/dbraw/zinc/92/86/98/1069928698.db2.gz DRRKCROEDNHMRR-BUVRLJJBSA-N -1 0 526.976 6.056 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408797104 1069931568 /nfs/dbraw/zinc/93/15/68/1069931568.db2.gz BEVOFYJWPIYGIC-YBFXNURJSA-N -1 0 559.833 6.599 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408796977 1069931580 /nfs/dbraw/zinc/93/15/80/1069931580.db2.gz FJWQTDDWTSSMSQ-BUVRLJJBSA-N -1 0 585.454 6.555 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408797682 1069932305 /nfs/dbraw/zinc/93/23/05/1069932305.db2.gz CODBDUBLIKSLDO-YZSQISJMSA-N -1 0 510.977 6.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408799969 1069935172 /nfs/dbraw/zinc/93/51/72/1069935172.db2.gz MDXVHTXJYSCEGM-FYJGNVAPSA-N -1 0 582.394 5.244 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408800542 1069937151 /nfs/dbraw/zinc/93/71/51/1069937151.db2.gz NULZXODZMXBIRB-VXLYETTFSA-N -1 0 557.784 5.062 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408800822 1069937659 /nfs/dbraw/zinc/93/76/59/1069937659.db2.gz PPKBENMMXXDYLR-VXLYETTFSA-N -1 0 501.753 5.892 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408801149 1069938684 /nfs/dbraw/zinc/93/86/84/1069938684.db2.gz RQOCZMBVCMZXLE-FYJGNVAPSA-N -1 0 614.246 5.244 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408801181 1069938792 /nfs/dbraw/zinc/93/87/92/1069938792.db2.gz RZJBQPIKUBQPEE-VXLYETTFSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408801086 1069938824 /nfs/dbraw/zinc/93/88/24/1069938824.db2.gz SNQXVORBZFLNEU-KEBDBYFISA-N -1 0 573.860 6.908 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408801340 1069938898 /nfs/dbraw/zinc/93/88/98/1069938898.db2.gz VKBSFIFOSNYYBB-PCLIKHOPSA-N -1 0 589.431 6.569 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408801750 1069940348 /nfs/dbraw/zinc/94/03/48/1069940348.db2.gz VOJMVQMGAOZLMI-WPWMEQJKSA-N -1 0 573.432 6.818 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408801640 1069940412 /nfs/dbraw/zinc/94/04/12/1069940412.db2.gz VBWWKXGXCGQNKQ-JVWAILMASA-N -1 0 661.936 7.326 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408802148 1069941221 /nfs/dbraw/zinc/94/12/21/1069941221.db2.gz XBUZCFXRSXTABJ-FSJBWODESA-N -1 0 575.448 7.017 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408806544 1069941980 /nfs/dbraw/zinc/94/19/80/1069941980.db2.gz FFXFFNFVACRKPW-RGVLZGJSSA-N -1 0 539.415 6.173 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408807040 1069942824 /nfs/dbraw/zinc/94/28/24/1069942824.db2.gz JXDBCYHERPSQAO-HZHRSRAPSA-N -1 0 548.979 5.161 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408803910 1069948430 /nfs/dbraw/zinc/94/84/30/1069948430.db2.gz URBQNDXDXCABQS-YBFXNURJSA-N -1 0 661.836 5.805 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C1=O ZINC000408803932 1069948529 /nfs/dbraw/zinc/94/85/29/1069948529.db2.gz UXLAPSUGAJWJHH-XDHOZWIPSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408804599 1069950704 /nfs/dbraw/zinc/95/07/04/1069950704.db2.gz YSXQZHPUXUZYCP-VCHYOVAHSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408804609 1069950734 /nfs/dbraw/zinc/95/07/34/1069950734.db2.gz YWMYAPXOFZVNON-DEDYPNTBSA-N -1 0 569.839 6.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408804525 1069950042 /nfs/dbraw/zinc/95/00/42/1069950042.db2.gz YASHJGFIIUIJGO-UDWIEESQSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408803053 1069946783 /nfs/dbraw/zinc/94/67/83/1069946783.db2.gz KTOPNUVYPYXSPF-FSJBWODESA-N -1 0 652.872 6.660 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408803559 1069947260 /nfs/dbraw/zinc/94/72/60/1069947260.db2.gz QLVMTEKCGIIXKX-RGVLZGJSSA-N -1 0 555.370 5.034 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408803612 1069947356 /nfs/dbraw/zinc/94/73/56/1069947356.db2.gz RGASWKIGZDRXMW-RGVLZGJSSA-N -1 0 644.272 5.252 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408803387 1069947487 /nfs/dbraw/zinc/94/74/87/1069947487.db2.gz OGLGJQYLSLZUHI-FSJBWODESA-N -1 0 652.872 6.660 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 ZINC000408803490 1069947580 /nfs/dbraw/zinc/94/75/80/1069947580.db2.gz PQNUYDKJRRRUPQ-LPYMAVHISA-N -1 0 563.404 5.098 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408804744 1069951022 /nfs/dbraw/zinc/95/10/22/1069951022.db2.gz HCKIFELHBRFJSM-AFUMVMLFSA-N -1 0 537.528 5.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408807482 1069951636 /nfs/dbraw/zinc/95/16/36/1069951636.db2.gz CQSLVHJZESBQSM-WSDLNYQXSA-N -1 0 594.418 5.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408804997 1069951711 /nfs/dbraw/zinc/95/17/11/1069951711.db2.gz IHYYFCVXAIQIIC-KEBDBYFISA-N -1 0 556.358 5.546 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408805763 1069954296 /nfs/dbraw/zinc/95/42/96/1069954296.db2.gz HLWQTJGIHWDPBY-WGOQTCKBSA-N -1 0 662.480 6.487 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000408807699 1069957408 /nfs/dbraw/zinc/95/74/08/1069957408.db2.gz DRDANAHMPMOGTP-RGVLZGJSSA-N -1 0 554.886 6.790 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408807990 1069958222 /nfs/dbraw/zinc/95/82/22/1069958222.db2.gz LXTJIVJFILRXBS-CIAFOILYSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408808663 1069959554 /nfs/dbraw/zinc/95/95/54/1069959554.db2.gz JXOAZKKJDABRFW-GIJQJNRQSA-N -1 0 624.702 7.053 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408808584 1069959598 /nfs/dbraw/zinc/95/95/98/1069959598.db2.gz JMRUCUTYGCFUOR-DJKKODMXSA-N -1 0 667.681 5.961 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000408808587 1069959684 /nfs/dbraw/zinc/95/96/84/1069959684.db2.gz MPPFNYJSPHJSGM-RDRPBHBLSA-N -1 0 611.492 6.890 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408808624 1069959876 /nfs/dbraw/zinc/95/98/76/1069959876.db2.gz JRCNQRUPMSXXKF-JVWAILMASA-N -1 0 719.488 6.423 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408808843 1069960429 /nfs/dbraw/zinc/96/04/29/1069960429.db2.gz GMBCODDMJFMGCP-YZSQISJMSA-N -1 0 583.438 6.274 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408809022 1069961522 /nfs/dbraw/zinc/96/15/22/1069961522.db2.gz HAYQTRSRINMVRP-CIAFOILYSA-N -1 0 549.421 5.628 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000408809131 1069961540 /nfs/dbraw/zinc/96/15/40/1069961540.db2.gz KCAJTQZHOSEZOG-UDWIEESQSA-N -1 0 550.365 5.220 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000408811859 1069966809 /nfs/dbraw/zinc/96/68/09/1069966809.db2.gz OLXAPZDWQRQTQC-FYJGNVAPSA-N -1 0 505.914 5.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408811928 1069966955 /nfs/dbraw/zinc/96/69/55/1069966955.db2.gz KWFCKQOYIBFYSU-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408819504 1069971710 /nfs/dbraw/zinc/97/17/10/1069971710.db2.gz ZBCAMRRWKLERBW-LPYMAVHISA-N -1 0 504.970 5.601 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408815296 1069969220 /nfs/dbraw/zinc/96/92/20/1069969220.db2.gz PYEZNSPOJSJZER-VCHYOVAHSA-N -1 0 637.257 6.160 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815508 1069970159 /nfs/dbraw/zinc/97/01/59/1069970159.db2.gz RNKIGQGOMBWTLZ-CIAFOILYSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408818423 1069976829 /nfs/dbraw/zinc/97/68/29/1069976829.db2.gz WUHDFZJGIWTCNM-MFKUBSTISA-N -1 0 555.030 6.754 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408818214 1069976221 /nfs/dbraw/zinc/97/62/21/1069976221.db2.gz ZRWKQZAYVPDSNT-WSDLNYQXSA-N -1 0 555.483 6.419 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408813572 1069978236 /nfs/dbraw/zinc/97/82/36/1069978236.db2.gz XYVMMTQXIYERHZ-REZTVBANSA-N -1 0 706.147 7.549 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1 ZINC000408813563 1069978547 /nfs/dbraw/zinc/97/85/47/1069978547.db2.gz OIVQQZVXNLYRCE-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408814498 1069981317 /nfs/dbraw/zinc/98/13/17/1069981317.db2.gz ZGLKZOSOYPZXMY-WGOQTCKBSA-N -1 0 571.029 6.536 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408822382 1069982909 /nfs/dbraw/zinc/98/29/09/1069982909.db2.gz BCCMXLARNFTBRO-AJBULDERSA-N -1 0 647.127 8.025 40 10 KKCBRM Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c1 ZINC000408823027 1069985199 /nfs/dbraw/zinc/98/51/99/1069985199.db2.gz CCPLTHFCYYADIR-LSXLHRJESA-N -1 0 709.846 9.271 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408823122 1069985883 /nfs/dbraw/zinc/98/58/83/1069985883.db2.gz CSRODXYGZHFYFQ-JVWAILMASA-N -1 0 658.461 6.190 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408823543 1069988544 /nfs/dbraw/zinc/98/85/44/1069988544.db2.gz DWSQTNAXHPAHMU-BIZUNTBRSA-N -1 0 705.605 8.442 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408823815 1069989027 /nfs/dbraw/zinc/98/90/27/1069989027.db2.gz FGWOPJQHNFBVIQ-LQKURTRISA-N -1 0 767.414 7.585 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408823819 1069989344 /nfs/dbraw/zinc/98/93/44/1069989344.db2.gz FHZURHKQMUFUFY-UXHLAJHPSA-N -1 0 657.937 8.624 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408824169 1069991532 /nfs/dbraw/zinc/99/15/32/1069991532.db2.gz PWENDPPRNMIPNA-AFUMVMLFSA-N -1 0 621.448 6.966 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408821334 1069996928 /nfs/dbraw/zinc/99/69/28/1069996928.db2.gz GHZVGMWNFFOFSX-CAOOACKPSA-N -1 0 602.383 5.173 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408821720 1069998337 /nfs/dbraw/zinc/99/83/37/1069998337.db2.gz AJZVYYMFTIUCKE-SVIFBFQDSA-N -1 0 675.785 7.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408825957 1070002450 /nfs/dbraw/zinc/00/24/50/1070002450.db2.gz SFGPHBYFJUFDAH-JFLMPSFJSA-N -1 0 706.387 7.353 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408822026 1069999749 /nfs/dbraw/zinc/99/97/49/1069999749.db2.gz ADOROYYMHQHDFV-WSDLNYQXSA-N -1 0 635.500 7.116 40 10 KKCBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408821932 1069999953 /nfs/dbraw/zinc/99/99/53/1069999953.db2.gz ANDRLOQUAQNANO-YZSQISJMSA-N -1 0 575.448 7.181 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408826060 1070002175 /nfs/dbraw/zinc/00/21/75/1070002175.db2.gz BLHLLCQHUSXENJ-JVWAILMASA-N -1 0 603.458 6.826 40 10 KKCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408827645 1070007796 /nfs/dbraw/zinc/00/77/96/1070007796.db2.gz LSEJEMUVTNYIBK-GBVSXCPGSA-N -1 0 597.715 7.019 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccccc5)c(Cl)c4)C3=O)cc2)cc1 ZINC000408828294 1070009095 /nfs/dbraw/zinc/00/90/95/1070009095.db2.gz DJQMVSPHFOLURT-WPWMEQJKSA-N -1 0 553.014 6.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408828055 1070009130 /nfs/dbraw/zinc/00/91/30/1070009130.db2.gz LJIQCZVOYHWOSO-MTDXEUNCSA-N -1 0 627.491 6.672 40 10 KKCBRM Cc1cccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000408824533 1070009656 /nfs/dbraw/zinc/00/96/56/1070009656.db2.gz ICMNDXUQYVJKNI-HAHDFKILSA-N -1 0 564.947 7.066 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408824490 1070009777 /nfs/dbraw/zinc/00/97/77/1070009777.db2.gz HVHOTISSTGJIOY-MFKUBSTISA-N -1 0 694.909 6.778 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408824630 1070010685 /nfs/dbraw/zinc/01/06/85/1070010685.db2.gz IQEPNHNHXZRDCG-OMCISZLKSA-N -1 0 626.276 6.571 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000408825027 1070011050 /nfs/dbraw/zinc/01/10/50/1070011050.db2.gz IVCOTACXYOWCOC-ICRUSFEGSA-N -1 0 680.204 8.463 40 10 KKCBRM CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408825148 1070011766 /nfs/dbraw/zinc/01/17/66/1070011766.db2.gz JKJBRXBXPOFZGN-OEAKJJBVSA-N -1 0 569.839 6.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Br)c1OC ZINC000408829824 1070016545 /nfs/dbraw/zinc/01/65/45/1070016545.db2.gz NHZBJVAOWWFILS-FUVGEBJNSA-N -1 0 692.610 7.400 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000408825270 1070012716 /nfs/dbraw/zinc/01/27/16/1070012716.db2.gz IBNKGKWSZVZMTA-NDZAJKAJSA-N -1 0 623.492 7.971 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408825823 1070013932 /nfs/dbraw/zinc/01/39/32/1070013932.db2.gz JNEFHQKCNMINFJ-PYGYCGBUSA-N -1 0 645.759 7.810 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1Br ZINC000408829156 1070015358 /nfs/dbraw/zinc/01/53/58/1070015358.db2.gz XEUIULYTWYMIJN-UDWIEESQSA-N -1 0 586.236 5.466 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408831037 1070019815 /nfs/dbraw/zinc/01/98/15/1070019815.db2.gz GWDDAQXQHGLNKK-ODLFYWEKSA-N -1 0 549.332 6.566 40 10 KKCBRM CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408831434 1070020938 /nfs/dbraw/zinc/02/09/38/1070020938.db2.gz QSJSGMPGOPKTCM-YZSQISJMSA-N -1 0 541.003 6.526 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OC(C)C ZINC000408830789 1070018440 /nfs/dbraw/zinc/01/84/40/1070018440.db2.gz PWSPTKZURCERNW-YDZHTSKRSA-N -1 0 626.447 5.641 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408832949 1070025422 /nfs/dbraw/zinc/02/54/22/1070025422.db2.gz QZGPEZHHHXRVRZ-CVKSISIWSA-N -1 0 679.926 7.465 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408836755 1070028472 /nfs/dbraw/zinc/02/84/72/1070028472.db2.gz VDPXEWIBULUWAZ-VULFUBBASA-N -1 0 784.357 6.795 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408837076 1070028871 /nfs/dbraw/zinc/02/88/71/1070028871.db2.gz YPTUXNZRTNNLQZ-OEAKJJBVSA-N -1 0 525.388 6.028 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408837038 1070029055 /nfs/dbraw/zinc/02/90/55/1070029055.db2.gz YDGSFFFBTIHQDN-VFKNEVJASA-N -1 0 725.201 8.371 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408837041 1070029228 /nfs/dbraw/zinc/02/92/28/1070029228.db2.gz YEPCALMHPZZEIF-WSDLNYQXSA-N -1 0 599.865 6.144 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408833463 1070031016 /nfs/dbraw/zinc/03/10/16/1070031016.db2.gz KKCQMAQSEWITHJ-JFLMPSFJSA-N -1 0 661.936 7.244 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408834274 1070032894 /nfs/dbraw/zinc/03/28/94/1070032894.db2.gz LIHHJBBDRKOMMG-ZFBWJQNISA-N -1 0 772.671 8.720 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408834345 1070033663 /nfs/dbraw/zinc/03/36/63/1070033663.db2.gz VZOYSUGHDYUVPB-UZWMFBFFSA-N -1 0 612.682 7.290 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408834556 1070034466 /nfs/dbraw/zinc/03/44/66/1070034466.db2.gz WMTYLZBXLBTAPN-OKCVXOCRSA-N -1 0 701.990 9.023 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1Cl ZINC000408834841 1070035718 /nfs/dbraw/zinc/03/57/18/1070035718.db2.gz XAASILYAWBSRMB-PWRNKBSVSA-N -1 0 632.160 7.671 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408834922 1070035775 /nfs/dbraw/zinc/03/57/75/1070035775.db2.gz XKIDOMUPKXWJST-ODLFYWEKSA-N -1 0 545.857 5.512 40 10 KKCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408834831 1070035831 /nfs/dbraw/zinc/03/58/31/1070035831.db2.gz MJCWZISHGRUBLJ-VSANAXRYSA-N -1 0 569.661 6.239 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408834932 1070035862 /nfs/dbraw/zinc/03/58/62/1070035862.db2.gz WGTBZJSTNQEXMS-MZJWZYIUSA-N -1 0 637.903 7.480 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408835656 1070038341 /nfs/dbraw/zinc/03/83/41/1070038341.db2.gz XUHOEUCYUHGLLH-SWIRUNBASA-N -1 0 847.604 9.733 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408845494 1070052134 /nfs/dbraw/zinc/05/21/34/1070052134.db2.gz HIQKIPFALCHJEM-OVCLIPMQSA-N -1 0 597.263 6.619 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)c1 ZINC000408845350 1070051607 /nfs/dbraw/zinc/05/16/07/1070051607.db2.gz MJAARIXTNCAPKQ-LPYMAVHISA-N -1 0 674.463 5.872 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000408847759 1070056513 /nfs/dbraw/zinc/05/65/13/1070056513.db2.gz RIRYAFYESSZJRS-XYOKQWHBSA-N -1 0 544.254 5.385 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408853276 1070061201 /nfs/dbraw/zinc/06/12/01/1070061201.db2.gz QNKJBTMTCZURHM-OQLLNIDSSA-N -1 0 539.271 6.539 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC)c(Br)c3)C2=O)c1 ZINC000408850096 1070063571 /nfs/dbraw/zinc/06/35/71/1070063571.db2.gz FVRGBFYTRZNTIG-OQLLNIDSSA-N -1 0 582.245 5.074 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408850749 1070064909 /nfs/dbraw/zinc/06/49/09/1070064909.db2.gz DRCXQMQVCNVTFR-SXGWCWSVSA-N -1 0 673.743 6.670 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)c1 ZINC000408851026 1070064928 /nfs/dbraw/zinc/06/49/28/1070064928.db2.gz URFQIEXEHJRBIN-RGVLZGJSSA-N -1 0 634.310 6.799 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408853769 1070071450 /nfs/dbraw/zinc/07/14/50/1070071450.db2.gz RLVQTLCOLSMTPY-RGVLZGJSSA-N -1 0 508.933 5.350 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408853950 1070071330 /nfs/dbraw/zinc/07/13/30/1070071330.db2.gz UCSKUHONSQBVTN-UDWIEESQSA-N -1 0 642.358 7.328 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000408853533 1070070424 /nfs/dbraw/zinc/07/04/24/1070070424.db2.gz VBIYCFWGOGGLOJ-XDHOZWIPSA-N -1 0 551.411 5.736 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408853467 1070070599 /nfs/dbraw/zinc/07/05/99/1070070599.db2.gz UBULHJSRQZUPNY-OVCLIPMQSA-N -1 0 686.165 6.837 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408854064 1070071951 /nfs/dbraw/zinc/07/19/51/1070071951.db2.gz WUOJYQXDKVQBPZ-XFXZXTDPSA-N -1 0 512.201 6.392 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000408856367 1070075114 /nfs/dbraw/zinc/07/51/14/1070075114.db2.gz HSNAWQGMWWBNMO-CPNJWEJPSA-N -1 0 512.462 6.103 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408859457 1070076017 /nfs/dbraw/zinc/07/60/17/1070076017.db2.gz XRPLGLXKYRITSY-FYJGNVAPSA-N -1 0 611.934 7.609 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408859506 1070076137 /nfs/dbraw/zinc/07/61/37/1070076137.db2.gz UUKNGUKBVSVYQM-ZVHZXABRSA-N -1 0 532.427 6.588 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408864944 1070081742 /nfs/dbraw/zinc/08/17/42/1070081742.db2.gz AERHSTCVVKEJNN-YDZHTSKRSA-N -1 0 534.366 5.231 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408865646 1070083628 /nfs/dbraw/zinc/08/36/28/1070083628.db2.gz DMLXXJIXKCRLRS-SRZZPIQSSA-N -1 0 527.379 6.097 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408867897 1070088879 /nfs/dbraw/zinc/08/88/79/1070088879.db2.gz OIVLEHJPZGDZCX-UDWIEESQSA-N -1 0 553.796 5.146 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408866351 1070085529 /nfs/dbraw/zinc/08/55/29/1070085529.db2.gz GYETXQIQQUWQBK-CIAFOILYSA-N -1 0 614.867 6.217 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408869905 1070087323 /nfs/dbraw/zinc/08/73/23/1070087323.db2.gz STHGXLUBOWTNPD-MFOYZWKCSA-N -1 0 563.796 6.430 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408867428 1070087464 /nfs/dbraw/zinc/08/74/64/1070087464.db2.gz MGHIVDZECJNJHB-WSDLNYQXSA-N -1 0 645.291 5.936 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Cc2ccccc2Br)C1=O ZINC000408868956 1070089911 /nfs/dbraw/zinc/08/99/11/1070089911.db2.gz QSUOWTODGGAICJ-XMHGGMMESA-N -1 0 509.787 5.668 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408868590 1070090285 /nfs/dbraw/zinc/09/02/85/1070090285.db2.gz NBCBWXVYGFZGQZ-YDZHTSKRSA-N -1 0 596.421 5.182 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408869935 1070092819 /nfs/dbraw/zinc/09/28/19/1070092819.db2.gz RDGMOFZCAJJADN-OEAKJJBVSA-N -1 0 502.998 5.921 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000408871784 1070096478 /nfs/dbraw/zinc/09/64/78/1070096478.db2.gz ZOMCNQQMMBZVOJ-HAHDFKILSA-N -1 0 505.437 5.488 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408873407 1070099257 /nfs/dbraw/zinc/09/92/57/1070099257.db2.gz QOZVNYSXQPJICK-CIAFOILYSA-N -1 0 689.300 5.496 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408874267 1070100729 /nfs/dbraw/zinc/10/07/29/1070100729.db2.gz ATBBDEDFUINBPU-WQRHYEAKSA-N -1 0 584.354 5.141 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Cc2ccccc2Br)C1=O ZINC000408874219 1070100825 /nfs/dbraw/zinc/10/08/25/1070100825.db2.gz AGWDVWQZSIVNIJ-CPNJWEJPSA-N -1 0 588.683 6.431 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408874144 1070100835 /nfs/dbraw/zinc/10/08/35/1070100835.db2.gz ZCRQUMIJLIPRTI-ZVHZXABRSA-N -1 0 594.449 5.872 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408874186 1070100855 /nfs/dbraw/zinc/10/08/55/1070100855.db2.gz ZUUKPCAXRJNXSM-OEAKJJBVSA-N -1 0 522.960 5.534 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408879837 1070104925 /nfs/dbraw/zinc/10/49/25/1070104925.db2.gz FQVMAIFTEVQVEL-XDHOZWIPSA-N -1 0 541.785 5.357 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(Cc2ccccc2Cl)c1 ZINC000408880185 1070105680 /nfs/dbraw/zinc/10/56/80/1070105680.db2.gz DVJMYSMRVACBRR-TURZUDJPSA-N -1 0 553.014 6.185 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cc1ccccc1Br ZINC000408880224 1070106479 /nfs/dbraw/zinc/10/64/79/1070106479.db2.gz GQVMNVMGVZLVDS-YBFXNURJSA-N -1 0 574.258 6.412 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408875831 1070108166 /nfs/dbraw/zinc/10/81/66/1070108166.db2.gz LRGKJWGDCAARIR-LICLKQGHSA-N -1 0 560.231 6.022 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408876317 1070109705 /nfs/dbraw/zinc/10/97/05/1070109705.db2.gz ONLHHQLXWAQGOM-BUVRLJJBSA-N -1 0 517.423 5.940 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408877481 1070111758 /nfs/dbraw/zinc/11/17/58/1070111758.db2.gz VHGBORUIKZJJBB-HMAPJEAMSA-N -1 0 558.993 6.585 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000408879005 1070116108 /nfs/dbraw/zinc/11/61/08/1070116108.db2.gz CEKSFJCJDWHVTC-ZHZULCJRSA-N -1 0 523.358 5.396 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408878937 1070116173 /nfs/dbraw/zinc/11/61/73/1070116173.db2.gz BUTDPWDNBXCAPM-WOJGMQOQSA-N -1 0 619.877 5.162 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408884277 1070118620 /nfs/dbraw/zinc/11/86/20/1070118620.db2.gz XOHJRAYCLAWEGF-CVKSISIWSA-N -1 0 631.910 6.947 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000408884490 1070119129 /nfs/dbraw/zinc/11/91/29/1070119129.db2.gz ZNJOLZICRZGCKQ-MHWRWJLKSA-N -1 0 606.775 5.338 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408885492 1070120877 /nfs/dbraw/zinc/12/08/77/1070120877.db2.gz AWCHYCZMOOGBGE-ZVHZXABRSA-N -1 0 593.474 6.109 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408882075 1070125068 /nfs/dbraw/zinc/12/50/68/1070125068.db2.gz PDEWFOXPUGTKAT-CIAFOILYSA-N -1 0 616.839 5.609 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408885780 1070121810 /nfs/dbraw/zinc/12/18/10/1070121810.db2.gz AOUXDURLJYATOP-LPYMAVHISA-N -1 0 535.394 5.320 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408880654 1070122496 /nfs/dbraw/zinc/12/24/96/1070122496.db2.gz GNMMRRMBPPQRDW-HYARGMPZSA-N -1 0 551.368 5.022 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408881393 1070124151 /nfs/dbraw/zinc/12/41/51/1070124151.db2.gz KXUUESLABREAFK-SFQUDFHCSA-N -1 0 546.204 6.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408883298 1070128612 /nfs/dbraw/zinc/12/86/12/1070128612.db2.gz QOMUWANGPABTOS-PDGQHHTCSA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408888244 1070129398 /nfs/dbraw/zinc/12/93/98/1070129398.db2.gz XUWTWXRUYLASOG-WOJGMQOQSA-N -1 0 604.284 6.708 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408882021 1070125177 /nfs/dbraw/zinc/12/51/77/1070125177.db2.gz OTFOXTAZKVYAPT-RGVLZGJSSA-N -1 0 539.813 5.677 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408882434 1070126073 /nfs/dbraw/zinc/12/60/73/1070126073.db2.gz OBGJNTCHMFNVLP-YDZHTSKRSA-N -1 0 533.422 5.640 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408882815 1070127597 /nfs/dbraw/zinc/12/75/97/1070127597.db2.gz RBWKHQUQJUOHKC-MFKUBSTISA-N -1 0 647.909 6.936 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408882840 1070127668 /nfs/dbraw/zinc/12/76/68/1070127668.db2.gz RDQWSHMEKLGBCV-YBFXNURJSA-N -1 0 541.785 5.357 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)c(C)c1 ZINC000408891378 1070134968 /nfs/dbraw/zinc/13/49/68/1070134968.db2.gz PQGQVFPHPLVLJU-DEDYPNTBSA-N -1 0 523.358 5.450 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408890574 1070133314 /nfs/dbraw/zinc/13/33/14/1070133314.db2.gz VVQQADYEVTXRCZ-GIJQJNRQSA-N -1 0 631.233 5.374 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)c1C ZINC000408891420 1070134794 /nfs/dbraw/zinc/13/47/94/1070134794.db2.gz QIDNXESCQRPBPY-UDWIEESQSA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Br ZINC000408891281 1070134941 /nfs/dbraw/zinc/13/49/41/1070134941.db2.gz OBBXRGFOWCXCAF-AQTBWJFISA-N -1 0 539.357 5.232 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408886826 1070137078 /nfs/dbraw/zinc/13/70/78/1070137078.db2.gz MLTDHINDXDVDSW-LPYMAVHISA-N -1 0 518.997 5.909 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408893570 1070139553 /nfs/dbraw/zinc/13/95/53/1070139553.db2.gz BEVOGHSIUKRUPP-JLPGSUDCSA-N -1 0 567.411 6.013 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408895327 1070145988 /nfs/dbraw/zinc/14/59/88/1070145988.db2.gz FDZWEPWAMZTVAD-MTJSOVHGSA-N -1 0 555.812 5.665 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408895310 1070146151 /nfs/dbraw/zinc/14/61/51/1070146151.db2.gz DYMRJEWMYXKKSE-USHMODERSA-N -1 0 564.638 6.581 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)cc1Cl ZINC000408894448 1070143578 /nfs/dbraw/zinc/14/35/78/1070143578.db2.gz ICRQYNLQYCHUEB-YBFXNURJSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895267 1070145247 /nfs/dbraw/zinc/14/52/47/1070145247.db2.gz DJCPVLKLVFZSGI-ODLFYWEKSA-N -1 0 711.328 5.113 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408893175 1070155137 /nfs/dbraw/zinc/15/51/37/1070155137.db2.gz FXRMWJSDXUKTOO-YBEGLDIGSA-N -1 0 559.775 5.496 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cc(C)cc(C)c3)c(OC)c2)C1=O ZINC000408899761 1070160084 /nfs/dbraw/zinc/16/00/84/1070160084.db2.gz QSGXUIFGNPJGHR-XKZIYDEJSA-N -1 0 563.448 5.882 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OC(C)C ZINC000408900199 1070161669 /nfs/dbraw/zinc/16/16/69/1070161669.db2.gz RWQJXHRNWAYDCW-SXGWCWSVSA-N -1 0 566.246 5.372 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408899706 1070159300 /nfs/dbraw/zinc/15/93/00/1070159300.db2.gz PZJSKPYXNYKKFX-JAIQZWGSSA-N -1 0 632.280 6.303 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408899655 1070159453 /nfs/dbraw/zinc/15/94/53/1070159453.db2.gz PRQGXWKEQPCNEJ-HAHDFKILSA-N -1 0 508.933 5.513 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408901092 1070166077 /nfs/dbraw/zinc/16/60/77/1070166077.db2.gz VKTIXZVVNUUNPR-JLPGSUDCSA-N -1 0 628.317 6.636 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408897191 1070171057 /nfs/dbraw/zinc/17/10/57/1070171057.db2.gz ICWGCPFIGHALAN-BKUYFWCQSA-N -1 0 599.865 6.145 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408897336 1070171609 /nfs/dbraw/zinc/17/16/09/1070171609.db2.gz MQKNVOONMQNRDI-GRSHGNNSSA-N -1 0 645.260 5.682 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408897567 1070172375 /nfs/dbraw/zinc/17/23/75/1070172375.db2.gz YGSBVINOJXSSAT-GIJQJNRQSA-N -1 0 608.247 6.539 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408896925 1070170082 /nfs/dbraw/zinc/17/00/82/1070170082.db2.gz UWWDHTVJRIXQDC-LICLKQGHSA-N -1 0 564.194 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408896886 1070170167 /nfs/dbraw/zinc/17/01/67/1070170167.db2.gz UNVKKCHKPSCTMV-TWKHWXDSSA-N -1 0 572.592 6.803 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408898684 1070175511 /nfs/dbraw/zinc/17/55/11/1070175511.db2.gz RGSMSKYZEAIKCX-JAIQZWGSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408898962 1070176743 /nfs/dbraw/zinc/17/67/43/1070176743.db2.gz NKVJITBGLSAHTD-HAHDFKILSA-N -1 0 539.415 6.418 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408898144 1070173982 /nfs/dbraw/zinc/17/39/82/1070173982.db2.gz UYGVLWWCRMSPFS-MTDXEUNCSA-N -1 0 598.633 5.017 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408912508 1070190170 /nfs/dbraw/zinc/19/01/70/1070190170.db2.gz HRMCNMGOTCVFFF-VXLYETTFSA-N -1 0 574.200 5.596 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408912973 1070195057 /nfs/dbraw/zinc/19/50/57/1070195057.db2.gz JCOHQCYHZVYZEF-OCKHKDLRSA-N -1 0 606.775 5.338 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408912984 1070197125 /nfs/dbraw/zinc/19/71/25/1070197125.db2.gz JFKNXCWJEIRGCW-UBKPWBPPSA-N -1 0 737.090 6.587 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408911762 1070205073 /nfs/dbraw/zinc/20/50/73/1070205073.db2.gz OMDPQSXRBMPHBP-FSJBWODESA-N -1 0 622.390 5.838 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408913698 1070211497 /nfs/dbraw/zinc/21/14/97/1070211497.db2.gz NCVXRXXFPVNCMF-VXLYETTFSA-N -1 0 573.802 5.886 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408916484 1070220452 /nfs/dbraw/zinc/22/04/52/1070220452.db2.gz DDZQKBDGBNVHED-GRSHGNNSSA-N -1 0 559.388 5.146 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408933567 1070266476 /nfs/dbraw/zinc/26/64/76/1070266476.db2.gz AVZCTXLZKHWGLE-GIJQJNRQSA-N -1 0 562.203 5.707 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c1 ZINC000408935351 1070273482 /nfs/dbraw/zinc/27/34/82/1070273482.db2.gz DCCQVXZYJSNQHG-CIAFOILYSA-N -1 0 505.914 5.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408935893 1070274542 /nfs/dbraw/zinc/27/45/42/1070274542.db2.gz FCAFWCACWYSIMX-BUVRLJJBSA-N -1 0 572.371 5.756 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408936943 1070278495 /nfs/dbraw/zinc/27/84/95/1070278495.db2.gz LMFDYWKRRJSTPE-WPWMEQJKSA-N -1 0 681.948 6.424 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408941173 1070288144 /nfs/dbraw/zinc/28/81/44/1070288144.db2.gz OTVINIBLGRKFPS-ZVHZXABRSA-N -1 0 571.973 6.046 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408941489 1070289289 /nfs/dbraw/zinc/28/92/89/1070289289.db2.gz WRWCQCNHLTWXJZ-VXLYETTFSA-N -1 0 517.752 5.598 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408941646 1070289829 /nfs/dbraw/zinc/28/98/29/1070289829.db2.gz XNJFOMCSEWVVTN-DICXZTSXSA-N -1 0 618.429 6.726 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1O ZINC000408937805 1070292695 /nfs/dbraw/zinc/29/26/95/1070292695.db2.gz OYOMAYBTWXGXDX-QGMBQPNBSA-N -1 0 639.229 5.558 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408938264 1070294505 /nfs/dbraw/zinc/29/45/05/1070294505.db2.gz PRXVKEGEAOORCW-WGOQTCKBSA-N -1 0 637.497 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408938447 1070294846 /nfs/dbraw/zinc/29/48/46/1070294846.db2.gz QSVDFIDFIPJKSV-DICXZTSXSA-N -1 0 607.877 7.471 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2Br)cc1 ZINC000408938654 1070295750 /nfs/dbraw/zinc/29/57/50/1070295750.db2.gz QUKXHMLBWQHMPX-PCLIKHOPSA-N -1 0 681.948 6.424 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408949806 1070306766 /nfs/dbraw/zinc/30/67/66/1070306766.db2.gz IWWGQZUQAIQOST-FSJBWODESA-N -1 0 615.436 5.975 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408942948 1070304153 /nfs/dbraw/zinc/30/41/53/1070304153.db2.gz RFFHSINUZFXGGE-UDWIEESQSA-N -1 0 556.756 5.256 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408943917 1070305517 /nfs/dbraw/zinc/30/55/17/1070305517.db2.gz SRQJLDFWYHNSCC-RGVLZGJSSA-N -1 0 556.358 5.546 40 10 KKCBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408949807 1070306468 /nfs/dbraw/zinc/30/64/68/1070306468.db2.gz IYLZXJNLZIWMFN-FOKLQQMPSA-N -1 0 535.040 5.882 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408947268 1070311206 /nfs/dbraw/zinc/31/12/06/1070311206.db2.gz BNKQASDHNDPIEU-QGMBQPNBSA-N -1 0 585.794 5.085 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408948189 1070312794 /nfs/dbraw/zinc/31/27/94/1070312794.db2.gz DZQLDYWYXHHFIM-ZMOGYAJESA-N -1 0 605.916 7.497 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408950418 1070308036 /nfs/dbraw/zinc/30/80/36/1070308036.db2.gz JZUBSCIMCHJOBR-CNHKJKLMSA-N -1 0 589.815 6.020 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408950410 1070308095 /nfs/dbraw/zinc/30/80/95/1070308095.db2.gz JWTPXXLYRDVQLU-PJQLUOCWSA-N -1 0 669.109 6.493 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408952444 1070314443 /nfs/dbraw/zinc/31/44/43/1070314443.db2.gz NVGKXVILECOFJI-IPPBACCNSA-N -1 0 737.034 8.057 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1Cc1ccccc1 ZINC000408952646 1070315264 /nfs/dbraw/zinc/31/52/64/1070315264.db2.gz OOLILLZDGIFXKF-OKCVXOCRSA-N -1 0 533.672 6.287 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408954746 1070318227 /nfs/dbraw/zinc/31/82/27/1070318227.db2.gz SKEXQIHSVHSNHE-IBBHUPRXSA-N -1 0 740.492 9.078 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)c1C)CCCC2 ZINC000408966433 1070325956 /nfs/dbraw/zinc/32/59/56/1070325956.db2.gz MSBHISRBYQZGFS-XDHOZWIPSA-N -1 0 586.110 5.835 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408969510 1070333992 /nfs/dbraw/zinc/33/39/92/1070333992.db2.gz PBRQUORTBZOYIZ-NHDPSOOVSA-N -1 0 529.998 6.171 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408981837 1070339468 /nfs/dbraw/zinc/33/94/68/1070339468.db2.gz CWVLNKUZKUFRCJ-XKZIYDEJSA-N -1 0 567.411 5.795 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408983643 1070343883 /nfs/dbraw/zinc/34/38/83/1070343883.db2.gz NAHOMEZMGDVERZ-QQXSKIMKSA-N -1 0 646.481 6.651 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Cl)c3)C2=O)cc1Cl ZINC000408982366 1070340544 /nfs/dbraw/zinc/34/05/44/1070340544.db2.gz GPVUHQDOEFPEMR-FMQZQXMHSA-N -1 0 559.789 5.929 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(I)c3)C2=O)cc1Cl ZINC000408982551 1070340918 /nfs/dbraw/zinc/34/09/18/1070340918.db2.gz HPBFVTOZCLWFBJ-ZDLGFXPLSA-N -1 0 607.231 6.152 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408983135 1070342343 /nfs/dbraw/zinc/34/23/43/1070342343.db2.gz KUYJNKNZZDGZHY-XKZIYDEJSA-N -1 0 614.411 5.637 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000408988354 1070348824 /nfs/dbraw/zinc/34/88/24/1070348824.db2.gz HROGEGMRTULIFN-GRSHGNNSSA-N -1 0 515.780 6.201 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 ZINC000408985059 1070345209 /nfs/dbraw/zinc/34/52/09/1070345209.db2.gz UTWKOLKXOLBRNF-JAIQZWGSSA-N -1 0 513.352 5.940 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408986835 1070348874 /nfs/dbraw/zinc/34/88/74/1070348874.db2.gz NJLLUISSHSOQRJ-RGVLZGJSSA-N -1 0 573.818 5.635 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408985301 1070345664 /nfs/dbraw/zinc/34/56/64/1070345664.db2.gz WKIUUPLSPWKMDU-CFRMEGHHSA-N -1 0 619.899 7.208 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408986146 1070347786 /nfs/dbraw/zinc/34/77/86/1070347786.db2.gz LUCGPFJXYSINSF-BKUYFWCQSA-N -1 0 539.415 6.200 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(OC)c3)C2=O)cc1 ZINC000408986161 1070347948 /nfs/dbraw/zinc/34/79/48/1070347948.db2.gz ZVRDOSNADBEAFW-MTJSOVHGSA-N -1 0 661.290 5.870 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408987420 1070350011 /nfs/dbraw/zinc/35/00/11/1070350011.db2.gz AZZSWQTYRQYNFM-FGKIGFKSSA-N -1 0 697.820 6.483 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1Cl ZINC000408988133 1070351715 /nfs/dbraw/zinc/35/17/15/1070351715.db2.gz HAYOZXITUKSUDA-JAIQZWGSSA-N -1 0 604.682 6.419 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408984576 1070352574 /nfs/dbraw/zinc/35/25/74/1070352574.db2.gz RYKXJPMKRKWMRZ-GRSHGNNSSA-N -1 0 651.284 6.551 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=S)N(c6cc(C)cc(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408988668 1070360741 /nfs/dbraw/zinc/36/07/41/1070360741.db2.gz FMEIDWXTKOFXFU-MFKUBSTISA-N -1 0 679.805 7.365 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409021806 1070398474 /nfs/dbraw/zinc/39/84/74/1070398474.db2.gz ZIILSQUSWOWUOT-IPPBACCNSA-N -1 0 553.703 6.532 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1 ZINC000409041122 1070431203 /nfs/dbraw/zinc/43/12/03/1070431203.db2.gz IKRVDIOMACMSCI-UDWIEESQSA-N -1 0 618.253 5.995 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409043722 1070450200 /nfs/dbraw/zinc/45/02/00/1070450200.db2.gz ADEQXLJGPLBXLX-XDHOZWIPSA-N -1 0 659.864 5.336 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 ZINC000409044040 1070450819 /nfs/dbraw/zinc/45/08/19/1070450819.db2.gz GJWUCMBPMKRAFN-VCHYOVAHSA-N -1 0 610.269 5.498 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1 ZINC000409044430 1070451760 /nfs/dbraw/zinc/45/17/60/1070451760.db2.gz CCEPIAWXEPFAGE-RGVLZGJSSA-N -1 0 515.324 5.387 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)C1=O ZINC000409044775 1070452268 /nfs/dbraw/zinc/45/22/68/1070452268.db2.gz DGEUTJOGJAHKJM-DJKKODMXSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409044834 1070452326 /nfs/dbraw/zinc/45/23/26/1070452326.db2.gz CTTXJSBOOXCQEK-DJKKODMXSA-N -1 0 546.750 5.800 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1C ZINC000409045027 1070453094 /nfs/dbraw/zinc/45/30/94/1070453094.db2.gz XNEQSKYQQPECHV-RGVLZGJSSA-N -1 0 618.709 6.727 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409043070 1070448932 /nfs/dbraw/zinc/44/89/32/1070448932.db2.gz PMVHRXAAYHMYTI-DJKKODMXSA-N -1 0 519.743 6.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409047577 1070459183 /nfs/dbraw/zinc/45/91/83/1070459183.db2.gz ONODBRNHLCJFAU-GIJQJNRQSA-N -1 0 590.199 5.302 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064173 1070479635 /nfs/dbraw/zinc/47/96/35/1070479635.db2.gz BZFHJHBLOUQVCZ-VXLYETTFSA-N -1 0 595.844 5.480 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409074433 1070486645 /nfs/dbraw/zinc/48/66/45/1070486645.db2.gz ZLGUHYNYOBCOPZ-LDADJPATSA-N -1 0 565.818 5.389 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409070269 1070495756 /nfs/dbraw/zinc/49/57/56/1070495756.db2.gz FFNJQXYOMPWVBI-GDNBJRDFSA-N -1 0 503.363 5.102 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073115 1070499787 /nfs/dbraw/zinc/49/97/87/1070499787.db2.gz OYPQZABYMQWTNY-XDHOZWIPSA-N -1 0 596.242 5.190 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073654 1070500416 /nfs/dbraw/zinc/50/04/16/1070500416.db2.gz WSTDCIDNBBIHDM-GIJQJNRQSA-N -1 0 687.295 5.349 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000409079977 1070501525 /nfs/dbraw/zinc/50/15/25/1070501525.db2.gz HEMJVRRHEYHNBS-YVLHZVERSA-N -1 0 668.200 5.280 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl ZINC000409083358 1070508297 /nfs/dbraw/zinc/50/82/97/1070508297.db2.gz VFYRXTCEIUHTGM-LZYBPNLTSA-N -1 0 624.753 6.797 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089325 1070523245 /nfs/dbraw/zinc/52/32/45/1070523245.db2.gz INBIXZMMCYUISN-RQZCQDPDSA-N -1 0 701.779 6.729 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088102 1070521728 /nfs/dbraw/zinc/52/17/28/1070521728.db2.gz FKFSVADSQMFFQZ-FRKPEAEDSA-N -1 0 610.328 6.696 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409089721 1070523764 /nfs/dbraw/zinc/52/37/64/1070523764.db2.gz JPUWMWVPHCYPCM-WJDWOHSUSA-N -1 0 531.830 5.726 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091341 1070526367 /nfs/dbraw/zinc/52/63/67/1070526367.db2.gz STGMKMDDNOKRKW-LZYBPNLTSA-N -1 0 561.265 5.408 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409095592 1070529195 /nfs/dbraw/zinc/52/91/95/1070529195.db2.gz HZGPIVYCIXFTAC-LICLKQGHSA-N -1 0 518.853 6.194 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409098442 1070531418 /nfs/dbraw/zinc/53/14/18/1070531418.db2.gz LOYMPCKCFULMDL-OEAKJJBVSA-N -1 0 588.045 5.983 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409129298 1070556077 /nfs/dbraw/zinc/55/60/77/1070556077.db2.gz JGBHFXBPXKVAST-YDZHTSKRSA-N -1 0 688.490 5.867 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)c(Cl)c1 ZINC000409142021 1070565088 /nfs/dbraw/zinc/56/50/88/1070565088.db2.gz AHDUYBZPOBLBRK-ZMOGYAJESA-N -1 0 645.000 6.591 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409145300 1070573220 /nfs/dbraw/zinc/57/32/20/1070573220.db2.gz QAJWSXPQWLQWGT-WSDLNYQXSA-N -1 0 534.468 6.445 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12 ZINC000409146153 1070573946 /nfs/dbraw/zinc/57/39/46/1070573946.db2.gz QZQSHKWVERIRJU-RGVLZGJSSA-N -1 0 566.814 5.907 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4OC)C3=O)c1C)CCCC2 ZINC000409173559 1070588820 /nfs/dbraw/zinc/58/88/20/1070588820.db2.gz LWNGOJLSFRKDQP-HMMYKYKNSA-N -1 0 563.701 5.051 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000409171620 1070587244 /nfs/dbraw/zinc/58/72/44/1070587244.db2.gz BDRVTXRFRVAYAX-XNTDXEJSSA-N -1 0 549.855 5.687 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)C2=O)cc1OCC ZINC000409190739 1070607725 /nfs/dbraw/zinc/60/77/25/1070607725.db2.gz VUIXGMYRENEOOZ-LICLKQGHSA-N -1 0 521.397 5.242 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1OCC ZINC000409195977 1070615693 /nfs/dbraw/zinc/61/56/93/1070615693.db2.gz XTUVWVRROGDFFB-HYARGMPZSA-N -1 0 601.458 6.561 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409217552 1070640168 /nfs/dbraw/zinc/64/01/68/1070640168.db2.gz DEPXFGJRJMZXSI-LFVJCYFKSA-N -1 0 622.074 5.610 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc(Br)c1OC(C)C ZINC000409221530 1070648563 /nfs/dbraw/zinc/64/85/63/1070648563.db2.gz RPIKSGXXYQVTKN-NTEUORMPSA-N -1 0 523.836 5.120 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409244660 1070661990 /nfs/dbraw/zinc/66/19/90/1070661990.db2.gz GXXXIHFDFGOABY-CPNJWEJPSA-N -1 0 506.414 5.828 40 10 KKCBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)cc1 ZINC000409243170 1070671374 /nfs/dbraw/zinc/67/13/74/1070671374.db2.gz ZLHMNABUQHKBMH-YDZHTSKRSA-N -1 0 519.548 5.848 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409254588 1070672684 /nfs/dbraw/zinc/67/26/84/1070672684.db2.gz ZQZGTJSBHBDBHQ-LPYMAVHISA-N -1 0 626.493 6.173 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409258306 1070679680 /nfs/dbraw/zinc/67/96/80/1070679680.db2.gz WDOALABGRZLWLL-UCQKPKSFSA-N -1 0 739.804 7.128 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409253373 1070686241 /nfs/dbraw/zinc/68/62/41/1070686241.db2.gz FVLJHMKDMDUFDX-YUMHPJSZSA-N -1 0 640.092 6.228 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409252042 1070682520 /nfs/dbraw/zinc/68/25/20/1070682520.db2.gz BINBPWNRVGWYIG-UUYOSTAYSA-N -1 0 606.473 5.375 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1Cl ZINC000409267454 1070692612 /nfs/dbraw/zinc/69/26/12/1070692612.db2.gz VRHGDSSKQUCAEO-IUXPMGMMSA-N -1 0 637.701 6.402 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409269663 1070704311 /nfs/dbraw/zinc/70/43/11/1070704311.db2.gz LHOIYGCRRIXRFY-JAIQZWGSSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c(C)c1 ZINC000409270981 1070707394 /nfs/dbraw/zinc/70/73/94/1070707394.db2.gz JBJXSOLQPKNOJP-GRSHGNNSSA-N -1 0 583.384 5.202 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408879721 1070792397 /nfs/dbraw/zinc/79/23/97/1070792397.db2.gz FBJDPKSUHOVVDK-GZTJUZNOSA-N -1 0 634.708 6.509 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408880341 1070789425 /nfs/dbraw/zinc/78/94/25/1070789425.db2.gz JKFIINMAYUAUKQ-WGOQTCKBSA-N -1 0 555.428 6.465 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408880158 1070790088 /nfs/dbraw/zinc/79/00/88/1070790088.db2.gz DRWUYIJGNKKHKN-UYRXBGFRSA-N -1 0 509.331 5.142 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408880978 1070785056 /nfs/dbraw/zinc/78/50/56/1070785056.db2.gz JROGZHCRZMSXPP-MOSHPQCFSA-N -1 0 583.866 6.309 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Br ZINC000408879527 1070793173 /nfs/dbraw/zinc/79/31/73/1070793173.db2.gz GTRBUCWLAOTIKW-YZSQISJMSA-N -1 0 662.334 7.036 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408879754 1070793200 /nfs/dbraw/zinc/79/32/00/1070793200.db2.gz CZYGBGYUOMZNNR-HYARGMPZSA-N -1 0 535.394 5.114 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Cl)c3)C2=O)c1C ZINC000408879470 1070793298 /nfs/dbraw/zinc/79/32/98/1070793298.db2.gz GIYLFBRNTALOPT-UDWIEESQSA-N -1 0 523.814 5.977 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408879519 1070793342 /nfs/dbraw/zinc/79/33/42/1070793342.db2.gz GQTGIUFSRZYQDB-PCLIKHOPSA-N -1 0 556.977 6.304 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408879435 1070794740 /nfs/dbraw/zinc/79/47/40/1070794740.db2.gz GETIFZIEIRCHLG-ZDLGFXPLSA-N -1 0 517.821 6.057 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000408879416 1070794804 /nfs/dbraw/zinc/79/48/04/1070794804.db2.gz GCAMIQDTOULCDM-XQNSMLJCSA-N -1 0 561.015 5.544 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408879284 1070795467 /nfs/dbraw/zinc/79/54/67/1070795467.db2.gz CUAFPHJHNUHYQO-JVWAILMASA-N -1 0 692.937 7.180 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408878963 1070797496 /nfs/dbraw/zinc/79/74/96/1070797496.db2.gz BZSLYSIHLQLLOF-NDENLUEZSA-N -1 0 555.425 5.397 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408878606 1070798714 /nfs/dbraw/zinc/79/87/14/1070798714.db2.gz AYMRDWLIKTVDJQ-YBFXNURJSA-N -1 0 529.749 5.487 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408878334 1070799175 /nfs/dbraw/zinc/79/91/75/1070799175.db2.gz ANYRZRJXVSNSGI-YDZHTSKRSA-N -1 0 610.448 5.724 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408877570 1070804900 /nfs/dbraw/zinc/80/49/00/1070804900.db2.gz SKWMOXJZJIUBJL-YBFXNURJSA-N -1 0 572.786 5.210 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(Br)c3)C2=O)c1 ZINC000408877457 1070807935 /nfs/dbraw/zinc/80/79/35/1070807935.db2.gz VZQXFXPHPNKHGV-UDWIEESQSA-N -1 0 509.787 5.668 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000408877318 1070808266 /nfs/dbraw/zinc/80/82/66/1070808266.db2.gz UQSHNGZLUOLWSJ-BKUYFWCQSA-N -1 0 596.421 5.416 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408888837 1070810188 /nfs/dbraw/zinc/81/01/88/1070810188.db2.gz BPRYHVOYWAOCJU-DJKKODMXSA-N -1 0 604.284 6.627 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408888823 1070810368 /nfs/dbraw/zinc/81/03/68/1070810368.db2.gz BIIDTIOKEFIHFB-YDZHTSKRSA-N -1 0 534.996 5.610 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408888830 1070810430 /nfs/dbraw/zinc/81/04/30/1070810430.db2.gz BKJLTEHAOZEMKO-SRZZPIQSSA-N -1 0 616.839 5.815 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408887795 1070818075 /nfs/dbraw/zinc/81/80/75/1070818075.db2.gz QWVMFELTVMWSFG-UDWIEESQSA-N -1 0 614.290 6.164 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408888323 1070815933 /nfs/dbraw/zinc/81/59/33/1070815933.db2.gz ZCERIZGUVTYVDE-VXLYETTFSA-N -1 0 573.802 5.886 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C1=O ZINC000408888364 1070816092 /nfs/dbraw/zinc/81/60/92/1070816092.db2.gz UTVVEYYYGRSDDA-UYRXBGFRSA-N -1 0 539.813 5.910 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408888057 1070816748 /nfs/dbraw/zinc/81/67/48/1070816748.db2.gz WFAJVYDHRITJLE-GIJQJNRQSA-N -1 0 515.324 5.387 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408887665 1070818724 /nfs/dbraw/zinc/81/87/24/1070818724.db2.gz SIUHSHZHOOGKFX-CIAFOILYSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408897200 1070823494 /nfs/dbraw/zinc/82/34/94/1070823494.db2.gz IEBYKZYSYKIOBH-XYGWBWBKSA-N -1 0 555.428 6.465 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408897203 1070823786 /nfs/dbraw/zinc/82/37/86/1070823786.db2.gz QQTSXZXPGRVJPO-GIJQJNRQSA-N -1 0 573.802 5.804 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408897050 1070825661 /nfs/dbraw/zinc/82/56/61/1070825661.db2.gz QAEOYHMUVWHKBJ-YBFXNURJSA-N -1 0 571.811 5.452 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408896863 1070826290 /nfs/dbraw/zinc/82/62/90/1070826290.db2.gz UIKDMIXSKSWUPR-UDWIEESQSA-N -1 0 525.388 5.946 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)c(C)c1 ZINC000408896858 1070826507 /nfs/dbraw/zinc/82/65/07/1070826507.db2.gz UHWRXTWOSQSSIJ-WPWMEQJKSA-N -1 0 504.586 6.319 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408896677 1070831086 /nfs/dbraw/zinc/83/10/86/1070831086.db2.gz HGLBPLMBGBOSIQ-HAHDFKILSA-N -1 0 690.512 5.221 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)c1 ZINC000408896673 1070831145 /nfs/dbraw/zinc/83/11/45/1070831145.db2.gz HDOQCIDDKLLKAX-MFKUBSTISA-N -1 0 545.422 7.009 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408896353 1070834209 /nfs/dbraw/zinc/83/42/09/1070834209.db2.gz KOXGZCJSKMBSAG-JAIQZWGSSA-N -1 0 614.836 5.963 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)C1=O ZINC000408895831 1070839027 /nfs/dbraw/zinc/83/90/27/1070839027.db2.gz FUMMMBYZCWLDBT-UNOMPAQXSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408895741 1070841813 /nfs/dbraw/zinc/84/18/13/1070841813.db2.gz FKZRXYJOYXYSRA-UQQQWYQISA-N -1 0 559.575 5.418 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408895795 1070842362 /nfs/dbraw/zinc/84/23/62/1070842362.db2.gz LYGOHRYFVGVNRG-UDWIEESQSA-N -1 0 583.866 6.363 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408895787 1070842659 /nfs/dbraw/zinc/84/26/59/1070842659.db2.gz FRKGYLPXSWFOOU-MTJSOVHGSA-N -1 0 604.284 6.790 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000408895389 1070844359 /nfs/dbraw/zinc/84/43/59/1070844359.db2.gz HJRMAIIAJSWURY-WQRHYEAKSA-N -1 0 639.127 7.072 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408895476 1070845074 /nfs/dbraw/zinc/84/50/74/1070845074.db2.gz HVKPDFCUXPRKKA-JAIQZWGSSA-N -1 0 695.735 6.660 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408895292 1070847308 /nfs/dbraw/zinc/84/73/08/1070847308.db2.gz DSAOONOZZJLGKT-UCQKPKSFSA-N -1 0 569.441 6.426 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408895306 1070847358 /nfs/dbraw/zinc/84/73/58/1070847358.db2.gz DWFPKQAEKOEPES-JLPGSUDCSA-N -1 0 545.548 5.028 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895163 1070848674 /nfs/dbraw/zinc/84/86/74/1070848674.db2.gz MHTFDFDVLAFWNV-VXLYETTFSA-N -1 0 619.877 5.162 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408894819 1070850202 /nfs/dbraw/zinc/85/02/02/1070850202.db2.gz JBTWSTWEIBNOJK-XDHOZWIPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000408894657 1070850859 /nfs/dbraw/zinc/85/08/59/1070850859.db2.gz KCGYZFUDGOPNGA-HMAPJEAMSA-N -1 0 521.436 5.476 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409335416 1070855836 /nfs/dbraw/zinc/85/58/36/1070855836.db2.gz ZUZLBWSHYAEKHI-MLPAPPSSSA-N -1 0 633.192 6.026 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408894730 1070851864 /nfs/dbraw/zinc/85/18/64/1070851864.db2.gz JAEXVPSCDXSVAH-KGENOOAVSA-N -1 0 584.264 6.019 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408894735 1070852270 /nfs/dbraw/zinc/85/22/70/1070852270.db2.gz FMIPLXMQPYLENR-NVMNQCDNSA-N -1 0 730.180 7.313 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)ccc1Br ZINC000408894376 1070854458 /nfs/dbraw/zinc/85/44/58/1070854458.db2.gz CGLRQTHNFJCOON-VEILYXNESA-N -1 0 591.461 7.309 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408893554 1070863765 /nfs/dbraw/zinc/86/37/65/1070863765.db2.gz GUKLSUOUQSKGHY-KEBDBYFISA-N -1 0 543.378 6.085 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408894128 1070858584 /nfs/dbraw/zinc/85/85/84/1070858584.db2.gz DQAPQTWSTKLWJG-JAIQZWGSSA-N -1 0 632.280 6.303 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Br)cc1 ZINC000408893649 1070861374 /nfs/dbraw/zinc/86/13/74/1070861374.db2.gz CKPCZIUATQXMOJ-NDENLUEZSA-N -1 0 584.264 6.074 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 ZINC000408893634 1070861417 /nfs/dbraw/zinc/86/14/17/1070861417.db2.gz BIVTWJLAPRKNEM-IWIPYMOSSA-N -1 0 563.448 6.100 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408893499 1070862637 /nfs/dbraw/zinc/86/26/37/1070862637.db2.gz AUSKHQRSHOBVFX-BKUYFWCQSA-N -1 0 599.865 6.145 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409348268 1070865294 /nfs/dbraw/zinc/86/52/94/1070865294.db2.gz RURBJIIVQXEKDC-NHDPSOOVSA-N -1 0 544.510 6.604 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408893424 1070865284 /nfs/dbraw/zinc/86/52/84/1070865284.db2.gz AKIJIJZPGSIDPU-UCQKPKSFSA-N -1 0 552.986 5.912 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408893321 1070867119 /nfs/dbraw/zinc/86/71/19/1070867119.db2.gz DVJIZDHHLVHIRT-UDWIEESQSA-N -1 0 613.848 5.533 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408892573 1070871895 /nfs/dbraw/zinc/87/18/95/1070871895.db2.gz CQEAOAFMNWWTKS-YBFXNURJSA-N -1 0 616.262 5.561 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409351249 1070869900 /nfs/dbraw/zinc/86/99/00/1070869900.db2.gz ZYBUAUQDMISASR-CIAFOILYSA-N -1 0 574.105 5.364 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408892472 1070870947 /nfs/dbraw/zinc/87/09/47/1070870947.db2.gz BUGJDSAPGXPOLF-BKUYFWCQSA-N -1 0 614.411 5.637 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408892198 1070873549 /nfs/dbraw/zinc/87/35/49/1070873549.db2.gz XUCVSTJTBYQFHP-BOPFTXTBSA-N -1 0 618.253 5.995 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891125 1070880645 /nfs/dbraw/zinc/88/06/45/1070880645.db2.gz LVMCNLGBSATEGG-LPYMAVHISA-N -1 0 563.448 6.018 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408891959 1070874916 /nfs/dbraw/zinc/87/49/16/1070874916.db2.gz WJUNULGOQJSOKN-LICLKQGHSA-N -1 0 536.198 6.546 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409345166 1070876188 /nfs/dbraw/zinc/87/61/88/1070876188.db2.gz KOFZWAVVEBGIHX-OEAKJJBVSA-N -1 0 611.564 6.798 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891835 1070876421 /nfs/dbraw/zinc/87/64/21/1070876421.db2.gz VZHGCYNMBXUSJQ-BOPFTXTBSA-N -1 0 665.253 5.837 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361853 1070878700 /nfs/dbraw/zinc/87/87/00/1070878700.db2.gz DNGMFPGMNFTNSV-DJKKODMXSA-N -1 0 572.376 5.133 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408891270 1070879346 /nfs/dbraw/zinc/87/93/46/1070879346.db2.gz NVNHDFNSYBFSPS-VXLYETTFSA-N -1 0 529.749 5.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408890619 1070881947 /nfs/dbraw/zinc/88/19/47/1070881947.db2.gz WOVGZPAXPWZBLL-LDADJPATSA-N -1 0 529.749 5.487 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000408889364 1070889553 /nfs/dbraw/zinc/88/95/53/1070889553.db2.gz DALYAKYHZJGBRZ-RDRPBHBLSA-N -1 0 567.041 6.781 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408890079 1070885898 /nfs/dbraw/zinc/88/58/98/1070885898.db2.gz NLRSRZPOLQSTSE-MTDXEUNCSA-N -1 0 566.585 6.049 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1Br ZINC000408889808 1070887049 /nfs/dbraw/zinc/88/70/49/1070887049.db2.gz JHJFJKCLJGRRRF-UDWIEESQSA-N -1 0 566.364 5.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000408889507 1070888630 /nfs/dbraw/zinc/88/86/30/1070888630.db2.gz DILWCZCPLGWDDN-LICLKQGHSA-N -1 0 519.743 6.031 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408889526 1070888726 /nfs/dbraw/zinc/88/87/26/1070888726.db2.gz DQNBVQRWEXKZJC-OVVQPSECSA-N -1 0 603.052 5.662 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408889537 1070889157 /nfs/dbraw/zinc/88/91/57/1070889157.db2.gz DVSRYAXUOMWRDJ-CXUHLZMHSA-N -1 0 580.649 6.655 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)cc1 ZINC000409369880 1070893180 /nfs/dbraw/zinc/89/31/80/1070893180.db2.gz GVHSYRISLFNQNN-ODLFYWEKSA-N -1 0 584.412 5.003 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409372606 1070896148 /nfs/dbraw/zinc/89/61/48/1070896148.db2.gz MJHFPVPTYBMTGU-REZTVBANSA-N -1 0 580.218 5.599 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(CC)cc4)C3=O)c1C)CCCC2 ZINC000409382367 1070899677 /nfs/dbraw/zinc/89/96/77/1070899677.db2.gz KSUSUMPJTQHEOR-XQNSMLJCSA-N -1 0 561.729 5.605 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409382425 1070899958 /nfs/dbraw/zinc/89/99/58/1070899958.db2.gz MEVFLONXSCUUFY-FYJGNVAPSA-N -1 0 586.426 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409374422 1070897509 /nfs/dbraw/zinc/89/75/09/1070897509.db2.gz PDTGKJOHHWVRIE-YDZHTSKRSA-N -1 0 575.415 5.835 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408889153 1070890515 /nfs/dbraw/zinc/89/05/15/1070890515.db2.gz FEEMTOOZPPGEBK-PXLXIMEGSA-N -1 0 593.430 5.270 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000408903715 1070901363 /nfs/dbraw/zinc/90/13/63/1070901363.db2.gz XEOJDAQAMRGMOS-VZWMTCDZSA-N -1 0 613.246 5.296 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408903786 1070901944 /nfs/dbraw/zinc/90/19/44/1070901944.db2.gz ZAUIGPJEPRDCML-VZWMTCDZSA-N -1 0 521.795 5.345 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408902596 1070909857 /nfs/dbraw/zinc/90/98/57/1070909857.db2.gz KUFOCJTVEXNWFJ-UDWIEESQSA-N -1 0 690.288 5.136 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)cc1 ZINC000409378770 1070905327 /nfs/dbraw/zinc/90/53/27/1070905327.db2.gz RNGGNHAMSDUUBW-HYARGMPZSA-N -1 0 566.433 5.330 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408901573 1070919023 /nfs/dbraw/zinc/91/90/23/1070919023.db2.gz YXDWFYYGMSCHCR-WQRHYEAKSA-N -1 0 594.676 6.963 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409388182 1070910513 /nfs/dbraw/zinc/91/05/13/1070910513.db2.gz UQGQDULYIKKVHK-UQQQWYQISA-N -1 0 656.489 5.721 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409400881 1070915661 /nfs/dbraw/zinc/91/56/61/1070915661.db2.gz UUHJUOHDIYCIEO-ZDLGFXPLSA-N -1 0 518.194 5.796 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408901687 1070917433 /nfs/dbraw/zinc/91/74/33/1070917433.db2.gz ZPJQUTCHLSOWQT-UCQKPKSFSA-N -1 0 569.441 6.426 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408901554 1070918794 /nfs/dbraw/zinc/91/87/94/1070918794.db2.gz YSFJUIYNZCEXIE-KQWNVCNZSA-N -1 0 534.996 5.773 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408901548 1070918884 /nfs/dbraw/zinc/91/88/84/1070918884.db2.gz YQZZCJNAEDKJAZ-XKZIYDEJSA-N -1 0 583.410 5.631 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408901403 1070920338 /nfs/dbraw/zinc/92/03/38/1070920338.db2.gz XTXYYMZYYXKTEU-OYKKKHCWSA-N -1 0 593.474 6.109 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408901421 1070920478 /nfs/dbraw/zinc/92/04/78/1070920478.db2.gz XXOQFDGSNDOXSN-UCQKPKSFSA-N -1 0 597.437 6.021 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408901423 1070920637 /nfs/dbraw/zinc/92/06/37/1070920637.db2.gz XXUWZDZKYBISQS-ITYLOYPMSA-N -1 0 585.454 6.637 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OC(C)C ZINC000408901399 1070920748 /nfs/dbraw/zinc/92/07/48/1070920748.db2.gz XTECPJRVTMDXJD-SXGWCWSVSA-N -1 0 566.246 5.372 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408901454 1070921336 /nfs/dbraw/zinc/92/13/36/1070921336.db2.gz YHABVZUHXAQMHV-HMAPJEAMSA-N -1 0 644.437 5.863 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408901349 1070923515 /nfs/dbraw/zinc/92/35/15/1070923515.db2.gz XKGPHAADTHKGMI-JLPGSUDCSA-N -1 0 593.474 6.272 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408901085 1070923547 /nfs/dbraw/zinc/92/35/47/1070923547.db2.gz VJFKGWGYZUHVTR-USHMODERSA-N -1 0 520.585 6.182 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408901120 1070924317 /nfs/dbraw/zinc/92/43/17/1070924317.db2.gz VWUWHPGWFPADII-ULJHMMPZSA-N -1 0 549.023 6.163 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408901134 1070924371 /nfs/dbraw/zinc/92/43/71/1070924371.db2.gz WEWGGAHGRKLZMR-ODLFYWEKSA-N -1 0 740.186 6.769 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408901174 1070924967 /nfs/dbraw/zinc/92/49/67/1070924967.db2.gz WPULHQCXEAHPHD-IWIPYMOSSA-N -1 0 640.474 6.033 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408901142 1070925199 /nfs/dbraw/zinc/92/51/99/1070925199.db2.gz WGHMLJZANHSMCR-HAHDFKILSA-N -1 0 599.061 5.270 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408900438 1070933761 /nfs/dbraw/zinc/93/37/61/1070933761.db2.gz SNCWHACHHFQBJA-NDENLUEZSA-N -1 0 633.904 5.552 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)ccc1Br ZINC000408900721 1070929318 /nfs/dbraw/zinc/92/93/18/1070929318.db2.gz UCMHLJYOCFHEKA-MOSHPQCFSA-N -1 0 570.237 5.765 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408900723 1070929420 /nfs/dbraw/zinc/92/94/20/1070929420.db2.gz UDTJMULRAMSWTN-IWIPYMOSSA-N -1 0 640.474 6.033 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408900727 1070929504 /nfs/dbraw/zinc/92/95/04/1070929504.db2.gz UFAZHKXNDMQLPM-UCQKPKSFSA-N -1 0 579.447 5.800 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408900742 1070930106 /nfs/dbraw/zinc/93/01/06/1070930106.db2.gz UJNMFCNKXRNGOE-JAIQZWGSSA-N -1 0 681.310 6.641 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408900527 1070931547 /nfs/dbraw/zinc/93/15/47/1070931547.db2.gz VTKHARKUXRAUIY-YZSQISJMSA-N -1 0 617.883 6.927 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408900377 1070932874 /nfs/dbraw/zinc/93/28/74/1070932874.db2.gz SGDLFJCLNQMYIC-QRVIBDJDSA-N -1 0 650.323 6.927 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408900418 1070933632 /nfs/dbraw/zinc/93/36/32/1070933632.db2.gz VQLCQCIOWQALOS-CXUHLZMHSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408900141 1070937969 /nfs/dbraw/zinc/93/79/69/1070937969.db2.gz RRJPJBIWNCYNEY-WSDLNYQXSA-N -1 0 657.436 5.130 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408900126 1070938075 /nfs/dbraw/zinc/93/80/75/1070938075.db2.gz RQVZGFMZCQZWHI-NDENLUEZSA-N -1 0 559.833 6.681 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408900204 1070935292 /nfs/dbraw/zinc/93/52/92/1070935292.db2.gz RYDDJSTWEZPHDY-DIBXZPPDSA-N -1 0 599.481 7.027 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408900003 1070940300 /nfs/dbraw/zinc/94/03/00/1070940300.db2.gz QXUWTPMDTZKKDH-CIAFOILYSA-N -1 0 568.413 5.384 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccccc2Br)c1 ZINC000408899330 1070945073 /nfs/dbraw/zinc/94/50/73/1070945073.db2.gz OMFJQHDWZKGEHP-NDENLUEZSA-N -1 0 600.263 5.774 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408899342 1070945135 /nfs/dbraw/zinc/94/51/35/1070945135.db2.gz OOFHEYUXODUEMC-ODLFYWEKSA-N -1 0 664.328 5.271 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408899326 1070945150 /nfs/dbraw/zinc/94/51/50/1070945150.db2.gz OLGLIVCLJQLCLM-IMRQLAEWSA-N -1 0 551.555 5.782 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408899417 1070946520 /nfs/dbraw/zinc/94/65/20/1070946520.db2.gz PCFXPJZHLVWVQR-ONUIUJJFSA-N -1 0 514.578 5.428 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408899238 1070947119 /nfs/dbraw/zinc/94/71/19/1070947119.db2.gz OIHDYTOZKWHSFC-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408898746 1070952095 /nfs/dbraw/zinc/95/20/95/1070952095.db2.gz MLDBCWQPDLXIDQ-XKZIYDEJSA-N -1 0 691.316 6.097 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408898796 1070952659 /nfs/dbraw/zinc/95/26/59/1070952659.db2.gz MRYGUKAVDBNYKD-MTJSOVHGSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408899285 1070947658 /nfs/dbraw/zinc/94/76/58/1070947658.db2.gz NZESDHCOLDKXIS-NHDPSOOVSA-N -1 0 583.866 6.282 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000408898892 1070949966 /nfs/dbraw/zinc/94/99/66/1070949966.db2.gz YEFXBWMQRYWTTE-XDHOZWIPSA-N -1 0 529.749 5.487 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408898949 1070950453 /nfs/dbraw/zinc/95/04/53/1070950453.db2.gz NIVVRHJDPNQSKK-ONUIUJJFSA-N -1 0 599.481 6.945 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408898977 1070951295 /nfs/dbraw/zinc/95/12/95/1070951295.db2.gz NOJMAIBRWWUPOU-UQQQWYQISA-N -1 0 518.997 6.073 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(Cl)c3)C2=O)ccc1Br ZINC000408898827 1070953479 /nfs/dbraw/zinc/95/34/79/1070953479.db2.gz MUKKMYVEBBLSKJ-MOSHPQCFSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408898309 1070956699 /nfs/dbraw/zinc/95/66/99/1070956699.db2.gz KUKQEJAWKZOABU-IWIPYMOSSA-N -1 0 583.468 6.816 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408898367 1070957444 /nfs/dbraw/zinc/95/74/44/1070957444.db2.gz LSDXQOQORNFILQ-ONUIUJJFSA-N -1 0 528.605 5.736 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Cl)c3)C2=O)ccc1Br ZINC000408898025 1070960920 /nfs/dbraw/zinc/96/09/20/1070960920.db2.gz KPUOFVYWXDQNHX-UCQKPKSFSA-N -1 0 589.873 7.118 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408897885 1070962124 /nfs/dbraw/zinc/96/21/24/1070962124.db2.gz JLDJVSRDDWARJC-GRSHGNNSSA-N -1 0 634.708 6.427 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)cc3)C2=O)cc1 ZINC000408897964 1070963004 /nfs/dbraw/zinc/96/30/04/1070963004.db2.gz JWMCKKSUCDWQBQ-BRPDVVIDSA-N -1 0 534.612 6.573 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000408897980 1070963677 /nfs/dbraw/zinc/96/36/77/1070963677.db2.gz KBKKNSSXBMTHHR-ZVCOJXFSSA-N -1 0 515.404 5.308 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408897981 1070963862 /nfs/dbraw/zinc/96/38/62/1070963862.db2.gz KCKZORAXYDXYCX-UUYOSTAYSA-N -1 0 642.344 6.781 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408897520 1070966986 /nfs/dbraw/zinc/96/69/86/1070966986.db2.gz NOEYTRKMQBHRMG-BKUYFWCQSA-N -1 0 580.391 5.310 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)c(C)c1 ZINC000408897535 1070967146 /nfs/dbraw/zinc/96/71/46/1070967146.db2.gz XOUOWZGNTMOMRE-XDHOZWIPSA-N -1 0 539.813 5.965 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408897295 1070967639 /nfs/dbraw/zinc/96/76/39/1070967639.db2.gz ITMDFHZCJIAUAV-PKAZHMFMSA-N -1 0 585.056 6.926 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408897314 1070967796 /nfs/dbraw/zinc/96/77/96/1070967796.db2.gz IVGFVJORYPBISH-UUYOSTAYSA-N -1 0 695.337 7.031 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2F)C1=O ZINC000408897307 1070967813 /nfs/dbraw/zinc/96/78/13/1070967813.db2.gz IUUGENJDXJOIGD-UNOMPAQXSA-N -1 0 543.776 5.795 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408897293 1070967831 /nfs/dbraw/zinc/96/78/31/1070967831.db2.gz RFGBHQKJPXXHBB-LICLKQGHSA-N -1 0 610.269 5.498 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(C)cc4)o3)C(=O)[N-]C2=S)c1 ZINC000408910392 1070970196 /nfs/dbraw/zinc/97/01/96/1070970196.db2.gz JZGOZCJPHVNSGJ-XDHOZWIPSA-N -1 0 543.464 5.732 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000408913052 1071019961 /nfs/dbraw/zinc/01/99/61/1071019961.db2.gz KEHSICLPSRMALA-ZVHZXABRSA-N -1 0 545.364 5.987 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408913910 1071016080 /nfs/dbraw/zinc/01/60/80/1071016080.db2.gz WAPYOBBNSSUWPE-CIAFOILYSA-N -1 0 509.331 5.142 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000408913687 1071016566 /nfs/dbraw/zinc/01/65/66/1071016566.db2.gz MYOIOBWYWDFPPK-CAOOACKPSA-N -1 0 686.190 5.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408912681 1071022088 /nfs/dbraw/zinc/02/20/88/1071022088.db2.gz ROCRKXXIWMXZFJ-VXLYETTFSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408911566 1071061728 /nfs/dbraw/zinc/06/17/28/1071061728.db2.gz NXVIVKFVSBFGLS-CNHKJKLMSA-N -1 0 549.769 6.040 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408911620 1071060256 /nfs/dbraw/zinc/06/02/56/1071060256.db2.gz ADBJEQZOAUIVBX-QGMBQPNBSA-N -1 0 608.247 6.539 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408917516 1071147298 /nfs/dbraw/zinc/14/72/98/1071147298.db2.gz WBOLBJGEQNCHLX-ODLFYWEKSA-N -1 0 528.964 5.427 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408917414 1071149801 /nfs/dbraw/zinc/14/98/01/1071149801.db2.gz UCWZOLWYEWVWCW-JAIQZWGSSA-N -1 0 555.425 5.316 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408934173 1071201725 /nfs/dbraw/zinc/20/17/25/1071201725.db2.gz CSOVVGZFINGZHY-JFLMPSFJSA-N -1 0 635.475 7.356 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408937232 1071203286 /nfs/dbraw/zinc/20/32/86/1071203286.db2.gz NJAYZACKBKOLPU-MFKUBSTISA-N -1 0 651.930 7.870 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408937066 1071204801 /nfs/dbraw/zinc/20/48/01/1071204801.db2.gz MHDYCKFTHMDXBS-IUXPMGMMSA-N -1 0 627.772 6.514 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O ZINC000408936948 1071206621 /nfs/dbraw/zinc/20/66/21/1071206621.db2.gz LMOKYMBYVTVUHG-JMIUGGIZSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1Cl ZINC000408936967 1071207104 /nfs/dbraw/zinc/20/71/04/1071207104.db2.gz LPTQLLYOHAHELP-MTJSOVHGSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408936483 1071210885 /nfs/dbraw/zinc/21/08/85/1071210885.db2.gz KKSVYHYJVJGSJY-PKAZHMFMSA-N -1 0 573.432 6.818 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Cl)c1 ZINC000408935619 1071221778 /nfs/dbraw/zinc/22/17/78/1071221778.db2.gz ICWDNTSJEVBGIF-LQKURTRISA-N -1 0 601.486 7.435 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000408935638 1071222167 /nfs/dbraw/zinc/22/21/67/1071222167.db2.gz IFTQYCMJSDVXLF-IMRQLAEWSA-N -1 0 522.532 5.650 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408935081 1071229174 /nfs/dbraw/zinc/22/91/74/1071229174.db2.gz GKWFDGJCVLGNLI-PCLIKHOPSA-N -1 0 637.497 6.315 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408934655 1071230961 /nfs/dbraw/zinc/23/09/61/1071230961.db2.gz FNAJXDRLUVYZPY-JMIUGGIZSA-N -1 0 698.863 7.224 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408934520 1071232263 /nfs/dbraw/zinc/23/22/63/1071232263.db2.gz DWYZINJDHGSOOO-DHRITJCHSA-N -1 0 670.318 7.719 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408934591 1071233076 /nfs/dbraw/zinc/23/30/76/1071233076.db2.gz FEGSZWFYCWWMCQ-NDZAJKAJSA-N -1 0 607.037 7.457 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408934389 1071234428 /nfs/dbraw/zinc/23/44/28/1071234428.db2.gz AKOOTTXPUOVZHJ-QGMBQPNBSA-N -1 0 668.227 5.760 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)c1 ZINC000408934444 1071234958 /nfs/dbraw/zinc/23/49/58/1071234958.db2.gz ATMOOYQIQQAYNQ-CIAFOILYSA-N -1 0 550.365 5.220 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408942577 1071261781 /nfs/dbraw/zinc/26/17/81/1071261781.db2.gz ZKGBGCKKTCDTLR-WQRHYEAKSA-N -1 0 599.370 5.755 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408946516 1071268515 /nfs/dbraw/zinc/26/85/15/1071268515.db2.gz ALZRSAMMGVFLGA-GIJQJNRQSA-N -1 0 600.219 5.186 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408946598 1071269625 /nfs/dbraw/zinc/26/96/25/1071269625.db2.gz ARAQJNFEVLMSAR-KPGMTVGESA-N -1 0 647.171 8.215 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408946593 1071269726 /nfs/dbraw/zinc/26/97/26/1071269726.db2.gz AQXFORUWEWIZIG-BHGWPJFGSA-N -1 0 637.527 5.534 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408945065 1071280497 /nfs/dbraw/zinc/28/04/97/1071280497.db2.gz VUGOAYKRULZPPJ-YBFXNURJSA-N -1 0 556.756 5.256 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408941694 1071305829 /nfs/dbraw/zinc/30/58/29/1071305829.db2.gz PKYMLFHCOMDFFN-QGMBQPNBSA-N -1 0 621.227 5.918 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408941315 1071310037 /nfs/dbraw/zinc/31/00/37/1071310037.db2.gz WGURVUXKJBVWRS-JFLMPSFJSA-N -1 0 635.475 7.356 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000408940965 1071312028 /nfs/dbraw/zinc/31/20/28/1071312028.db2.gz VZVVOOSWSBWZBB-GIJQJNRQSA-N -1 0 517.752 5.598 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000408940139 1071318718 /nfs/dbraw/zinc/31/87/18/1071318718.db2.gz UJPLEJVOXYVXQM-ONUIUJJFSA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408939476 1071322470 /nfs/dbraw/zinc/32/24/70/1071322470.db2.gz SRPHETYDBQTKSM-VULFUBBASA-N -1 0 670.318 7.719 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408939364 1071323331 /nfs/dbraw/zinc/32/33/31/1071323331.db2.gz RWTZXOCSTYYHMK-MFOYZWKCSA-N -1 0 613.803 7.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408938452 1071329830 /nfs/dbraw/zinc/32/98/30/1071329830.db2.gz QTDPGLZOZVYNRR-MFOYZWKCSA-N -1 0 720.847 5.715 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000408938284 1071333864 /nfs/dbraw/zinc/33/38/64/1071333864.db2.gz PYOLJGGAZXJGMU-IMRQLAEWSA-N -1 0 538.987 6.164 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408937757 1071337137 /nfs/dbraw/zinc/33/71/37/1071337137.db2.gz ONSIKHUZAGWUKQ-LQKURTRISA-N -1 0 645.539 7.833 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408949771 1071359410 /nfs/dbraw/zinc/35/94/10/1071359410.db2.gz IULMYAAMSSJKMO-XODNFHPESA-N -1 0 659.552 7.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408949744 1071359490 /nfs/dbraw/zinc/35/94/90/1071359490.db2.gz ITEBPEDFAURCEH-REZTVBANSA-N -1 0 820.115 5.475 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000408949640 1071359961 /nfs/dbraw/zinc/35/99/61/1071359961.db2.gz IOJOUZLBWNIECL-MZJWZYIUSA-N -1 0 692.981 7.658 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408950381 1071356467 /nfs/dbraw/zinc/35/64/67/1071356467.db2.gz JNHCYCZITXYVNW-IBBHUPRXSA-N -1 0 696.041 8.969 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408948288 1071365982 /nfs/dbraw/zinc/36/59/82/1071365982.db2.gz FHZFISDMFCNFQD-SSDVNMTOSA-N -1 0 648.409 5.427 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000408948770 1071363944 /nfs/dbraw/zinc/36/39/44/1071363944.db2.gz GPDANOSTBCRTGX-OKCVXOCRSA-N -1 0 547.699 6.845 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408948409 1071365142 /nfs/dbraw/zinc/36/51/42/1071365142.db2.gz GBLWKHUMEJSWSJ-FRKPEAEDSA-N -1 0 590.213 5.730 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Cl)cc1OC ZINC000408948378 1071365168 /nfs/dbraw/zinc/36/51/68/1071365168.db2.gz FURPVDOHQYVSLQ-FOKLQQMPSA-N -1 0 535.040 5.882 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408948325 1071366478 /nfs/dbraw/zinc/36/64/78/1071366478.db2.gz FMWWOAJSEUNNAP-IPPBACCNSA-N -1 0 734.485 8.324 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408947943 1071367546 /nfs/dbraw/zinc/36/75/46/1071367546.db2.gz DWINFVTYNHXQMK-ALQBTCKLSA-N -1 0 596.727 7.861 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)cc1 ZINC000408947286 1071371787 /nfs/dbraw/zinc/37/17/87/1071371787.db2.gz BTIIGVASAIMZHE-VTNSRFBWSA-N -1 0 612.730 6.723 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408956838 1071376458 /nfs/dbraw/zinc/37/64/58/1071376458.db2.gz YRMNWOVOXKHKPZ-KKMKTNMSSA-N -1 0 769.328 8.687 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408956683 1071376780 /nfs/dbraw/zinc/37/67/80/1071376780.db2.gz XYDJOTRMACKZMC-FJEPWZHXSA-N -1 0 712.641 7.308 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408955392 1071383370 /nfs/dbraw/zinc/38/33/70/1071383370.db2.gz UIYRUNRNLVSJEV-OMCISZLKSA-N -1 0 667.239 5.581 40 10 KKCBRM COC(=O)COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408956399 1071379156 /nfs/dbraw/zinc/37/91/56/1071379156.db2.gz WMSCGRKPBIWWKR-AUEPDCJTSA-N -1 0 623.500 5.144 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408956405 1071379349 /nfs/dbraw/zinc/37/93/49/1071379349.db2.gz WNINEKMATMCMTF-WKULSOCRSA-N -1 0 597.111 7.062 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)cc1 ZINC000408956093 1071380520 /nfs/dbraw/zinc/38/05/20/1071380520.db2.gz VYJFLKSZKDOJRV-HNSNBQBZSA-N -1 0 590.768 7.075 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(I)o1 ZINC000408956087 1071380585 /nfs/dbraw/zinc/38/05/85/1071380585.db2.gz ZYDNCCPITMLJMQ-UFWORHAWSA-N -1 0 621.269 5.781 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408956058 1071380648 /nfs/dbraw/zinc/38/06/48/1071380648.db2.gz VTOQBTJFVRAWPS-IPPBACCNSA-N -1 0 568.117 7.190 40 10 KKCBRM Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C ZINC000408955146 1071386822 /nfs/dbraw/zinc/38/68/22/1071386822.db2.gz STMFGMIWXGPCHC-LQKURTRISA-N -1 0 519.645 6.228 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Br)cc1 ZINC000408954672 1071388872 /nfs/dbraw/zinc/38/88/72/1071388872.db2.gz SGLARQVEVUQEEM-QGMBQPNBSA-N -1 0 614.246 5.494 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408692633 1071394229 /nfs/dbraw/zinc/39/42/29/1071394229.db2.gz RFYGRYCJCHELGR-PCLIKHOPSA-N -1 0 501.558 5.217 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000408954010 1071393256 /nfs/dbraw/zinc/39/32/56/1071393256.db2.gz QVKHXSXGPJUKQS-WCMJOSRZSA-N -1 0 600.675 6.732 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408692279 1071396073 /nfs/dbraw/zinc/39/60/73/1071396073.db2.gz JACPPGBTBYGHIM-WOJGMQOQSA-N -1 0 547.833 5.485 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408692012 1071396505 /nfs/dbraw/zinc/39/65/05/1071396505.db2.gz BGMQDGZSVOVJLH-UDWIEESQSA-N -1 0 527.415 5.140 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408953132 1071398491 /nfs/dbraw/zinc/39/84/91/1071398491.db2.gz OVJCWEOQVPOYOZ-KPGMTVGESA-N -1 0 691.622 8.324 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408963892 1071420913 /nfs/dbraw/zinc/42/09/13/1071420913.db2.gz AQAYVZSEFFJWPK-ZVHZXABRSA-N -1 0 607.088 6.777 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000408960606 1071431829 /nfs/dbraw/zinc/43/18/29/1071431829.db2.gz NEESFWZSVVTFGA-HYARGMPZSA-N -1 0 536.495 5.867 40 10 KKCBRM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n21 ZINC000408958086 1071441793 /nfs/dbraw/zinc/44/17/93/1071441793.db2.gz VBINGYFGYOTSMX-DQARITGZSA-N -1 0 664.578 5.064 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCCSc1ccc(C)cc1 ZINC000408972127 1071451035 /nfs/dbraw/zinc/45/10/35/1071451035.db2.gz SLAIPFDGZPXWGK-IWIPYMOSSA-N -1 0 537.684 6.279 40 10 KKCBRM CC[C@H](C)c1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c2)cc1 ZINC000408970882 1071453999 /nfs/dbraw/zinc/45/39/99/1071453999.db2.gz ABGFOZCNHTYCCN-VPBNWZFVSA-N -1 0 533.671 6.762 40 10 KKCBRM CC[C@H](C)c1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000408970650 1071454415 /nfs/dbraw/zinc/45/44/15/1071454415.db2.gz JPNQWXHUJWOPDP-KQBNZFRXSA-N -1 0 533.671 6.762 40 10 KKCBRM Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c2)c1 ZINC000408970296 1071455283 /nfs/dbraw/zinc/45/52/83/1071455283.db2.gz FKVDXFXBWNZMEU-QQXSKIMKSA-N -1 0 533.671 6.680 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408968429 1071461519 /nfs/dbraw/zinc/46/15/19/1071461519.db2.gz YTSMYZDEZWXNGG-AFUMVMLFSA-N -1 0 594.495 6.950 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408968486 1071462102 /nfs/dbraw/zinc/46/21/02/1071462102.db2.gz ZNCIQGQTTKGTFX-LZYBPNLTSA-N -1 0 533.368 5.280 40 10 KKCBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C ZINC000408967413 1071466970 /nfs/dbraw/zinc/46/69/70/1071466970.db2.gz QMSVUSOYEISKHE-OCSSWDANSA-N -1 0 547.699 6.791 40 10 KKCBRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C(=O)c3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000408713531 1071479354 /nfs/dbraw/zinc/47/93/54/1071479354.db2.gz GGWJMMNUONLNIW-LJQANCHMSA-N -1 0 531.033 5.963 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408986560 1071489442 /nfs/dbraw/zinc/48/94/42/1071489442.db2.gz MZPQGKZHRGBXBK-YSMPRRRNSA-N -1 0 587.057 6.782 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408986374 1071490145 /nfs/dbraw/zinc/49/01/45/1071490145.db2.gz BYJMJOODASBADW-HAHDFKILSA-N -1 0 519.395 5.565 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(I)cc3)C2=O)cc1Cl ZINC000408986471 1071490923 /nfs/dbraw/zinc/49/09/23/1071490923.db2.gz CNFBBHRFVMEQGQ-JAIQZWGSSA-N -1 0 651.682 6.261 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408986125 1071493148 /nfs/dbraw/zinc/49/31/48/1071493148.db2.gz LRGCFZSCPNTRTO-BKUYFWCQSA-N -1 0 523.358 5.396 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408985947 1071494771 /nfs/dbraw/zinc/49/47/71/1071494771.db2.gz YWCYTFYFBDWBEC-LSCVHKIXSA-N -1 0 641.676 6.805 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C2=O)cc1 ZINC000408985688 1071497739 /nfs/dbraw/zinc/49/77/39/1071497739.db2.gz XQSPMISKSSYGPW-QQXSKIMKSA-N -1 0 595.568 5.932 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1Cl ZINC000408985886 1071496903 /nfs/dbraw/zinc/49/69/03/1071496903.db2.gz YREDCDOLSKOEIW-JJFYIABZSA-N -1 0 748.742 7.256 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408985891 1071496973 /nfs/dbraw/zinc/49/69/73/1071496973.db2.gz YRGRENSHFYPQNN-LSCVHKIXSA-N -1 0 594.676 6.963 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1 ZINC000408985712 1071498471 /nfs/dbraw/zinc/49/84/71/1071498471.db2.gz XYETZKKCDCBDQZ-JAIQZWGSSA-N -1 0 649.254 6.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1Cl ZINC000408985700 1071498544 /nfs/dbraw/zinc/49/85/44/1071498544.db2.gz XUGIWIQIZFBYCK-LSCVHKIXSA-N -1 0 641.676 6.805 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000408985523 1071499216 /nfs/dbraw/zinc/49/92/16/1071499216.db2.gz XFMBAOMKEGJXLY-HMAPJEAMSA-N -1 0 501.945 5.765 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1 ZINC000408985408 1071500598 /nfs/dbraw/zinc/50/05/98/1071500598.db2.gz WSYHQWMADQVJGZ-JAIQZWGSSA-N -1 0 665.709 6.515 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1 ZINC000408985257 1071502608 /nfs/dbraw/zinc/50/26/08/1071502608.db2.gz WBSDDKATZVBNFC-OYKKKHCWSA-N -1 0 728.324 6.857 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408984750 1071505313 /nfs/dbraw/zinc/50/53/13/1071505313.db2.gz JUQCTOVFWPZFRD-NDENLUEZSA-N -1 0 616.839 5.761 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408984635 1071507144 /nfs/dbraw/zinc/50/71/44/1071507144.db2.gz SGRCWHUTRUEFHR-ODLFYWEKSA-N -1 0 557.803 6.049 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1Cl ZINC000408984486 1071508332 /nfs/dbraw/zinc/50/83/32/1071508332.db2.gz RLWXPDOOKBJAIT-JJFYIABZSA-N -1 0 701.742 7.414 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408984364 1071509469 /nfs/dbraw/zinc/50/94/69/1071509469.db2.gz QDJMUICELLZETH-NUJZUDFISA-N -1 0 568.117 7.190 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408983892 1071513412 /nfs/dbraw/zinc/51/34/12/1071513412.db2.gz NZSNFJHQXKBLPP-NVMNQCDNSA-N -1 0 590.257 6.318 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1Cl ZINC000408984106 1071513444 /nfs/dbraw/zinc/51/34/44/1071513444.db2.gz PRPJRYCMOYWBCW-LSCVHKIXSA-N -1 0 743.679 6.011 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1Cl ZINC000408983570 1071515006 /nfs/dbraw/zinc/51/50/06/1071515006.db2.gz MKGRDWMODQIUIF-JMIUGGIZSA-N -1 0 526.376 5.162 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408983607 1071515898 /nfs/dbraw/zinc/51/58/98/1071515898.db2.gz MTSUESKAYNBZRS-OCKHKDLRSA-N -1 0 600.809 5.573 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408983129 1071519143 /nfs/dbraw/zinc/51/91/43/1071519143.db2.gz KTZKMKNYTIQGQG-CFRMEGHHSA-N -1 0 575.448 7.099 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408982562 1071524472 /nfs/dbraw/zinc/52/44/72/1071524472.db2.gz HUNQATYGMHQEOT-BKUYFWCQSA-N -1 0 583.866 6.309 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1Cl ZINC000408982997 1071521018 /nfs/dbraw/zinc/52/10/18/1071521018.db2.gz JLHREAYACJWLHG-LSCVHKIXSA-N -1 0 578.221 6.449 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1Cl ZINC000408982293 1071526645 /nfs/dbraw/zinc/52/66/45/1071526645.db2.gz DDEMHXGWMYZSKB-QRVIBDJDSA-N -1 0 575.846 6.810 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408982342 1071527373 /nfs/dbraw/zinc/52/73/73/1071527373.db2.gz GOLLHXVUXGIHAH-NVMNQCDNSA-N -1 0 573.802 5.804 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408723627 1071527593 /nfs/dbraw/zinc/52/75/93/1071527593.db2.gz YIUSCYZPYIKWDX-SRZZPIQSSA-N -1 0 642.358 7.328 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723591 1071527656 /nfs/dbraw/zinc/52/76/56/1071527656.db2.gz XJMXERHUNRPNQZ-CAOOACKPSA-N -1 0 647.847 5.941 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723460 1071528189 /nfs/dbraw/zinc/52/81/89/1071528189.db2.gz VIOANZMUPCMZAB-MKMNVTDBSA-N -1 0 715.265 6.047 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408981829 1071530106 /nfs/dbraw/zinc/53/01/06/1071530106.db2.gz CUZFTGJKJNIELK-JMIUGGIZSA-N -1 0 559.833 6.463 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408723228 1071530366 /nfs/dbraw/zinc/53/03/66/1071530366.db2.gz RLOQMBNLKHUAPT-KEBDBYFISA-N -1 0 606.325 6.565 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408723219 1071530438 /nfs/dbraw/zinc/53/04/38/1071530438.db2.gz RIIZHRABDVTEFY-LZYBPNLTSA-N -1 0 735.168 6.613 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(I)c3)C2=O)cc1 ZINC000408981906 1071530674 /nfs/dbraw/zinc/53/06/74/1071530674.db2.gz DOZFFNNKUUZFFK-HMAPJEAMSA-N -1 0 566.395 5.407 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408981942 1071531738 /nfs/dbraw/zinc/53/17/38/1071531738.db2.gz FDKZPKGPCRSXHR-LSCVHKIXSA-N -1 0 638.729 7.362 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(I)cc4)o3)C2=O)cc1Cl ZINC000408981803 1071532343 /nfs/dbraw/zinc/53/23/43/1071532343.db2.gz CBZHMLQMZPGCSD-BOPFTXTBSA-N -1 0 532.721 5.179 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408981566 1071533156 /nfs/dbraw/zinc/53/31/56/1071533156.db2.gz BRXXGCCEJBCQOV-MTJSOVHGSA-N -1 0 661.290 5.870 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408981385 1071533562 /nfs/dbraw/zinc/53/35/62/1071533562.db2.gz BAYFONHTIGNUGR-MYYYXRDXSA-N -1 0 632.454 6.261 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408981423 1071533757 /nfs/dbraw/zinc/53/37/57/1071533757.db2.gz BAMAQMKIMOPHLM-XKZIYDEJSA-N -1 0 583.866 6.309 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722291 1071534419 /nfs/dbraw/zinc/53/44/19/1071534419.db2.gz GPWXJEQYTUAMOU-DJKKODMXSA-N -1 0 592.298 6.175 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408722280 1071534578 /nfs/dbraw/zinc/53/45/78/1071534578.db2.gz GJALMWSRLLZVTJ-ZVHZXABRSA-N -1 0 621.940 7.065 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408722110 1071535085 /nfs/dbraw/zinc/53/50/85/1071535085.db2.gz DWPHXKNYVIXKAZ-DJKKODMXSA-N -1 0 639.298 6.017 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722055 1071536341 /nfs/dbraw/zinc/53/63/41/1071536341.db2.gz CQTUWFJXHUQSDM-LZYBPNLTSA-N -1 0 633.820 5.551 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408979821 1071542139 /nfs/dbraw/zinc/54/21/39/1071542139.db2.gz CYWMUAKGVKAPEO-QYJHSCKRSA-N -1 0 633.726 5.050 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408993569 1071564797 /nfs/dbraw/zinc/56/47/97/1071564797.db2.gz WMBBELYKHUYMDZ-HMAPJEAMSA-N -1 0 523.358 5.396 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)c1 ZINC000408993306 1071567098 /nfs/dbraw/zinc/56/70/98/1071567098.db2.gz DFVFEYDNTKFINU-VTNSRFBWSA-N -1 0 569.705 7.132 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408992760 1071571159 /nfs/dbraw/zinc/57/11/59/1071571159.db2.gz BQBWAYLUBRRJOC-CXUHLZMHSA-N -1 0 750.090 7.700 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408992307 1071574150 /nfs/dbraw/zinc/57/41/50/1071574150.db2.gz ROAGCUGBDQZHNX-BUVRLJJBSA-N -1 0 679.805 7.365 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)[N-]C2=S)cc1C ZINC000408991932 1071576115 /nfs/dbraw/zinc/57/61/15/1071576115.db2.gz PFPOIJUPLAEZOO-GZTJUZNOSA-N -1 0 536.616 5.397 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408991623 1071578492 /nfs/dbraw/zinc/57/84/92/1071578492.db2.gz OOJQLWTWBTXWKB-HYARGMPZSA-N -1 0 670.128 7.236 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5cc(C)cc(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408990748 1071586448 /nfs/dbraw/zinc/58/64/48/1071586448.db2.gz LQVXMCAKLYZXKT-UDWIEESQSA-N -1 0 590.708 6.203 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408989740 1071594747 /nfs/dbraw/zinc/59/47/47/1071594747.db2.gz IRPBAKTWKMFZIS-BUVRLJJBSA-N -1 0 665.778 7.056 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1Cl ZINC000408989678 1071596219 /nfs/dbraw/zinc/59/62/19/1071596219.db2.gz VAJFYLZGDSXVLW-GRSHGNNSSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000408989384 1071598316 /nfs/dbraw/zinc/59/83/16/1071598316.db2.gz HQDHPSBGLKXAEN-XMHGGMMESA-N -1 0 512.572 5.126 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C(=O)[N-]C2=S)c1 ZINC000408739406 1071603748 /nfs/dbraw/zinc/60/37/48/1071603748.db2.gz BNVVANQLWZXRBG-UFFVCSGVSA-N -1 0 650.378 6.964 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408739775 1071601496 /nfs/dbraw/zinc/60/14/96/1071601496.db2.gz AIOHAQRWUMBZIX-KEBDBYFISA-N -1 0 620.352 6.873 40 10 KKCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C ZINC000408988725 1071602105 /nfs/dbraw/zinc/60/21/05/1071602105.db2.gz JCCPIOKQOUDWET-UHFFFAOYSA-N -1 0 514.603 5.132 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408988793 1071602543 /nfs/dbraw/zinc/60/25/43/1071602543.db2.gz FYTZEZHWVSFUMR-YBFXNURJSA-N -1 0 567.048 5.119 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408988541 1071603175 /nfs/dbraw/zinc/60/31/75/1071603175.db2.gz REDJIKXWBBAMBL-UWVJOHFNSA-N -1 0 638.729 7.362 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408988101 1071606790 /nfs/dbraw/zinc/60/67/90/1071606790.db2.gz CNTPEVJONPFKEC-URTFQFMYSA-N -1 0 718.238 6.828 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408997027 1071614785 /nfs/dbraw/zinc/61/47/85/1071614785.db2.gz QGYQCYJXATYVSH-DEDYPNTBSA-N -1 0 504.373 5.971 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408743626 1071617758 /nfs/dbraw/zinc/61/77/58/1071617758.db2.gz WKIABFHVCDHALE-FMCGGJTJSA-N -1 0 652.364 6.784 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1 ZINC000408743022 1071619531 /nfs/dbraw/zinc/61/95/31/1071619531.db2.gz YOWXULGDVLVMAA-ANYBSYGZSA-N -1 0 539.591 6.486 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408742712 1071620086 /nfs/dbraw/zinc/62/00/86/1071620086.db2.gz SGQLMYPAJLDDKU-NDENLUEZSA-N -1 0 573.310 5.759 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408740793 1071628400 /nfs/dbraw/zinc/62/84/00/1071628400.db2.gz IDCNUZTXNUQJLF-JAIQZWGSSA-N -1 0 514.832 5.341 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(CC)cc4)C3=O)c1C)CCCC2 ZINC000408742108 1071622132 /nfs/dbraw/zinc/62/21/32/1071622132.db2.gz MZIPPDCYDCGFGP-KQWNVCNZSA-N -1 0 545.661 5.440 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408742101 1071622207 /nfs/dbraw/zinc/62/22/07/1071622207.db2.gz PGZLMWSABKQNLX-NVMNQCDNSA-N -1 0 636.749 6.284 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2-c2ccccc2)cc1 ZINC000408741722 1071623828 /nfs/dbraw/zinc/62/38/28/1071623828.db2.gz KUAZMDTWBWCHPN-JBASAIQMSA-N -1 0 583.713 7.350 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408741702 1071623933 /nfs/dbraw/zinc/62/39/33/1071623933.db2.gz NITQXZFQGPYPOM-JAIQZWGSSA-N -1 0 601.906 5.920 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408741776 1071624540 /nfs/dbraw/zinc/62/45/40/1071624540.db2.gz NTMUEJNGLJZXGL-USHMODERSA-N -1 0 604.529 7.405 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000408741433 1071625626 /nfs/dbraw/zinc/62/56/26/1071625626.db2.gz PTLHHLURMZTTEH-XHLNEMQHSA-N -1 0 539.660 6.951 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000408741460 1071625725 /nfs/dbraw/zinc/62/57/25/1071625725.db2.gz PXFADCDBAUQMKM-DEDYPNTBSA-N -1 0 541.438 5.471 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)o2)c(Br)c1 ZINC000408740641 1071629023 /nfs/dbraw/zinc/62/90/23/1071629023.db2.gz HTVJZZUJZXLKKB-BOPFTXTBSA-N -1 0 546.240 5.611 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c1C)CCCC2 ZINC000408740709 1071629729 /nfs/dbraw/zinc/62/97/29/1071629729.db2.gz DNYKEVJTMAKGLN-STZFKDTASA-N -1 0 535.597 5.017 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)C(=O)[N-]C1=S ZINC000408740387 1071630192 /nfs/dbraw/zinc/63/01/92/1071630192.db2.gz GAZYUVJESQNCTH-GZTJUZNOSA-N -1 0 593.240 5.453 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)ccc1Br ZINC000408757238 1071633746 /nfs/dbraw/zinc/63/37/46/1071633746.db2.gz WUDGYOCZXOYSNV-BOPFTXTBSA-N -1 0 530.172 5.446 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409004763 1071631562 /nfs/dbraw/zinc/63/15/62/1071631562.db2.gz QWLOPZOAWMZIGS-MWLSYYOVSA-N -1 0 605.691 5.847 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000408740105 1071631995 /nfs/dbraw/zinc/63/19/95/1071631995.db2.gz DNUHMQQMEJIWGJ-USHMODERSA-N -1 0 653.001 8.367 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000408739995 1071632777 /nfs/dbraw/zinc/63/27/77/1071632777.db2.gz CGVIXAPCZLMESH-HYARGMPZSA-N -1 0 566.477 5.173 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)cc1 ZINC000408756142 1071639990 /nfs/dbraw/zinc/63/99/90/1071639990.db2.gz UCFIHWXVYRVCMZ-VXLYETTFSA-N -1 0 663.160 6.836 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409002178 1071641807 /nfs/dbraw/zinc/64/18/07/1071641807.db2.gz YQLJUGFVRBNMPG-MHWRWJLKSA-N -1 0 671.194 6.937 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)ccc1Br ZINC000408755134 1071646551 /nfs/dbraw/zinc/64/65/51/1071646551.db2.gz MPMZCDJNMGBHSY-FYJGNVAPSA-N -1 0 532.369 5.566 40 10 KKCBRM Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408754848 1071648863 /nfs/dbraw/zinc/64/88/63/1071648863.db2.gz ABHJDSCCUCZPIV-CCVNUDIWSA-N -1 0 565.630 5.532 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)cc1C ZINC000408998977 1071656899 /nfs/dbraw/zinc/65/68/99/1071656899.db2.gz VOLXYEHNDFWYEC-OEAKJJBVSA-N -1 0 568.436 5.318 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408998884 1071657947 /nfs/dbraw/zinc/65/79/47/1071657947.db2.gz JGVYTBXUAHUQNP-DEDYPNTBSA-N -1 0 520.441 6.136 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)ccc1Br ZINC000408753258 1071659780 /nfs/dbraw/zinc/65/97/80/1071659780.db2.gz FYTZJCGYTXCOTI-GIJQJNRQSA-N -1 0 649.679 6.327 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408753010 1071661955 /nfs/dbraw/zinc/66/19/55/1071661955.db2.gz KRBISEXGZAXPGU-VXLYETTFSA-N -1 0 634.708 6.427 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408752368 1071664938 /nfs/dbraw/zinc/66/49/38/1071664938.db2.gz DWRCRTXIEXEOLD-RGVLZGJSSA-N -1 0 740.186 6.769 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408752345 1071665000 /nfs/dbraw/zinc/66/50/00/1071665000.db2.gz HXDBAOPEGDKKST-YBFXNURJSA-N -1 0 615.234 5.674 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)ccc1Br ZINC000408752586 1071665081 /nfs/dbraw/zinc/66/50/81/1071665081.db2.gz ILYHZUNJGULGKY-YBFXNURJSA-N -1 0 615.234 5.674 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408752280 1071666032 /nfs/dbraw/zinc/66/60/32/1071666032.db2.gz CVUCVTQGMVVJHW-YBFXNURJSA-N -1 0 604.284 6.708 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409016406 1071668327 /nfs/dbraw/zinc/66/83/27/1071668327.db2.gz CJCZUMMJBIVLIL-WSDLNYQXSA-N -1 0 555.441 5.147 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)[N-]C2=S)cc1 ZINC000409010804 1071690489 /nfs/dbraw/zinc/69/04/89/1071690489.db2.gz LNRDNXYBPOXRAG-YBFXNURJSA-N -1 0 500.407 5.241 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(I)c3)C2=O)ccc1Br ZINC000408760907 1071695817 /nfs/dbraw/zinc/69/58/17/1071695817.db2.gz AXTKPCVXXCILJU-YBFXNURJSA-N -1 0 635.227 5.747 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408758743 1071703561 /nfs/dbraw/zinc/70/35/61/1071703561.db2.gz QFRCPTMWHWGASG-GIJQJNRQSA-N -1 0 694.130 6.436 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000408760096 1071698565 /nfs/dbraw/zinc/69/85/65/1071698565.db2.gz RMOUUQDIPCRKEW-WOJGMQOQSA-N -1 0 567.308 5.033 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)ccc1Br ZINC000408759611 1071700026 /nfs/dbraw/zinc/70/00/26/1071700026.db2.gz HZGYMBZFWBMHGJ-YBFXNURJSA-N -1 0 560.231 6.310 40 10 KKCBRM O=C(Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408758239 1071707317 /nfs/dbraw/zinc/70/73/17/1071707317.db2.gz HVHWUEFEALDSBG-NDENLUEZSA-N -1 0 549.439 5.418 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408757608 1071711000 /nfs/dbraw/zinc/71/10/00/1071711000.db2.gz AVTOQOQEKFJCEV-YBFXNURJSA-N -1 0 604.682 6.419 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408757475 1071712106 /nfs/dbraw/zinc/71/21/06/1071712106.db2.gz XQJLRKGXISYUIQ-CIAFOILYSA-N -1 0 628.317 6.473 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409022372 1071719763 /nfs/dbraw/zinc/71/97/63/1071719763.db2.gz MAEUOHWTRLDJEN-VEILYXNESA-N -1 0 622.519 7.544 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408766222 1071720263 /nfs/dbraw/zinc/72/02/63/1071720263.db2.gz AGECXSINAXNWLJ-GIDUJCDVSA-N -1 0 678.672 7.682 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000408766298 1071720681 /nfs/dbraw/zinc/72/06/81/1071720681.db2.gz BPIJTQUTZAWYRQ-ONNFQVAWSA-N -1 0 568.527 5.256 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408767093 1071715947 /nfs/dbraw/zinc/71/59/47/1071715947.db2.gz VNYRSTFWEWKGMM-VCHYOVAHSA-N -1 0 665.253 5.755 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(I)c3)C2=O)ccc1Br ZINC000408766829 1071717824 /nfs/dbraw/zinc/71/78/24/1071717824.db2.gz SKFSXRMFQMGVSC-GIJQJNRQSA-N -1 0 761.123 6.351 40 10 KKCBRM CCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409021326 1071723542 /nfs/dbraw/zinc/72/35/42/1071723542.db2.gz BMJVYBOMZPJGCB-HZHRSRAPSA-N -1 0 501.608 5.054 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 ZINC000409021251 1071723562 /nfs/dbraw/zinc/72/35/62/1071723562.db2.gz ZNEKLHJPGUQOHY-MFKUBSTISA-N -1 0 522.630 5.037 40 10 KKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408762488 1071735902 /nfs/dbraw/zinc/73/59/02/1071735902.db2.gz LBZKNQWWEWVKIX-XDHOZWIPSA-N -1 0 537.822 6.850 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)cc1 ZINC000408762660 1071735532 /nfs/dbraw/zinc/73/55/32/1071735532.db2.gz PZUBTLXYSLSHOS-VXLYETTFSA-N -1 0 618.709 6.727 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408761899 1071738490 /nfs/dbraw/zinc/73/84/90/1071738490.db2.gz IEUBYOLZDNRYBE-YBFXNURJSA-N -1 0 695.735 6.660 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408761441 1071739904 /nfs/dbraw/zinc/73/99/04/1071739904.db2.gz KGXRWBVMTZHOIR-BKUYFWCQSA-N -1 0 567.461 5.267 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408776859 1071747088 /nfs/dbraw/zinc/74/70/88/1071747088.db2.gz ZXLUPJGUIYUJBI-CAOOACKPSA-N -1 0 619.827 5.513 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408776202 1071751497 /nfs/dbraw/zinc/75/14/97/1071751497.db2.gz NHHYZUHQGRKSCA-PCLIKHOPSA-N -1 0 588.433 6.241 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408776211 1071751507 /nfs/dbraw/zinc/75/15/07/1071751507.db2.gz NIVNXCSLROEBQS-VXLYETTFSA-N -1 0 606.775 5.338 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408776020 1071751799 /nfs/dbraw/zinc/75/17/99/1071751799.db2.gz MHSMCNWPPPAIIC-UVHMKAGCSA-N -1 0 588.535 7.535 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408776039 1071751824 /nfs/dbraw/zinc/75/18/24/1071751824.db2.gz MQHTXJQUMGYCMH-SRZZPIQSSA-N -1 0 553.384 5.459 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000408776970 1071748034 /nfs/dbraw/zinc/74/80/34/1071748034.db2.gz SQJYGPODSCBYGP-RQZCQDPDSA-N -1 0 656.782 6.217 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408776619 1071749005 /nfs/dbraw/zinc/74/90/05/1071749005.db2.gz XKOIUPQAZRDHRE-HYARGMPZSA-N -1 0 542.975 5.756 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408776378 1071750831 /nfs/dbraw/zinc/75/08/31/1071750831.db2.gz NZACOFJIOHDRBT-CAOOACKPSA-N -1 0 655.126 6.772 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408775724 1071753458 /nfs/dbraw/zinc/75/34/58/1071753458.db2.gz JJFDEVGDXNENGB-CIAFOILYSA-N -1 0 616.839 5.897 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000408775694 1071753519 /nfs/dbraw/zinc/75/35/19/1071753519.db2.gz IZCPINLUWDCDMZ-VXLYETTFSA-N -1 0 662.234 5.516 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408775627 1071754604 /nfs/dbraw/zinc/75/46/04/1071754604.db2.gz JGYAQAMEHOTIGI-LPYMAVHISA-N -1 0 555.441 5.147 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408774328 1071762889 /nfs/dbraw/zinc/76/28/89/1071762889.db2.gz CBRFLHGXQBIKQW-OMCISZLKSA-N -1 0 670.727 6.681 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408774497 1071760041 /nfs/dbraw/zinc/76/00/41/1071760041.db2.gz OTMPASAIWIUBFY-LPYMAVHISA-N -1 0 596.421 5.552 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408774607 1071760439 /nfs/dbraw/zinc/76/04/39/1071760439.db2.gz PVSQFKJNRIHUFA-LPYMAVHISA-N -1 0 546.004 5.482 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408773934 1071764140 /nfs/dbraw/zinc/76/41/40/1071764140.db2.gz KEOAEPHJLDKFLY-CIAFOILYSA-N -1 0 567.411 5.849 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408773248 1071768685 /nfs/dbraw/zinc/76/86/85/1071768685.db2.gz JNIHZVDDKHHGNP-HZHRSRAPSA-N -1 0 517.368 6.392 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(I)c3)C2=O)c1 ZINC000408773296 1071769464 /nfs/dbraw/zinc/76/94/64/1071769464.db2.gz QMRWVTYFUJYGMQ-MFKUBSTISA-N -1 0 602.428 6.307 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408772794 1071771880 /nfs/dbraw/zinc/77/18/80/1071771880.db2.gz FSWJNBITNCLTHP-VULFUBBASA-N -1 0 604.603 7.700 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408772507 1071772773 /nfs/dbraw/zinc/77/27/73/1071772773.db2.gz MIVBGOCZARJOQO-CAOOACKPSA-N -1 0 627.772 6.514 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408772497 1071772869 /nfs/dbraw/zinc/77/28/69/1071772869.db2.gz MBUPESCRPJDSMI-RQZCQDPDSA-N -1 0 605.858 6.308 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1C ZINC000408772171 1071774593 /nfs/dbraw/zinc/77/45/93/1071774593.db2.gz DRZLQZHPABIHSA-WGOQTCKBSA-N -1 0 521.529 5.610 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408772200 1071775100 /nfs/dbraw/zinc/77/51/00/1071775100.db2.gz FFGLBXARJQACRL-YDZHTSKRSA-N -1 0 563.448 6.018 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408771772 1071777889 /nfs/dbraw/zinc/77/78/89/1071777889.db2.gz HZJWUOPBUPYJSD-REZTVBANSA-N -1 0 692.699 8.072 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408771474 1071779916 /nfs/dbraw/zinc/77/99/16/1071779916.db2.gz IGPGYAJCYJMSCJ-BUVRLJJBSA-N -1 0 512.949 5.747 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C2=O)c1 ZINC000408771615 1071778881 /nfs/dbraw/zinc/77/88/81/1071778881.db2.gz JSZDASQVNHRWFQ-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 ZINC000408771839 1071779005 /nfs/dbraw/zinc/77/90/05/1071779005.db2.gz KMJNHSJPCRQOTB-PCLIKHOPSA-N -1 0 530.049 6.370 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408771080 1071783330 /nfs/dbraw/zinc/78/33/30/1071783330.db2.gz CYDVWGXQZIUFOO-RQZCQDPDSA-N -1 0 536.198 6.546 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408770896 1071783902 /nfs/dbraw/zinc/78/39/02/1071783902.db2.gz CEGMAAOMKKEKTQ-YDZHTSKRSA-N -1 0 591.845 6.510 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408770795 1071785029 /nfs/dbraw/zinc/78/50/29/1071785029.db2.gz AQPPNAJKZNMTMW-KOEQRZSOSA-N -1 0 501.652 5.622 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408769627 1071792377 /nfs/dbraw/zinc/79/23/77/1071792377.db2.gz XRHMVAZJBYVORA-UDWIEESQSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408768092 1071802725 /nfs/dbraw/zinc/80/27/25/1071802725.db2.gz SVCYJMFMIQXOJP-RQZCQDPDSA-N -1 0 627.649 6.497 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408768797 1071799244 /nfs/dbraw/zinc/79/92/44/1071799244.db2.gz JLROGCWSPWQRGA-CDLBOOTPSA-N -1 0 653.867 8.696 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(I)c3)C2=O)c1 ZINC000408768645 1071799822 /nfs/dbraw/zinc/79/98/22/1071799822.db2.gz ZKQATZBFMSQUSN-KEBDBYFISA-N -1 0 649.254 6.055 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408768621 1071799828 /nfs/dbraw/zinc/79/98/28/1071799828.db2.gz HYDVCDFYYJAJEK-VGOFMYFVSA-N -1 0 678.672 7.682 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408768310 1071802033 /nfs/dbraw/zinc/80/20/33/1071802033.db2.gz FCJHFFMAUBPGLD-ZVHZXABRSA-N -1 0 618.027 6.188 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408768193 1071803534 /nfs/dbraw/zinc/80/35/34/1071803534.db2.gz CRVMGGHOHLJEOJ-CIAFOILYSA-N -1 0 600.384 5.383 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Br)c1 ZINC000408782478 1071811050 /nfs/dbraw/zinc/81/10/50/1071811050.db2.gz JAVWHDIKDUNHMN-LPYMAVHISA-N -1 0 519.395 5.620 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C2=O)cc1 ZINC000408782160 1071813229 /nfs/dbraw/zinc/81/32/29/1071813229.db2.gz WIUBPGKJDATWKS-CIAFOILYSA-N -1 0 614.290 6.028 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408782052 1071813651 /nfs/dbraw/zinc/81/36/51/1071813651.db2.gz VKOBACSQTNXCKU-FYJGNVAPSA-N -1 0 577.420 6.409 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Cl)cc1 ZINC000408781679 1071814837 /nfs/dbraw/zinc/81/48/37/1071814837.db2.gz CWZQOBDTTUPMNJ-SRZZPIQSSA-N -1 0 509.389 6.164 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408780929 1071820615 /nfs/dbraw/zinc/82/06/15/1071820615.db2.gz NMZVLYMYVPOXNR-JVWAILMASA-N -1 0 560.437 6.646 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408780989 1071821312 /nfs/dbraw/zinc/82/13/12/1071821312.db2.gz PGMURLAFWLAEJZ-ZVHZXABRSA-N -1 0 561.421 6.791 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Cl)c1 ZINC000408780991 1071821404 /nfs/dbraw/zinc/82/14/04/1071821404.db2.gz PIKXPVBLUFPWFB-SRZZPIQSSA-N -1 0 509.389 6.164 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408780706 1071822970 /nfs/dbraw/zinc/82/29/70/1071822970.db2.gz IPPNENLYWJHFGP-WCMJOSRZSA-N -1 0 547.699 6.845 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000409047135 1071826474 /nfs/dbraw/zinc/82/64/74/1071826474.db2.gz NHGHZYJEWCBXBW-ZVHZXABRSA-N -1 0 650.323 7.009 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408779980 1071827031 /nfs/dbraw/zinc/82/70/31/1071827031.db2.gz PCPODUXUSPMDBX-OKCVXOCRSA-N -1 0 549.740 6.702 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)cc1 ZINC000408779701 1071828086 /nfs/dbraw/zinc/82/80/86/1071828086.db2.gz IDDFZSZSAMHYRZ-CAOOACKPSA-N -1 0 686.127 6.914 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408779507 1071828706 /nfs/dbraw/zinc/82/87/06/1071828706.db2.gz XLXWUVQHFZYQSU-VCHYOVAHSA-N -1 0 639.298 6.017 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1Br ZINC000409045593 1071825402 /nfs/dbraw/zinc/82/54/02/1071825402.db2.gz ZRNLXYLRLHJOGJ-MHWRWJLKSA-N -1 0 552.219 5.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409047258 1071825721 /nfs/dbraw/zinc/82/57/21/1071825721.db2.gz NVSCYQKKKZQWQP-CXUHLZMHSA-N -1 0 635.652 6.019 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1 ZINC000408778696 1071835758 /nfs/dbraw/zinc/83/57/58/1071835758.db2.gz WUINVEQBEMYABL-YDZHTSKRSA-N -1 0 667.297 6.761 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408779226 1071831429 /nfs/dbraw/zinc/83/14/29/1071831429.db2.gz SKMQCPNEAKAMMU-RQZCQDPDSA-N -1 0 580.649 6.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408779101 1071832764 /nfs/dbraw/zinc/83/27/64/1071832764.db2.gz RGOJDQFWJDYTBZ-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408778699 1071835808 /nfs/dbraw/zinc/83/58/08/1071835808.db2.gz WURJSAHJPYXADQ-YBFXNURJSA-N -1 0 501.753 5.892 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408778905 1071833171 /nfs/dbraw/zinc/83/31/71/1071833171.db2.gz ZNTDYCPKRGUEFP-RGVLZGJSSA-N -1 0 545.764 5.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1 ZINC000408778975 1071834114 /nfs/dbraw/zinc/83/41/14/1071834114.db2.gz NVMUNKVYFCDIDE-XDHOZWIPSA-N -1 0 558.759 5.190 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408778818 1071834722 /nfs/dbraw/zinc/83/47/22/1071834722.db2.gz LVNDZWBUEUECGQ-SRZZPIQSSA-N -1 0 553.384 5.459 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408778857 1071835167 /nfs/dbraw/zinc/83/51/67/1071835167.db2.gz YUBNBVSAKINTJI-KEBDBYFISA-N -1 0 579.403 5.049 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408778841 1071835291 /nfs/dbraw/zinc/83/52/91/1071835291.db2.gz MJUSORLQBKPZTP-LPYMAVHISA-N -1 0 569.468 5.455 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409045352 1071840110 /nfs/dbraw/zinc/84/01/10/1071840110.db2.gz GMDXNSOPDRYQJE-VXLYETTFSA-N -1 0 592.190 5.735 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408777766 1071841557 /nfs/dbraw/zinc/84/15/57/1071841557.db2.gz IECFRJKDBSSMII-KCSSXMTESA-N -1 0 636.217 8.221 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1 ZINC000408778013 1071839450 /nfs/dbraw/zinc/83/94/50/1071839450.db2.gz OGKYIEFFAUXBGQ-VXLYETTFSA-N -1 0 607.231 6.152 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000409045680 1071839501 /nfs/dbraw/zinc/83/95/01/1071839501.db2.gz HBAJYWBTKSNQLT-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000408778281 1071839525 /nfs/dbraw/zinc/83/95/25/1071839525.db2.gz SAJBARZTHLMQNN-VXLYETTFSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408777438 1071843435 /nfs/dbraw/zinc/84/34/35/1071843435.db2.gz ZHESPTKTJQDIMQ-FMFFXOCNSA-N -1 0 581.716 7.587 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409044963 1071844826 /nfs/dbraw/zinc/84/48/26/1071844826.db2.gz DXGMYVFONTTYJZ-WUXMJOGZSA-N -1 0 577.056 5.974 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409044749 1071845553 /nfs/dbraw/zinc/84/55/53/1071845553.db2.gz DBMRUOVCRRNRHU-LICLKQGHSA-N -1 0 574.200 5.596 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409044538 1071848863 /nfs/dbraw/zinc/84/88/63/1071848863.db2.gz VUBCJDZCIPLBJG-KEBDBYFISA-N -1 0 618.709 6.727 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408786726 1071848979 /nfs/dbraw/zinc/84/89/79/1071848979.db2.gz VLMCYENTDMSCHL-VXLYETTFSA-N -1 0 559.775 5.496 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409044195 1071851147 /nfs/dbraw/zinc/85/11/47/1071851147.db2.gz UENACKCITREOCU-CAOOACKPSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C1=O ZINC000409044231 1071851820 /nfs/dbraw/zinc/85/18/20/1071851820.db2.gz UQKXGNKJDZZBDM-VCHYOVAHSA-N -1 0 533.770 6.340 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000409044031 1071852346 /nfs/dbraw/zinc/85/23/46/1071852346.db2.gz AMPSRVWAGUGFMV-VXLYETTFSA-N -1 0 531.779 5.901 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408785602 1071855790 /nfs/dbraw/zinc/85/57/90/1071855790.db2.gz IBFCOAWWBOSGEL-HZHRSRAPSA-N -1 0 564.947 7.066 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000409043053 1071863150 /nfs/dbraw/zinc/86/31/50/1071863150.db2.gz PJXHPTSEHKUOBI-VXLYETTFSA-N -1 0 604.226 5.605 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408784898 1071860496 /nfs/dbraw/zinc/86/04/96/1071860496.db2.gz WHQBGWKEEIQHGT-XNTDXEJSSA-N -1 0 506.139 5.682 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408784810 1071861984 /nfs/dbraw/zinc/86/19/84/1071861984.db2.gz SXRLZXADOLRBDS-GIJQJNRQSA-N -1 0 635.652 6.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000408783725 1071867408 /nfs/dbraw/zinc/86/74/08/1071867408.db2.gz QNFVJDSCKBJGLU-GIJQJNRQSA-N -1 0 655.645 6.092 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccccc1Cl ZINC000408783766 1071868267 /nfs/dbraw/zinc/86/82/67/1071868267.db2.gz QVHGEDQYLJXKMQ-WOJGMQOQSA-N -1 0 571.413 5.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409042343 1071871522 /nfs/dbraw/zinc/87/15/22/1071871522.db2.gz MMKHYCHMLPKQEB-VXLYETTFSA-N -1 0 608.645 6.250 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1 ZINC000409042349 1071871547 /nfs/dbraw/zinc/87/15/47/1071871547.db2.gz MMYPUXAYVQVWNF-YBFXNURJSA-N -1 0 515.324 5.387 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 ZINC000409042539 1071870291 /nfs/dbraw/zinc/87/02/91/1071870291.db2.gz NDNLUPJISOQVIT-RGVLZGJSSA-N -1 0 529.351 5.777 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409042323 1071871584 /nfs/dbraw/zinc/87/15/84/1071871584.db2.gz MISMXPYJZDXTBY-FRKPEAEDSA-N -1 0 570.643 7.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409042375 1071872141 /nfs/dbraw/zinc/87/21/41/1071872141.db2.gz MQAMOGRQYZMDAR-VIZOYTHASA-N -1 0 643.090 6.903 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1 ZINC000408783215 1071872481 /nfs/dbraw/zinc/87/24/81/1071872481.db2.gz MIOHNBSHQPUKHB-UDWIEESQSA-N -1 0 526.376 5.244 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409041977 1071874035 /nfs/dbraw/zinc/87/40/35/1071874035.db2.gz LPXYHJKQSZKYNZ-RQZCQDPDSA-N -1 0 600.263 6.043 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000409041166 1071883059 /nfs/dbraw/zinc/88/30/59/1071883059.db2.gz IUQWVEDEMYASCF-CXUHLZMHSA-N -1 0 536.220 5.284 40 10 KKCBRM COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409041127 1071883210 /nfs/dbraw/zinc/88/32/10/1071883210.db2.gz ILWZMVGUSOEKGY-UDWIEESQSA-N -1 0 586.236 5.466 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409041617 1071878900 /nfs/dbraw/zinc/87/89/00/1071878900.db2.gz AUOFFXFXVBIJSL-FRKPEAEDSA-N -1 0 643.090 6.903 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2Br)cc1C ZINC000408796102 1071879807 /nfs/dbraw/zinc/87/98/07/1071879807.db2.gz DOBBMBROTHXMCH-FYJGNVAPSA-N -1 0 519.395 5.620 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408796069 1071880637 /nfs/dbraw/zinc/88/06/37/1071880637.db2.gz DDTRLSNBTYPHED-YZSQISJMSA-N -1 0 541.003 6.446 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408794705 1071884519 /nfs/dbraw/zinc/88/45/19/1071884519.db2.gz AZFASEDBRHAGOV-LDADJPATSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408796086 1071881174 /nfs/dbraw/zinc/88/11/74/1071881174.db2.gz DJLMSQPEJVUAOH-SRZZPIQSSA-N -1 0 595.866 7.362 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C)cc3)C2=O)cc1 ZINC000409039764 1071896833 /nfs/dbraw/zinc/89/68/33/1071896833.db2.gz DJMMXEKQTBXIDP-LPYMAVHISA-N -1 0 525.388 5.946 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408805473 1071906456 /nfs/dbraw/zinc/90/64/56/1071906456.db2.gz KJLKRZSLXYSARP-LZYBPNLTSA-N -1 0 657.675 6.505 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408805868 1071905704 /nfs/dbraw/zinc/90/57/04/1071905704.db2.gz HZPAVYMREWCUHW-XDHOZWIPSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000409038676 1071905813 /nfs/dbraw/zinc/90/58/13/1071905813.db2.gz AOEYSNDZSMAAEW-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408807063 1071901360 /nfs/dbraw/zinc/90/13/60/1071901360.db2.gz KAMATTVOMAAFNO-HZHRSRAPSA-N -1 0 531.395 6.700 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408806990 1071901938 /nfs/dbraw/zinc/90/19/38/1071901938.db2.gz NVRVCSSLFHWZDO-OVVQPSECSA-N -1 0 522.532 5.650 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408806689 1071902896 /nfs/dbraw/zinc/90/28/96/1071902896.db2.gz BERSOGJREMMNMI-KEBDBYFISA-N -1 0 620.802 5.728 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408806641 1071903035 /nfs/dbraw/zinc/90/30/35/1071903035.db2.gz FZHWEAJRYHONOM-VXLYETTFSA-N -1 0 531.779 5.901 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408805221 1071906954 /nfs/dbraw/zinc/90/69/54/1071906954.db2.gz JRHNWOGIFNDXDD-CIAFOILYSA-N -1 0 525.388 5.864 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408805085 1071908145 /nfs/dbraw/zinc/90/81/45/1071908145.db2.gz DKBYYTCDNPULBK-MFKUBSTISA-N -1 0 613.508 7.172 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000408803231 1071910033 /nfs/dbraw/zinc/91/00/33/1071910033.db2.gz MSVAASHBTPCUOB-CPNJWEJPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc3ccccc32)C1=O ZINC000408802284 1071911950 /nfs/dbraw/zinc/91/19/50/1071911950.db2.gz XYMVMPGGLYAIHN-HZHRSRAPSA-N -1 0 575.846 6.810 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408802230 1071912512 /nfs/dbraw/zinc/91/25/12/1071912512.db2.gz YOOTYHFHFUWMCZ-MFKUBSTISA-N -1 0 660.508 7.014 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409048961 1071914511 /nfs/dbraw/zinc/91/45/11/1071914511.db2.gz PNSLBKMETXQHPM-YBFXNURJSA-N -1 0 610.269 5.498 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409056932 1071918721 /nfs/dbraw/zinc/91/87/21/1071918721.db2.gz NOQKCXCTQCAEKK-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 ZINC000409056529 1071921391 /nfs/dbraw/zinc/92/13/91/1071921391.db2.gz MPGSNBZYUKDPKT-DJKKODMXSA-N -1 0 526.332 5.455 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409055415 1071927410 /nfs/dbraw/zinc/92/74/10/1071927410.db2.gz IOGFMXSMTBYGEJ-VCHYOVAHSA-N -1 0 574.200 5.596 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000409055590 1071926095 /nfs/dbraw/zinc/92/60/95/1071926095.db2.gz JKMHPNAHJYZBJD-UDWIEESQSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409053897 1071937769 /nfs/dbraw/zinc/93/77/69/1071937769.db2.gz DJDZHPWGJMEPMY-LICLKQGHSA-N -1 0 669.551 6.873 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409052781 1071943285 /nfs/dbraw/zinc/94/32/85/1071943285.db2.gz AKYVQMADJUBKLO-RGVLZGJSSA-N -1 0 586.236 5.471 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409052888 1071943789 /nfs/dbraw/zinc/94/37/89/1071943789.db2.gz BEXXLMFECOYDRJ-AWNIVKPZSA-N -1 0 542.611 5.239 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409049576 1071963406 /nfs/dbraw/zinc/96/34/06/1071963406.db2.gz WSMKRBXUFXXGHX-RQZCQDPDSA-N -1 0 501.297 5.084 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409049684 1071963926 /nfs/dbraw/zinc/96/39/26/1071963926.db2.gz XSWKELXHQJESFR-QGMBQPNBSA-N -1 0 703.996 7.526 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409049197 1071966257 /nfs/dbraw/zinc/96/62/57/1071966257.db2.gz VNXPDNCVWYRXQS-VXLYETTFSA-N -1 0 648.691 5.897 40 10 KKCBRM CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409049088 1071967811 /nfs/dbraw/zinc/96/78/11/1071967811.db2.gz WCZSGGYYXJYBKP-HYARGMPZSA-N -1 0 525.388 6.028 40 10 KKCBRM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000409049094 1071967914 /nfs/dbraw/zinc/96/79/14/1071967914.db2.gz WEKBMLVZLUZPKS-LZYBPNLTSA-N -1 0 540.183 5.052 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409048612 1071969939 /nfs/dbraw/zinc/96/99/39/1071969939.db2.gz SRJGTYDVFQSOGQ-GIJQJNRQSA-N -1 0 635.652 6.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409048628 1071970532 /nfs/dbraw/zinc/97/05/32/1071970532.db2.gz TWHNPTDVPBQILA-VXLYETTFSA-N -1 0 635.652 6.019 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409047586 1071979359 /nfs/dbraw/zinc/97/93/59/1071979359.db2.gz OSPJZEOZQSKRMI-RGVLZGJSSA-N -1 0 659.864 5.336 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)C1=O ZINC000409048221 1071974517 /nfs/dbraw/zinc/97/45/17/1071974517.db2.gz RNQWKYCVKALFIY-RQZCQDPDSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409047906 1071976781 /nfs/dbraw/zinc/97/67/81/1071976781.db2.gz PYLHBNPEHJZQKC-VCHYOVAHSA-N -1 0 517.752 5.598 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409058646 1071985521 /nfs/dbraw/zinc/98/55/21/1071985521.db2.gz SJMHKJHVKXWAQO-DJKKODMXSA-N -1 0 649.679 6.327 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1 ZINC000409058859 1071984987 /nfs/dbraw/zinc/98/49/87/1071984987.db2.gz UFYMTOTVIAWGBG-VXLYETTFSA-N -1 0 586.236 5.471 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409058187 1071988184 /nfs/dbraw/zinc/98/81/84/1071988184.db2.gz SBRNHMSCQWTZBU-XDHOZWIPSA-N -1 0 612.864 5.494 40 10 KKCBRM CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409058105 1071989195 /nfs/dbraw/zinc/98/91/95/1071989195.db2.gz RGACUJVDYLVREK-WLRTZDKTSA-N -1 0 591.083 6.220 40 10 KKCBRM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409058072 1071989207 /nfs/dbraw/zinc/98/92/07/1071989207.db2.gz QZNKZXIHACVBQP-MKMNVTDBSA-N -1 0 591.083 6.220 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409066790 1071999822 /nfs/dbraw/zinc/99/98/22/1071999822.db2.gz BLMAQGGFWCWBME-ZWSXMNCCSA-N -1 0 542.213 5.608 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409060434 1072034808 /nfs/dbraw/zinc/03/48/08/1072034808.db2.gz ZYIYERQCZOWKKK-VXLYETTFSA-N -1 0 531.779 5.901 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409060392 1072034391 /nfs/dbraw/zinc/03/43/91/1072034391.db2.gz ZNAALIWBVXPQOJ-VXLYETTFSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409059661 1072038278 /nfs/dbraw/zinc/03/82/78/1072038278.db2.gz WIVOLTLEEVRZIF-DJKKODMXSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409059695 1072038777 /nfs/dbraw/zinc/03/87/77/1072038777.db2.gz XCIIJCHDYAVSEJ-CXUHLZMHSA-N -1 0 625.100 6.764 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409067334 1072039298 /nfs/dbraw/zinc/03/92/98/1072039298.db2.gz CNWBPTVJOBZTNG-PCLIKHOPSA-N -1 0 710.502 5.313 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077172 1072041419 /nfs/dbraw/zinc/04/14/19/1072041419.db2.gz DFONDWRTQLPAMT-LZYBPNLTSA-N -1 0 600.720 7.033 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409076184 1072053744 /nfs/dbraw/zinc/05/37/44/1072053744.db2.gz ZDNNUTPEJPWFIY-FYJGNVAPSA-N -1 0 530.993 5.391 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409074757 1072066751 /nfs/dbraw/zinc/06/67/51/1072066751.db2.gz VJINIAPLCSVPJZ-VCHYOVAHSA-N -1 0 551.791 5.081 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074763 1072066896 /nfs/dbraw/zinc/06/68/96/1072066896.db2.gz VKABNUDUJLXKAK-GIJQJNRQSA-N -1 0 595.844 5.398 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409074007 1072071158 /nfs/dbraw/zinc/07/11/58/1072071158.db2.gz PGFYCPZJPRMVEN-OQLLNIDSSA-N -1 0 675.138 5.953 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409073368 1072075144 /nfs/dbraw/zinc/07/51/44/1072075144.db2.gz YHZIIDREPPJGNL-RQZCQDPDSA-N -1 0 640.693 5.299 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073036 1072079045 /nfs/dbraw/zinc/07/90/45/1072079045.db2.gz OMNLPZBWZDZJOA-UDWIEESQSA-N -1 0 575.426 5.135 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409072821 1072079751 /nfs/dbraw/zinc/07/97/51/1072079751.db2.gz LFUVLZZGMAGGMO-UDWIEESQSA-N -1 0 513.800 5.920 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409072115 1072084723 /nfs/dbraw/zinc/08/47/23/1072084723.db2.gz BJCCCRCXMSQQCR-CXUHLZMHSA-N -1 0 581.817 5.090 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409071858 1072087039 /nfs/dbraw/zinc/08/70/39/1072087039.db2.gz SOCBGEZBMAJATI-YZSQISJMSA-N -1 0 677.529 5.861 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409069677 1072102068 /nfs/dbraw/zinc/10/20/68/1072102068.db2.gz WXGMLDCWVKVPRC-RQZCQDPDSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409068368 1072112771 /nfs/dbraw/zinc/11/27/71/1072112771.db2.gz INNBAWJUKXUUSC-GZTJUZNOSA-N -1 0 551.791 5.081 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409068960 1072108180 /nfs/dbraw/zinc/10/81/80/1072108180.db2.gz SZSIFXAEMIZAKR-YBFXNURJSA-N -1 0 666.877 5.086 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068780 1072109294 /nfs/dbraw/zinc/10/92/94/1072109294.db2.gz VMKPSXYLRNDPRK-UHFFFAOYSA-N -1 0 582.996 6.209 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409068630 1072110281 /nfs/dbraw/zinc/11/02/81/1072110281.db2.gz BJIMEKGWHXFWPG-PCLIKHOPSA-N -1 0 623.470 6.007 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409067552 1072116525 /nfs/dbraw/zinc/11/65/25/1072116525.db2.gz FFQQVECUWCOGDE-UDWIEESQSA-N -1 0 554.466 5.014 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409067485 1072117854 /nfs/dbraw/zinc/11/78/54/1072117854.db2.gz QYYKGEAXAPLXFD-LDADJPATSA-N -1 0 575.426 5.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409080870 1072118783 /nfs/dbraw/zinc/11/87/83/1072118783.db2.gz ODVZOPJWFCZWPI-ONUIUJJFSA-N -1 0 597.465 6.960 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079786 1072128772 /nfs/dbraw/zinc/12/87/72/1072128772.db2.gz LTFLGTFZLBUUCK-OVCLIPMQSA-N -1 0 654.779 6.805 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1C ZINC000409079779 1072128852 /nfs/dbraw/zinc/12/88/52/1072128852.db2.gz LNZRQVHEYYYBHB-VCHYOVAHSA-N -1 0 536.884 5.232 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079404 1072134564 /nfs/dbraw/zinc/13/45/64/1072134564.db2.gz FSVZTVHKPIMQKG-FRKPEAEDSA-N -1 0 611.272 6.287 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409079152 1072138563 /nfs/dbraw/zinc/13/85/63/1072138563.db2.gz KDJOUZQIZASESV-CXUHLZMHSA-N -1 0 566.275 6.379 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079030 1072140436 /nfs/dbraw/zinc/14/04/36/1072140436.db2.gz KGUHSONIPDUDAE-MKMNVTDBSA-N -1 0 607.746 5.931 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077972 1072150655 /nfs/dbraw/zinc/15/06/55/1072150655.db2.gz GXBQGESJYVOEOP-LICLKQGHSA-N -1 0 655.177 6.597 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl ZINC000409077769 1072151566 /nfs/dbraw/zinc/15/15/66/1072151566.db2.gz AANSMFLGOIFHHA-LZYBPNLTSA-N -1 0 601.753 5.686 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409077841 1072152441 /nfs/dbraw/zinc/15/24/41/1072152441.db2.gz GCCBTDCUMHSAHL-WQRHYEAKSA-N -1 0 515.375 5.211 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409087199 1072159188 /nfs/dbraw/zinc/15/91/88/1072159188.db2.gz BCQIOVQPZHVMFK-LZYBPNLTSA-N -1 0 601.311 5.055 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077515 1072154824 /nfs/dbraw/zinc/15/48/24/1072154824.db2.gz FUEIGVKBVCFHEO-VCHYOVAHSA-N -1 0 697.360 6.084 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000409085586 1072177166 /nfs/dbraw/zinc/17/71/66/1072177166.db2.gz DVCMOHYHCUCSSU-NTEUORMPSA-N -1 0 523.836 5.040 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082742 1072207580 /nfs/dbraw/zinc/20/75/80/1072207580.db2.gz SPKPBQKNARAMJZ-LZYBPNLTSA-N -1 0 579.846 5.873 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083069 1072204783 /nfs/dbraw/zinc/20/47/83/1072204783.db2.gz UTKXEIVRZPFOTJ-CXUHLZMHSA-N -1 0 692.806 5.927 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082497 1072211839 /nfs/dbraw/zinc/21/18/39/1072211839.db2.gz SRLMEGULDSBYNJ-LZYBPNLTSA-N -1 0 596.301 6.388 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409097123 1072230618 /nfs/dbraw/zinc/23/06/18/1072230618.db2.gz LNZYWFMOWJAFMT-LPYMAVHISA-N -1 0 570.486 6.531 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081081 1072228226 /nfs/dbraw/zinc/22/82/26/1072228226.db2.gz MYXSKZQKOLDWRN-XDHOZWIPSA-N -1 0 599.474 5.258 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409096640 1072232755 /nfs/dbraw/zinc/23/27/55/1072232755.db2.gz KRYFKSAHYYQTQS-WGOQTCKBSA-N -1 0 634.983 7.229 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)SC1=S ZINC000409095773 1072238138 /nfs/dbraw/zinc/23/81/38/1072238138.db2.gz JBLWILANSCEAAY-LICLKQGHSA-N -1 0 557.285 5.467 40 10 KKCBRM COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 ZINC000409094953 1072243986 /nfs/dbraw/zinc/24/39/86/1072243986.db2.gz GUCOZPZYXHVGLI-WOJGMQOQSA-N -1 0 526.376 5.162 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409092796 1072258871 /nfs/dbraw/zinc/25/88/71/1072258871.db2.gz WWWUDJLZLNSARV-CXUHLZMHSA-N -1 0 621.278 5.743 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409092913 1072259766 /nfs/dbraw/zinc/25/97/66/1072259766.db2.gz WTNUCWDCQUWZOS-WOJGMQOQSA-N -1 0 552.883 5.014 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092098 1072265377 /nfs/dbraw/zinc/26/53/77/1072265377.db2.gz TWXVBLKTXCPYRA-RQZCQDPDSA-N -1 0 676.230 5.885 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090370 1072281991 /nfs/dbraw/zinc/28/19/91/1072281991.db2.gz MSVAKYHKYJMGFH-LZYBPNLTSA-N -1 0 622.306 5.549 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409090960 1072276532 /nfs/dbraw/zinc/27/65/32/1072276532.db2.gz NZJUHBCXGIHANN-CXUHLZMHSA-N -1 0 549.820 5.865 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409090747 1072277041 /nfs/dbraw/zinc/27/70/41/1072277041.db2.gz OHCSBFIZIGURBC-LICLKQGHSA-N -1 0 545.857 6.034 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409090799 1072277797 /nfs/dbraw/zinc/27/77/97/1072277797.db2.gz OTBZYOFVSWZLIN-LZYBPNLTSA-N -1 0 624.753 6.797 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C ZINC000409090480 1072280623 /nfs/dbraw/zinc/28/06/23/1072280623.db2.gz NKRDGOMDKQSUQF-XDHOZWIPSA-N -1 0 525.439 5.689 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088365 1072300084 /nfs/dbraw/zinc/30/00/84/1072300084.db2.gz XGZUMQIGLKWYFP-VCHYOVAHSA-N -1 0 633.919 5.911 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088237 1072301604 /nfs/dbraw/zinc/30/16/04/1072301604.db2.gz WJKWVNFAFAKPRO-VCHYOVAHSA-N -1 0 605.909 6.133 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409087487 1072309176 /nfs/dbraw/zinc/30/91/76/1072309176.db2.gz YXZAXHZAPJIKGZ-RQZCQDPDSA-N -1 0 557.302 5.577 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409102233 1072309725 /nfs/dbraw/zinc/30/97/25/1072309725.db2.gz VLXDEGSYRCXGBE-CAOOACKPSA-N -1 0 624.305 5.862 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409101507 1072314867 /nfs/dbraw/zinc/31/48/67/1072314867.db2.gz YPLANJMYHQIEQZ-GXDHUFHOSA-N -1 0 509.823 6.526 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)[N-]C1=S ZINC000409100962 1072316399 /nfs/dbraw/zinc/31/63/99/1072316399.db2.gz WDPPLJZGIFEECC-FYJGNVAPSA-N -1 0 530.993 5.391 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409332655 1072357999 /nfs/dbraw/zinc/35/79/99/1072357999.db2.gz QVTBLKDRBIDLMS-DEDYPNTBSA-N -1 0 575.531 6.035 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409104489 1072354268 /nfs/dbraw/zinc/35/42/68/1072354268.db2.gz FIFMLLBCCOXCDL-LFIBNONCSA-N -1 0 518.853 6.194 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409328972 1072389530 /nfs/dbraw/zinc/38/95/30/1072389530.db2.gz BGXJCMKHMDYLGC-CHHVJCJISA-N -1 0 577.703 5.730 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccccc1Cl ZINC000409327981 1072395659 /nfs/dbraw/zinc/39/56/59/1072395659.db2.gz OPPKXHUYCGVSAY-FYJGNVAPSA-N -1 0 531.080 5.925 40 10 KKCBRM Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409108953 1072404034 /nfs/dbraw/zinc/40/40/34/1072404034.db2.gz ZSXMQHAUHFIUJG-ZVHZXABRSA-N -1 0 519.047 6.755 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409336926 1072405781 /nfs/dbraw/zinc/40/57/81/1072405781.db2.gz QUTZPKDZPXQGTP-BRJLIKDPSA-N -1 0 789.348 9.240 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409123406 1072416906 /nfs/dbraw/zinc/41/69/06/1072416906.db2.gz GDRFMTIGHDFJLN-YDZHTSKRSA-N -1 0 670.500 5.647 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000409346116 1072417570 /nfs/dbraw/zinc/41/75/70/1072417570.db2.gz NIQHWMZFTWJCQH-ODLFYWEKSA-N -1 0 500.395 6.122 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409345342 1072426349 /nfs/dbraw/zinc/42/63/49/1072426349.db2.gz LGJCQZSZLCWWAF-YBFXNURJSA-N -1 0 595.949 6.298 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409119155 1072437405 /nfs/dbraw/zinc/43/74/05/1072437405.db2.gz ROACVKSGFATAEJ-XQNSMLJCSA-N -1 0 506.071 6.230 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409127000 1072448798 /nfs/dbraw/zinc/44/87/98/1072448798.db2.gz CCNJATVKTQYWSK-YBFXNURJSA-N -1 0 526.431 5.444 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409126281 1072454530 /nfs/dbraw/zinc/45/45/30/1072454530.db2.gz FEORIELYMFVGFK-WPWMEQJKSA-N -1 0 515.638 6.291 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409125396 1072460229 /nfs/dbraw/zinc/46/02/29/1072460229.db2.gz NGXCWBSUSDDWCX-JVWAILMASA-N -1 0 629.109 6.930 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409125304 1072461815 /nfs/dbraw/zinc/46/18/15/1072461815.db2.gz DUEMBBVENYCPLQ-RGVLZGJSSA-N -1 0 653.924 5.874 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409124932 1072463431 /nfs/dbraw/zinc/46/34/31/1072463431.db2.gz CHMHMKQOWRAQDD-JFLMPSFJSA-N -1 0 604.559 7.428 40 10 KKCBRM CCN(CC)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409339407 1072475362 /nfs/dbraw/zinc/47/53/62/1072475362.db2.gz VBBNNWGXTMUPJF-FSJBWODESA-N -1 0 592.595 7.026 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000409338671 1072482560 /nfs/dbraw/zinc/48/25/60/1072482560.db2.gz ODIGXUJYFIBKMK-ZDLGFXPLSA-N -1 0 520.813 6.467 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409338460 1072486075 /nfs/dbraw/zinc/48/60/75/1072486075.db2.gz KLCHSWZDWPSBAA-UUASQNMZSA-N -1 0 519.225 5.625 40 10 KKCBRM Cc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409338249 1072486732 /nfs/dbraw/zinc/48/67/32/1072486732.db2.gz GONVVJSMKQQVLL-JMIUGGIZSA-N -1 0 503.432 6.505 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000409338224 1072486774 /nfs/dbraw/zinc/48/67/74/1072486774.db2.gz GAXZINBNSLMJOB-CHHVJCJISA-N -1 0 515.794 5.521 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409135200 1072486787 /nfs/dbraw/zinc/48/67/87/1072486787.db2.gz XOVZNONJXUUZQP-MFKUBSTISA-N -1 0 567.627 5.638 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409134676 1072489464 /nfs/dbraw/zinc/48/94/64/1072489464.db2.gz PDZRODJEKBCCRT-CIAFOILYSA-N -1 0 627.463 5.635 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409134268 1072492796 /nfs/dbraw/zinc/49/27/96/1072492796.db2.gz NYTVWXJAPWHFNA-LPYMAVHISA-N -1 0 603.886 6.685 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133480 1072499434 /nfs/dbraw/zinc/49/94/34/1072499434.db2.gz MQIHJTOJBQIPDI-YDZHTSKRSA-N -1 0 641.490 6.025 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409132701 1072502890 /nfs/dbraw/zinc/50/28/90/1072502890.db2.gz QXTJZCLJPZMUEU-WSDLNYQXSA-N -1 0 643.918 6.150 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409131395 1072509907 /nfs/dbraw/zinc/50/99/07/1072509907.db2.gz IXKNWUIYGNFTGN-WPWMEQJKSA-N -1 0 580.637 5.887 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409130823 1072513370 /nfs/dbraw/zinc/51/33/70/1072513370.db2.gz NNOHTCKCIZACQA-WPWMEQJKSA-N -1 0 553.659 6.260 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409130603 1072513958 /nfs/dbraw/zinc/51/39/58/1072513958.db2.gz WRDNELHAXAVYMX-SSDVNMTOSA-N -1 0 692.390 7.193 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409129895 1072517412 /nfs/dbraw/zinc/51/74/12/1072517412.db2.gz HOIHOFYTRBCKJC-YDZHTSKRSA-N -1 0 715.497 5.637 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409127542 1072530095 /nfs/dbraw/zinc/53/00/95/1072530095.db2.gz NSXDMVAEQSZWRS-LPYMAVHISA-N -1 0 603.886 6.685 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409127603 1072530598 /nfs/dbraw/zinc/53/05/98/1072530598.db2.gz OGPPFNUVNMAPMU-ZVHZXABRSA-N -1 0 637.527 6.195 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144290 1072536592 /nfs/dbraw/zinc/53/65/92/1072536592.db2.gz JGWNKVYZNGRRKH-FMCGGJTJSA-N -1 0 634.113 5.188 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409144273 1072536644 /nfs/dbraw/zinc/53/66/44/1072536644.db2.gz XRHKHLLTVKXDNB-FSJBWODESA-N -1 0 638.045 7.313 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000409350734 1072541726 /nfs/dbraw/zinc/54/17/26/1072541726.db2.gz SAXHAZOHTPNKLD-GIJQJNRQSA-N -1 0 510.807 7.011 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409350004 1072546627 /nfs/dbraw/zinc/54/66/27/1072546627.db2.gz WVHKRIBQBUSAGE-OVCLIPMQSA-N -1 0 529.231 5.081 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409142320 1072548175 /nfs/dbraw/zinc/54/81/75/1072548175.db2.gz YCCVVIXUTPNDJT-OEAKJJBVSA-N -1 0 643.114 5.274 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OC ZINC000409140624 1072558674 /nfs/dbraw/zinc/55/86/74/1072558674.db2.gz GYHYUIQXQGAILI-WSDLNYQXSA-N -1 0 627.463 5.635 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409140409 1072559027 /nfs/dbraw/zinc/55/90/27/1072559027.db2.gz DZWMMSXHNBHUGI-WSDLNYQXSA-N -1 0 583.468 6.340 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)o1 ZINC000409139906 1072562920 /nfs/dbraw/zinc/56/29/20/1072562920.db2.gz GHBMQBQGXZDOST-YVNNLAQVSA-N -1 0 522.648 5.402 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000409139127 1072566592 /nfs/dbraw/zinc/56/65/92/1072566592.db2.gz MSSGWASPPXVQCX-BUVRLJJBSA-N -1 0 534.996 5.378 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1OC ZINC000409138579 1072569989 /nfs/dbraw/zinc/56/99/89/1072569989.db2.gz DXXKWJRFKRPYGI-PXLXIMEGSA-N -1 0 552.986 5.518 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409138128 1072572685 /nfs/dbraw/zinc/57/26/85/1072572685.db2.gz YZWPKGZJKIZUOJ-HZHRSRAPSA-N -1 0 562.594 5.263 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000409365713 1072577635 /nfs/dbraw/zinc/57/76/35/1072577635.db2.gz WHEQVOYQFXLNJA-VXLYETTFSA-N -1 0 542.350 5.125 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1OC ZINC000409146234 1072582369 /nfs/dbraw/zinc/58/23/69/1072582369.db2.gz RTCJNGUJHJVZFF-IWIPYMOSSA-N -1 0 579.447 5.488 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(F)cc1 ZINC000409363196 1072590745 /nfs/dbraw/zinc/59/07/45/1072590745.db2.gz KELSGDDJCVEJFD-ZDLGFXPLSA-N -1 0 562.768 5.470 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(F)cc1 ZINC000409363282 1072591147 /nfs/dbraw/zinc/59/11/47/1072591147.db2.gz LGCNSWCFIPGPNB-ZDLGFXPLSA-N -1 0 607.219 5.579 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154570 1072604939 /nfs/dbraw/zinc/60/49/39/1072604939.db2.gz OOQIAZAFCSYHQH-MVYHEMRASA-N -1 0 589.313 8.177 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154565 1072604990 /nfs/dbraw/zinc/60/49/90/1072604990.db2.gz OOQIAZAFCSYHQH-DGUDUIIESA-N -1 0 589.313 8.177 40 10 KKCBRM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409152175 1072620869 /nfs/dbraw/zinc/62/08/69/1072620869.db2.gz JQMQJPDLQHPENN-WSDLNYQXSA-N -1 0 603.436 6.193 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409376775 1072627280 /nfs/dbraw/zinc/62/72/80/1072627280.db2.gz CVXAQPDXXXCXPH-LPYMAVHISA-N -1 0 644.385 6.583 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)cc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409375614 1072631628 /nfs/dbraw/zinc/63/16/28/1072631628.db2.gz NAQCJJYDAMIHIF-CIAFOILYSA-N -1 0 585.907 6.084 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)c([O-])c(I)c3)SC2=S)c(Cl)c1 ZINC000409149915 1072632024 /nfs/dbraw/zinc/63/20/24/1072632024.db2.gz VJZKXUWYPPCXSY-VGOFMYFVSA-N -1 0 656.692 5.109 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409374027 1072639882 /nfs/dbraw/zinc/63/98/82/1072639882.db2.gz XYAYZTIXDRSMQH-UUYOSTAYSA-N -1 0 561.388 5.445 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148940 1072640008 /nfs/dbraw/zinc/64/00/08/1072640008.db2.gz UUBOPFTVPBWJNF-OEAKJJBVSA-N -1 0 734.565 5.225 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409373367 1072642228 /nfs/dbraw/zinc/64/22/28/1072642228.db2.gz IAECMCYTYABDFQ-LICLKQGHSA-N -1 0 550.192 5.590 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409373333 1072642345 /nfs/dbraw/zinc/64/23/45/1072642345.db2.gz HBBOFKSJCGRYHD-OEAKJJBVSA-N -1 0 531.362 5.436 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409372574 1072644961 /nfs/dbraw/zinc/64/49/61/1072644961.db2.gz LUSHCVVCNGWLIF-WSDLNYQXSA-N -1 0 561.388 5.445 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409369434 1072659781 /nfs/dbraw/zinc/65/97/81/1072659781.db2.gz BSFOAULWMXIJIP-UNOMPAQXSA-N -1 0 656.461 5.078 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409378857 1072673071 /nfs/dbraw/zinc/67/30/71/1072673071.db2.gz SMQCIBJEMZIWRN-WOJGMQOQSA-N -1 0 598.837 5.103 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409378930 1072674103 /nfs/dbraw/zinc/67/41/03/1072674103.db2.gz SKXMJSHJJWUOLJ-LFVJCYFKSA-N -1 0 500.620 5.366 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409378768 1072674601 /nfs/dbraw/zinc/67/46/01/1072674601.db2.gz RLSUHOYUNGVFRY-LPYMAVHISA-N -1 0 610.486 5.729 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000409378522 1072675192 /nfs/dbraw/zinc/67/51/92/1072675192.db2.gz PPVMVUOOTFWJMW-VCHYOVAHSA-N -1 0 628.863 5.112 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409387158 1072682055 /nfs/dbraw/zinc/68/20/55/1072682055.db2.gz NYEJZRBSOMMZSY-BOPFTXTBSA-N -1 0 584.412 5.003 40 10 KKCBRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)ccc1OC(C)=O ZINC000409383161 1072704680 /nfs/dbraw/zinc/70/46/80/1072704680.db2.gz UXKKNPKVNRZHBI-CPFVZISPSA-N -1 0 713.652 5.444 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409382688 1072706008 /nfs/dbraw/zinc/70/60/08/1072706008.db2.gz PHUHGMUZRDUBMQ-USHMODERSA-N -1 0 505.643 6.155 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1OCC ZINC000409382521 1072707111 /nfs/dbraw/zinc/70/71/11/1072707111.db2.gz OGBUGQMDACICRN-KGENOOAVSA-N -1 0 682.524 5.338 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409381863 1072709500 /nfs/dbraw/zinc/70/95/00/1072709500.db2.gz WWJAOUZZHIUDPG-SRZZPIQSSA-N -1 0 628.863 5.194 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409381488 1072711258 /nfs/dbraw/zinc/71/12/58/1072711258.db2.gz MQTVSUUUVHZEGY-YBEGLDIGSA-N -1 0 616.827 5.243 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409380686 1072715965 /nfs/dbraw/zinc/71/59/65/1072715965.db2.gz AYFWWICFXHXLGN-NVMNQCDNSA-N -1 0 649.281 5.457 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409380635 1072717285 /nfs/dbraw/zinc/71/72/85/1072717285.db2.gz ORYWRLNGFBJMGL-WGOQTCKBSA-N -1 0 615.549 6.974 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C(=O)[N-]C1=S ZINC000409174874 1072719257 /nfs/dbraw/zinc/71/92/57/1072719257.db2.gz UVVLAMVLSDJBNC-MFKUBSTISA-N -1 0 606.531 6.820 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409380027 1072720205 /nfs/dbraw/zinc/72/02/05/1072720205.db2.gz GBYKSHLNYYXBHE-LPYMAVHISA-N -1 0 630.479 5.802 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1F ZINC000409379619 1072722235 /nfs/dbraw/zinc/72/22/35/1072722235.db2.gz YQMRXEJRUQNKOC-YBEGLDIGSA-N -1 0 607.219 5.579 40 10 KKCBRM COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)o1 ZINC000409392859 1072725764 /nfs/dbraw/zinc/72/57/64/1072725764.db2.gz OATFVVNTAXBAMV-VCHYOVAHSA-N -1 0 554.411 5.207 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)[N-]C1=S ZINC000409173762 1072726375 /nfs/dbraw/zinc/72/63/75/1072726375.db2.gz RMOYFEIICJSWPR-FOWTUZBSSA-N -1 0 500.407 5.241 40 10 KKCBRM COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)o1 ZINC000409391946 1072726675 /nfs/dbraw/zinc/72/66/75/1072726675.db2.gz KLELVUURUVUZSN-GZTJUZNOSA-N -1 0 554.411 5.207 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409389337 1072732918 /nfs/dbraw/zinc/73/29/18/1072732918.db2.gz YAAYAFADSANZKK-VCHYOVAHSA-N -1 0 616.827 5.324 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409389295 1072733888 /nfs/dbraw/zinc/73/38/88/1072733888.db2.gz XUEONKLQRMCRTG-QRVIBDJDSA-N -1 0 578.021 5.048 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409388816 1072736178 /nfs/dbraw/zinc/73/61/78/1072736178.db2.gz WLBSWJGWIDZJEG-ITYLOYPMSA-N -1 0 656.489 5.721 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000409387840 1072740340 /nfs/dbraw/zinc/74/03/40/1072740340.db2.gz RZZIRJMINZMNPX-OEAKJJBVSA-N -1 0 622.541 5.567 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(C)c1 ZINC000409400565 1072745195 /nfs/dbraw/zinc/74/51/95/1072745195.db2.gz UCKUCASZBXOCJB-UNOMPAQXSA-N -1 0 527.802 5.460 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409400102 1072746781 /nfs/dbraw/zinc/74/67/81/1072746781.db2.gz OVJHPNKBKVPNFF-ODLFYWEKSA-N -1 0 542.227 5.560 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc2ccccc21 ZINC000409399777 1072748114 /nfs/dbraw/zinc/74/81/14/1072748114.db2.gz MEYIUPOJLNUKGV-HMAPJEAMSA-N -1 0 563.835 6.305 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl ZINC000409399809 1072748233 /nfs/dbraw/zinc/74/82/33/1072748233.db2.gz MVPLFPWMFBIJDM-NVMNQCDNSA-N -1 0 518.740 5.595 40 10 KKCBRM O=C(COc1c(I)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I)Nc1ccc(Cl)cc1 ZINC000409399467 1072749660 /nfs/dbraw/zinc/74/96/60/1072749660.db2.gz IWPACMWMHWXABS-ZDLGFXPLSA-N -1 0 699.670 5.028 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409399585 1072749693 /nfs/dbraw/zinc/74/96/93/1072749693.db2.gz JYNSUFSKBNQNLG-ZDLGFXPLSA-N -1 0 605.670 5.344 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409399109 1072750598 /nfs/dbraw/zinc/75/05/98/1072750598.db2.gz FWTHJFHTTRVGJI-ZDLGFXPLSA-N -1 0 641.143 6.958 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409398773 1072751609 /nfs/dbraw/zinc/75/16/09/1072751609.db2.gz CNSXTPGGTJKQPQ-YVLHZVERSA-N -1 0 552.639 6.450 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Br)cc1 ZINC000409401338 1072754437 /nfs/dbraw/zinc/75/44/37/1072754437.db2.gz XCAFJAHROTVLEI-WQRHYEAKSA-N -1 0 637.122 6.023 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)c(Cl)c1 ZINC000409407129 1072754873 /nfs/dbraw/zinc/75/48/73/1072754873.db2.gz KZTXAOXAQKBUQJ-ZDLGFXPLSA-N -1 0 562.645 5.905 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000409406715 1072756702 /nfs/dbraw/zinc/75/67/02/1072756702.db2.gz KUZATQVQQUWHMY-UNOMPAQXSA-N -1 0 511.347 5.027 40 10 KKCBRM COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409406551 1072757614 /nfs/dbraw/zinc/75/76/14/1072757614.db2.gz KKKZMXVDLJIIJT-GRSHGNNSSA-N -1 0 637.122 6.023 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186258 1072762642 /nfs/dbraw/zinc/76/26/42/1072762642.db2.gz ZOILNEACLRHTDS-XTZMQRMWSA-N -1 0 657.748 7.038 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186283 1072762664 /nfs/dbraw/zinc/76/26/64/1072762664.db2.gz ZZBAGNDJKSNZTN-GGVRFBKHSA-N -1 0 632.569 7.092 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185957 1072765452 /nfs/dbraw/zinc/76/54/52/1072765452.db2.gz TWWJSXOKYLDDEG-VZLZMEMVSA-N -1 0 719.263 7.839 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409403631 1072769755 /nfs/dbraw/zinc/76/97/55/1072769755.db2.gz AGMQMVGSMDCVIS-UCQKPKSFSA-N -1 0 576.390 5.493 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409185348 1072770733 /nfs/dbraw/zinc/77/07/33/1072770733.db2.gz XQYQKVTZLAECHV-KEBDBYFISA-N -1 0 574.200 5.596 40 10 KKCBRM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 ZINC000409184177 1072778153 /nfs/dbraw/zinc/77/81/53/1072778153.db2.gz XSWYKAHYXINPRS-NHDPSOOVSA-N -1 0 510.955 5.590 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183356 1072783907 /nfs/dbraw/zinc/78/39/07/1072783907.db2.gz BLODFASNCBARAR-RQBSVBTHSA-N -1 0 855.605 8.882 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409400823 1072784748 /nfs/dbraw/zinc/78/47/48/1072784748.db2.gz UNKUUACJZSTMGK-ODLFYWEKSA-N -1 0 528.746 5.051 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182319 1072791414 /nfs/dbraw/zinc/79/14/14/1072791414.db2.gz KKGRLPBLOIQZRC-VRKORRMZSA-N -1 0 632.569 7.092 40 10 KKCBRM CCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000409409965 1072807608 /nfs/dbraw/zinc/80/76/08/1072807608.db2.gz SFDLRIMJJPFLMD-BWAHOGKJSA-N -1 0 514.578 5.510 40 10 KKCBRM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409177807 1072820295 /nfs/dbraw/zinc/82/02/95/1072820295.db2.gz IVTBRARLPAKLLB-SRZZPIQSSA-N -1 0 510.955 5.590 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409196242 1072833032 /nfs/dbraw/zinc/83/30/32/1072833032.db2.gz XYPZKRKDNGCSDX-WSDLNYQXSA-N -1 0 601.458 6.561 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409195003 1072839127 /nfs/dbraw/zinc/83/91/27/1072839127.db2.gz SAEVJUXYHUHUTN-ZVHZXABRSA-N -1 0 671.972 6.930 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409193641 1072849737 /nfs/dbraw/zinc/84/97/37/1072849737.db2.gz KEZNVIQOPXGUJV-VUTHCHCSSA-N -1 0 608.691 6.667 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1OCC ZINC000409192726 1072853919 /nfs/dbraw/zinc/85/39/19/1072853919.db2.gz ZUBYJTUYGDZHEY-HKOYGPOVSA-N -1 0 514.578 5.115 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409192739 1072854129 /nfs/dbraw/zinc/85/41/29/1072854129.db2.gz AFGQUACDZFSNEH-HYARGMPZSA-N -1 0 706.815 7.294 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409191826 1072859708 /nfs/dbraw/zinc/85/97/08/1072859708.db2.gz ODQHQCSNGJAJTH-OEAKJJBVSA-N -1 0 617.913 7.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OCC ZINC000409191306 1072864136 /nfs/dbraw/zinc/86/41/36/1072864136.db2.gz UZBWENAXYCPHTC-LFVJCYFKSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409191014 1072866230 /nfs/dbraw/zinc/86/62/30/1072866230.db2.gz YKUKEHCMUSVPAT-TURZUDJPSA-N -1 0 599.083 6.922 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409190567 1072869547 /nfs/dbraw/zinc/86/95/47/1072869547.db2.gz ZQMIHJQWZIYVPF-OEAKJJBVSA-N -1 0 706.815 7.294 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409190398 1072870235 /nfs/dbraw/zinc/87/02/35/1072870235.db2.gz YHNHSESEWGCJSU-LFVJCYFKSA-N -1 0 611.464 6.017 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189854 1072874332 /nfs/dbraw/zinc/87/43/32/1072874332.db2.gz UGKUVDPBTJEKHE-YDZHTSKRSA-N -1 0 624.046 5.685 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409188350 1072882989 /nfs/dbraw/zinc/88/29/89/1072882989.db2.gz GZGVTBAAURUCSG-TURZUDJPSA-N -1 0 643.534 7.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409188185 1072883484 /nfs/dbraw/zinc/88/34/84/1072883484.db2.gz XHBVPZMPVXPYOZ-UDWIEESQSA-N -1 0 556.210 5.457 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c2C)cc1 ZINC000409188039 1072884246 /nfs/dbraw/zinc/88/42/46/1072884246.db2.gz WODVAARZTTXPMQ-LPYMAVHISA-N -1 0 524.440 5.087 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226951 1072971478 /nfs/dbraw/zinc/97/14/78/1072971478.db2.gz YBHPZCZYAODEAW-KEBDBYFISA-N -1 0 647.309 6.147 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409226702 1072973024 /nfs/dbraw/zinc/97/30/24/1072973024.db2.gz RKNVPNYVOXCFAO-FYJGNVAPSA-N -1 0 598.837 5.185 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409226348 1072974987 /nfs/dbraw/zinc/97/49/87/1072974987.db2.gz VFWKZLAZPOKJRB-DJKKODMXSA-N -1 0 535.336 5.766 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c1 ZINC000409226281 1072975060 /nfs/dbraw/zinc/97/50/60/1072975060.db2.gz MRNGGYPLUDGCSB-LICLKQGHSA-N -1 0 547.883 6.295 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409225887 1072976941 /nfs/dbraw/zinc/97/69/41/1072976941.db2.gz SFHGOKVNGVDNFT-HZHRSRAPSA-N -1 0 612.466 5.865 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c(Br)c1 ZINC000409225271 1072979258 /nfs/dbraw/zinc/97/92/58/1072979258.db2.gz MOJYFXSCVUCHFV-XNTDXEJSSA-N -1 0 536.234 6.156 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1C ZINC000409225277 1072979807 /nfs/dbraw/zinc/97/98/07/1072979807.db2.gz MQFVRMXMFMDMJP-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409224428 1072983911 /nfs/dbraw/zinc/98/39/11/1072983911.db2.gz LJMLEPAGORKXIB-RGVLZGJSSA-N -1 0 589.229 5.440 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409224120 1072984855 /nfs/dbraw/zinc/98/48/55/1072984855.db2.gz KPIZHXYNDZVVTB-KEBDBYFISA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1C ZINC000409223788 1072986305 /nfs/dbraw/zinc/98/63/05/1072986305.db2.gz HUFROEQNECJRPH-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223716 1072987299 /nfs/dbraw/zinc/98/72/99/1072987299.db2.gz IBYYWTIDAZDVGB-CIAFOILYSA-N -1 0 568.413 5.384 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222543 1072993206 /nfs/dbraw/zinc/99/32/06/1072993206.db2.gz DSVRBBCPIFSDMT-CVKSISIWSA-N -1 0 646.483 6.265 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409222198 1072994600 /nfs/dbraw/zinc/99/46/00/1072994600.db2.gz BAHXHYAFZFLKPG-UDWIEESQSA-N -1 0 589.229 5.440 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409221728 1072996974 /nfs/dbraw/zinc/99/69/74/1072996974.db2.gz AGTVWYQKVMXEDJ-HYARGMPZSA-N -1 0 622.472 5.239 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409221713 1072997040 /nfs/dbraw/zinc/99/70/40/1072997040.db2.gz VABGHJFCUIMEGS-MHWRWJLKSA-N -1 0 502.335 5.301 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409220261 1073005071 /nfs/dbraw/zinc/00/50/71/1073005071.db2.gz VPZLQFLHNVKENW-FYJGNVAPSA-N -1 0 568.811 5.095 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409220375 1073005511 /nfs/dbraw/zinc/00/55/11/1073005511.db2.gz YELSWCPDWMXTKS-KEBDBYFISA-N -1 0 588.831 5.729 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409220333 1073005579 /nfs/dbraw/zinc/00/55/79/1073005579.db2.gz XAYROVDPOIFUCZ-CIAFOILYSA-N -1 0 646.911 6.518 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409219341 1073009149 /nfs/dbraw/zinc/00/91/49/1073009149.db2.gz PSFWIDJIUBWIJR-YBFXNURJSA-N -1 0 544.778 5.331 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 ZINC000409219104 1073009729 /nfs/dbraw/zinc/00/97/29/1073009729.db2.gz NGFZXLIBNVWSOH-VXLYETTFSA-N -1 0 631.252 5.343 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409218414 1073013046 /nfs/dbraw/zinc/01/30/46/1073013046.db2.gz IRCKHPYHRMIKFO-RQZCQDPDSA-N -1 0 593.250 6.293 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409227531 1073030720 /nfs/dbraw/zinc/03/07/20/1073030720.db2.gz ZMEVJVPKJLXPIA-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409227370 1073032523 /nfs/dbraw/zinc/03/25/23/1073032523.db2.gz ZQGKKNKLDOURJR-FRKPEAEDSA-N -1 0 613.668 6.638 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409237181 1073032614 /nfs/dbraw/zinc/03/26/14/1073032614.db2.gz JWLOWOUVTIVMAH-GZTJUZNOSA-N -1 0 521.314 5.559 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409236802 1073035755 /nfs/dbraw/zinc/03/57/55/1073035755.db2.gz HPARRLVQHYPSSX-ULJHMMPZSA-N -1 0 512.034 6.246 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409235393 1073045532 /nfs/dbraw/zinc/04/55/32/1073045532.db2.gz PBTZVRLDVTXQAK-WPWMEQJKSA-N -1 0 553.659 6.260 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)[N-]C2=S)cc1Cl ZINC000409232803 1073058634 /nfs/dbraw/zinc/05/86/34/1073058634.db2.gz QENFBURUUIYWGH-WOJGMQOQSA-N -1 0 500.805 5.033 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409232884 1073058918 /nfs/dbraw/zinc/05/89/18/1073058918.db2.gz STIXMUPDCPBUCA-LFVJCYFKSA-N -1 0 560.050 6.297 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409246552 1073075900 /nfs/dbraw/zinc/07/59/00/1073075900.db2.gz CSFJUCOWPZYXNH-WGOQTCKBSA-N -1 0 574.464 6.955 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[N-]C2=S)c1 ZINC000409246793 1073075922 /nfs/dbraw/zinc/07/59/22/1073075922.db2.gz BGUGHPLWOVBCQG-BOPFTXTBSA-N -1 0 526.368 5.065 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O ZINC000409245931 1073079764 /nfs/dbraw/zinc/07/97/64/1073079764.db2.gz BACKOYNSTYXVLK-HFTWOUSFSA-N -1 0 598.615 6.785 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409245351 1073083605 /nfs/dbraw/zinc/08/36/05/1073083605.db2.gz RIIZLJOZJKLFHH-WSDLNYQXSA-N -1 0 511.569 5.870 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c1C)CCCC2 ZINC000409244815 1073086731 /nfs/dbraw/zinc/08/67/31/1073086731.db2.gz JBYLOTLJEMQRCF-LFVJCYFKSA-N -1 0 575.756 6.166 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409243694 1073091997 /nfs/dbraw/zinc/09/19/97/1073091997.db2.gz ZOOCNXGFUDJCEA-BKQORJHRSA-N -1 0 531.472 5.590 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409243053 1073094329 /nfs/dbraw/zinc/09/43/29/1073094329.db2.gz UYUGYJCAZGTHCO-JFLMPSFJSA-N -1 0 634.983 7.229 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(I)c(C)c3)c2C)C1=O ZINC000409243002 1073095253 /nfs/dbraw/zinc/09/52/53/1073095253.db2.gz UEJRHZUXBJANEP-ZHZULCJRSA-N -1 0 569.399 5.072 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409241742 1073099698 /nfs/dbraw/zinc/09/96/98/1073099698.db2.gz UKSWBGNJMQQNOE-PCLIKHOPSA-N -1 0 620.956 6.920 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409241478 1073101741 /nfs/dbraw/zinc/10/17/41/1073101741.db2.gz XULJGRPHRKSCQQ-CVKSISIWSA-N -1 0 590.532 7.120 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409240883 1073105192 /nfs/dbraw/zinc/10/51/92/1073105192.db2.gz QPLMHZJQUGHUOB-HMAPJEAMSA-N -1 0 534.410 5.423 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1 ZINC000409240349 1073109444 /nfs/dbraw/zinc/10/94/44/1073109444.db2.gz STVLPKOKLBLAKZ-LPYMAVHISA-N -1 0 541.551 5.121 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409239806 1073111411 /nfs/dbraw/zinc/11/14/11/1073111411.db2.gz FGJPQATXYHKNGH-UXHLAJHPSA-N -1 0 584.141 7.281 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000409239640 1073113793 /nfs/dbraw/zinc/11/37/93/1073113793.db2.gz ZUTMTPXBEWXULA-PCLIKHOPSA-N -1 0 519.988 6.471 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409237382 1073127089 /nfs/dbraw/zinc/12/70/89/1073127089.db2.gz IKCZADPKRGOJCV-BKUYFWCQSA-N -1 0 555.441 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409251193 1073128780 /nfs/dbraw/zinc/12/87/80/1073128780.db2.gz OTSSEIGGCSTSRN-RGVLZGJSSA-N -1 0 704.315 5.363 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000409251112 1073131249 /nfs/dbraw/zinc/13/12/49/1073131249.db2.gz OKXFYJRLKRRDLD-DJKKODMXSA-N -1 0 586.859 6.256 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000409250917 1073131892 /nfs/dbraw/zinc/13/18/92/1073131892.db2.gz NLAQXGYXFYGQCD-UDWIEESQSA-N -1 0 643.288 5.213 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OC ZINC000409250090 1073138080 /nfs/dbraw/zinc/13/80/80/1073138080.db2.gz LGIHTPDBMITNOK-OYKKKHCWSA-N -1 0 727.552 5.788 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)c2-c2ccccc2)cc1 ZINC000409250089 1073138094 /nfs/dbraw/zinc/13/80/94/1073138094.db2.gz MINKTLDWHCAVEG-HFTWOUSFSA-N -1 0 632.141 7.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409249448 1073141294 /nfs/dbraw/zinc/14/12/94/1073141294.db2.gz JDRULBLVWUOHJF-SRZZPIQSSA-N -1 0 687.918 5.952 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)cc1 ZINC000409249216 1073143714 /nfs/dbraw/zinc/14/37/14/1073143714.db2.gz MVPDLWRJVJUXKK-YDZHTSKRSA-N -1 0 562.573 5.439 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC ZINC000409248878 1073145289 /nfs/dbraw/zinc/14/52/89/1073145289.db2.gz HPYXYZCUCLMSQP-HAHDFKILSA-N -1 0 636.499 5.547 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)c(Br)c1O ZINC000409248967 1073145878 /nfs/dbraw/zinc/14/58/78/1073145878.db2.gz RUUONUBGAQCECS-WUXMJOGZSA-N -1 0 594.203 5.166 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000409248081 1073150928 /nfs/dbraw/zinc/15/09/28/1073150928.db2.gz FVMAGJCRYXIEHW-LPYMAVHISA-N -1 0 511.569 5.815 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000409247800 1073152992 /nfs/dbraw/zinc/15/29/92/1073152992.db2.gz BIGMCSYIRPTOAS-HZHRSRAPSA-N -1 0 592.048 5.520 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409247480 1073154532 /nfs/dbraw/zinc/15/45/32/1073154532.db2.gz CMDXZSUHILYPFM-BKUYFWCQSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409247329 1073154879 /nfs/dbraw/zinc/15/48/79/1073154879.db2.gz MWMVTFOSOJUNGA-WSDLNYQXSA-N -1 0 534.468 6.445 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OCC ZINC000409256606 1073155236 /nfs/dbraw/zinc/15/52/36/1073155236.db2.gz PQILWJJDANWUEK-OEAKJJBVSA-N -1 0 636.101 5.837 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OCC ZINC000409256976 1073158997 /nfs/dbraw/zinc/15/89/97/1073158997.db2.gz ONBHBKFCAUGWJQ-OEAKJJBVSA-N -1 0 727.552 5.788 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1 ZINC000409256498 1073160594 /nfs/dbraw/zinc/16/05/94/1073160594.db2.gz LREFDLSRZZGQPB-HYARGMPZSA-N -1 0 578.021 5.130 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1 ZINC000409256260 1073162751 /nfs/dbraw/zinc/16/27/51/1073162751.db2.gz LAHNKBVUNDSPCL-RGVLZGJSSA-N -1 0 657.315 5.521 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409255874 1073164467 /nfs/dbraw/zinc/16/44/67/1073164467.db2.gz LNVKJCPQMCFPEC-RQZCQDPDSA-N -1 0 666.255 5.291 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl ZINC000409255536 1073167769 /nfs/dbraw/zinc/16/77/69/1073167769.db2.gz HTIZCTPPHZOCKU-PDGQHHTCSA-N -1 0 589.229 5.440 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409254667 1073172325 /nfs/dbraw/zinc/17/23/25/1073172325.db2.gz ZWKRJBJYIQMEDT-UNOMPAQXSA-N -1 0 672.916 5.592 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1C ZINC000409254504 1073173637 /nfs/dbraw/zinc/17/36/37/1073173637.db2.gz IRQPDGJSFRVYAU-JAIQZWGSSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409254152 1073174966 /nfs/dbraw/zinc/17/49/66/1073174966.db2.gz HVXDHYNKTYVHSY-HZHRSRAPSA-N -1 0 680.552 6.028 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409253300 1073182040 /nfs/dbraw/zinc/18/20/40/1073182040.db2.gz FMGNXDPQUQKAGA-YDZHTSKRSA-N -1 0 761.997 6.523 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409252290 1073188706 /nfs/dbraw/zinc/18/87/06/1073188706.db2.gz XDKYWJUZOCCUEH-OGLMXYFKSA-N -1 0 553.659 6.260 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000409251916 1073189988 /nfs/dbraw/zinc/18/99/88/1073189988.db2.gz RBCOFAUXYBBWNM-VXLYETTFSA-N -1 0 514.434 5.549 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409251480 1073192646 /nfs/dbraw/zinc/19/26/46/1073192646.db2.gz QPPVIZCNTOHQSI-SRZZPIQSSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 ZINC000409251576 1073193019 /nfs/dbraw/zinc/19/30/19/1073193019.db2.gz PSIHNTWEXHRHDY-USHMODERSA-N -1 0 575.621 5.566 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409267188 1073197104 /nfs/dbraw/zinc/19/71/04/1073197104.db2.gz MGPFUFPVSGPWHX-LPYMAVHISA-N -1 0 568.413 5.384 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409267200 1073197142 /nfs/dbraw/zinc/19/71/42/1073197142.db2.gz TZISIFQBPYFDDG-FYJGNVAPSA-N -1 0 547.995 5.039 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409266891 1073198800 /nfs/dbraw/zinc/19/88/00/1073198800.db2.gz YWLWPYPGMNWEGK-HZHRSRAPSA-N -1 0 636.101 5.919 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1Cl ZINC000409266524 1073200176 /nfs/dbraw/zinc/20/01/76/1073200176.db2.gz ZKABRUGOTBLWII-MXAYSNPKSA-N -1 0 753.831 7.436 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409266592 1073201051 /nfs/dbraw/zinc/20/10/51/1073201051.db2.gz QFTSBWHYQGCYMM-YBEGLDIGSA-N -1 0 588.831 5.648 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409266638 1073201150 /nfs/dbraw/zinc/20/11/50/1073201150.db2.gz KOQRMLPBQTVPON-LPYMAVHISA-N -1 0 562.022 5.348 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1 ZINC000409266434 1073201856 /nfs/dbraw/zinc/20/18/56/1073201856.db2.gz YSFAXIGJUBMQAS-OEAKJJBVSA-N -1 0 683.499 5.389 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)cc3)C2=O)cc1OCC ZINC000409266220 1073202365 /nfs/dbraw/zinc/20/23/65/1073202365.db2.gz PWMVJRIPDWMHKE-CJLVFECKSA-N -1 0 578.021 5.211 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)c1 ZINC000409266128 1073203619 /nfs/dbraw/zinc/20/36/19/1073203619.db2.gz OVIYEHPRSHPWNS-GRSHGNNSSA-N -1 0 658.259 5.112 40 10 KKCBRM COc1ccc(CCN2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1OC ZINC000034795955 1073208349 /nfs/dbraw/zinc/20/83/49/1073208349.db2.gz MSZFFQVOACJUPL-BWAHOGKJSA-N -1 0 525.605 5.201 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409265103 1073208378 /nfs/dbraw/zinc/20/83/78/1073208378.db2.gz NQWJSWCNKPOPCC-ODLFYWEKSA-N -1 0 540.428 5.151 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000409264620 1073210413 /nfs/dbraw/zinc/21/04/13/1073210413.db2.gz QILXUDKNCCSXGU-NDENLUEZSA-N -1 0 643.357 5.677 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409264880 1073210439 /nfs/dbraw/zinc/21/04/39/1073210439.db2.gz MNHIYCOINDKXSL-LZYBPNLTSA-N -1 0 668.125 6.202 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1Cl ZINC000409264690 1073211256 /nfs/dbraw/zinc/21/12/56/1073211256.db2.gz RDXMQUWIQPRGHZ-GRSHGNNSSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1Cl ZINC000409264600 1073212005 /nfs/dbraw/zinc/21/20/05/1073212005.db2.gz MMFCKNJRSCWDGB-YBFXNURJSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c(C)c1 ZINC000409263502 1073217658 /nfs/dbraw/zinc/21/76/58/1073217658.db2.gz HFRPXEUYTZWYJV-VXLYETTFSA-N -1 0 706.185 6.275 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000409263550 1073217711 /nfs/dbraw/zinc/21/77/11/1073217711.db2.gz HOUXJUJBOMDESB-CPNJWEJPSA-N -1 0 598.837 5.185 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)C1=O ZINC000409263428 1073218411 /nfs/dbraw/zinc/21/84/11/1073218411.db2.gz MQNPEEHZPCYHQL-WQRHYEAKSA-N -1 0 647.707 5.857 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1 ZINC000409262794 1073220309 /nfs/dbraw/zinc/22/03/09/1073220309.db2.gz HHSLWUBLMKNVTO-OEAKJJBVSA-N -1 0 683.499 5.389 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409262314 1073221881 /nfs/dbraw/zinc/22/18/81/1073221881.db2.gz HRGRCRXOAQJLBJ-NVNXTCNLSA-N -1 0 653.700 6.102 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409262359 1073222347 /nfs/dbraw/zinc/22/23/47/1073222347.db2.gz HBCUFASNEULWBH-STZFKDTASA-N -1 0 562.022 5.348 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409262194 1073223117 /nfs/dbraw/zinc/22/31/17/1073223117.db2.gz FZALUCPTQUQEOA-NVMNQCDNSA-N -1 0 647.707 5.857 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409262209 1073223124 /nfs/dbraw/zinc/22/31/24/1073223124.db2.gz DGYLYRDSNZWXHG-IWIPYMOSSA-N -1 0 737.934 6.216 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409261789 1073225803 /nfs/dbraw/zinc/22/58/03/1073225803.db2.gz BHLKJWHAVPUOSY-AUWJEWJLSA-N -1 0 702.570 6.856 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409260526 1073232699 /nfs/dbraw/zinc/23/26/99/1073232699.db2.gz RNKPJNAHERBIAC-NVMNQCDNSA-N -1 0 694.309 5.907 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000409259550 1073239006 /nfs/dbraw/zinc/23/90/06/1073239006.db2.gz ANOBARXPCVKVSQ-KEBDBYFISA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1Cl ZINC000409259649 1073239286 /nfs/dbraw/zinc/23/92/86/1073239286.db2.gz BXSBRCMLRYOUHU-YBFXNURJSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409258953 1073242377 /nfs/dbraw/zinc/24/23/77/1073242377.db2.gz WEUVVSVQWJNBMS-RQZCQDPDSA-N -1 0 574.804 5.339 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409259017 1073242715 /nfs/dbraw/zinc/24/27/15/1073242715.db2.gz YURGCYHSBHEWCI-OEAKJJBVSA-N -1 0 622.074 5.528 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1OC ZINC000409258773 1073244621 /nfs/dbraw/zinc/24/46/21/1073244621.db2.gz VWTVYLZBILRUBL-MTJSOVHGSA-N -1 0 715.395 6.310 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258086 1073247664 /nfs/dbraw/zinc/24/76/64/1073247664.db2.gz TUMHYMLCMDYJMF-JMIUGGIZSA-N -1 0 694.309 5.989 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1 ZINC000409257995 1073248789 /nfs/dbraw/zinc/24/87/89/1073248789.db2.gz SKOUVGGYMFBRGI-CIAFOILYSA-N -1 0 671.342 5.911 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1 ZINC000409257783 1073249221 /nfs/dbraw/zinc/24/92/21/1073249221.db2.gz QESOJYUIOWGFHP-OCKHKDLRSA-N -1 0 672.286 5.421 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409257691 1073250386 /nfs/dbraw/zinc/25/03/86/1073250386.db2.gz RVEZKHCFGZLDCB-MOSHPQCFSA-N -1 0 594.487 5.005 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409272693 1073252957 /nfs/dbraw/zinc/25/29/57/1073252957.db2.gz RPOCAZDNLYEPNS-GRSHGNNSSA-N -1 0 668.125 6.202 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409272772 1073253744 /nfs/dbraw/zinc/25/37/44/1073253744.db2.gz SHJANCNCBKYEJH-MIXAMLLLSA-N -1 0 605.647 5.575 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OC ZINC000409272493 1073256176 /nfs/dbraw/zinc/25/61/76/1073256176.db2.gz QQUAWTOKXIRKLS-XKZIYDEJSA-N -1 0 713.525 5.398 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409271510 1073262232 /nfs/dbraw/zinc/26/22/32/1073262232.db2.gz LUXPMHRNMNXJFM-BKUYFWCQSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 ZINC000409270662 1073268845 /nfs/dbraw/zinc/26/88/45/1073268845.db2.gz GUUNJJGFXCVCOS-CIAFOILYSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409270687 1073269302 /nfs/dbraw/zinc/26/93/02/1073269302.db2.gz HCDRUULAPSVKRX-WQRHYEAKSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1Cl ZINC000409269937 1073273260 /nfs/dbraw/zinc/27/32/60/1073273260.db2.gz BIUNXRXPTRFPSW-ZDLGFXPLSA-N -1 0 617.283 6.057 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409269722 1073276454 /nfs/dbraw/zinc/27/64/54/1073276454.db2.gz MCRWLNKKMXKWRH-ITYLOYPMSA-N -1 0 626.065 6.002 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409269206 1073279456 /nfs/dbraw/zinc/27/94/56/1073279456.db2.gz HBAFTUUFROGKLH-NDENLUEZSA-N -1 0 626.891 5.802 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)c1 ZINC000409269270 1073279754 /nfs/dbraw/zinc/27/97/54/1073279754.db2.gz AKGYUUVKGVTCMF-IUXPMGMMSA-N -1 0 536.871 5.391 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1 ZINC000409268797 1073282451 /nfs/dbraw/zinc/28/24/51/1073282451.db2.gz AQDYNOGPYAFCAL-CIAFOILYSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1C ZINC000409268603 1073282866 /nfs/dbraw/zinc/28/28/66/1073282866.db2.gz WLAYMVGXKOGVPL-ZDLGFXPLSA-N -1 0 617.283 6.057 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409268491 1073284026 /nfs/dbraw/zinc/28/40/26/1073284026.db2.gz UMTNRDDVSAVFLZ-RHANQZHGSA-N -1 0 654.119 6.618 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1OC ZINC000409268366 1073285135 /nfs/dbraw/zinc/28/51/35/1073285135.db2.gz ZFTACSNYMCCYGZ-HMAPJEAMSA-N -1 0 622.074 5.528 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1C ZINC000409268177 1073285555 /nfs/dbraw/zinc/28/55/55/1073285555.db2.gz RCYQJKSMAGJDCU-IUXPMGMMSA-N -1 0 696.179 6.819 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1C ZINC000409268261 1073286224 /nfs/dbraw/zinc/28/62/24/1073286224.db2.gz YQWNSBANRNTVMW-KEBDBYFISA-N -1 0 645.279 5.651 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409268031 1073286730 /nfs/dbraw/zinc/28/67/30/1073286730.db2.gz YWGFSHWBFQWRNU-VCHYOVAHSA-N -1 0 603.256 5.748 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1OCC ZINC000409267667 1073289152 /nfs/dbraw/zinc/28/91/52/1073289152.db2.gz VQJLYCBRJIYNRS-LPYMAVHISA-N -1 0 729.422 6.700 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 ZINC000409267311 1073290281 /nfs/dbraw/zinc/29/02/81/1073290281.db2.gz UVVAYRUWDCSHGC-WSDLNYQXSA-N -1 0 671.342 5.911 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409273326 1073334419 /nfs/dbraw/zinc/33/44/19/1073334419.db2.gz XEBLFEKEXSLCKG-VCHYOVAHSA-N -1 0 694.309 5.989 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409272839 1073336048 /nfs/dbraw/zinc/33/60/48/1073336048.db2.gz SUCLDHZBSUYSLF-JMIUGGIZSA-N -1 0 658.259 5.112 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409050058 195498478 /nfs/dbraw/zinc/49/84/78/195498478.db2.gz ZSQJSZQWYAUKFN-MHWRWJLKSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000002248901 551800875 /nfs/dbraw/zinc/80/08/75/551800875.db2.gz GFMCYRAEMAYUJJ-SRZZPIQSSA-N -1 0 524.791 6.316 40 10 KKCBRM O=C(Nc1ccccc1/N=N\c1ccc(S(=O)(=O)[O-])cc1NC(=O)c1ccccc1)c1ccccc1 ZINC000003845322 552420318 /nfs/dbraw/zinc/42/03/18/552420318.db2.gz JHFFAPSGEOEEOD-FLWNBWAVSA-N -1 0 500.536 5.853 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000006906927 552978717 /nfs/dbraw/zinc/97/87/17/552978717.db2.gz XYKLZZZAUUXRNK-UDWIEESQSA-N -1 0 586.236 5.466 40 10 KKCBRM COc1cc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)ccc1OCc1ccccc1Cl ZINC000008821773 553156086 /nfs/dbraw/zinc/15/60/86/553156086.db2.gz BMMZAQWLPZWHGD-FMCGGJTJSA-N -1 0 508.983 6.017 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(C=C3SC(=S)N(NC(=O)NC4CCCCC4)C3=O)o2)ccc1Cl ZINC000009235655 553225452 /nfs/dbraw/zinc/22/54/52/553225452.db2.gz TUQSNDRJDBGDFS-WOJGMQOQSA-N -1 0 506.005 5.046 40 10 KKCBRM CCOC(=O)c1c(CSc2ccccc2)oc2cc(Br)c([O-])c(CN3CCOCC3)c21 ZINC000015079585 553527395 /nfs/dbraw/zinc/52/73/95/553527395.db2.gz HLHBZJMXQAJZRL-UHFFFAOYSA-N -1 0 506.418 5.202 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000016312240 553560015 /nfs/dbraw/zinc/56/00/15/553560015.db2.gz UCCOGRKADIIXEI-XYGWBWBKSA-N -1 0 512.610 5.900 40 10 KKCBRM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(OC)cc2OC)cc1 ZINC000020288717 553633699 /nfs/dbraw/zinc/63/36/99/553633699.db2.gz QJAUFXXBPVKLNL-JLPGSUDCSA-N -1 0 500.580 5.459 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000026608504 553819750 /nfs/dbraw/zinc/81/97/50/553819750.db2.gz NYYYVEMEXCWWOD-PXLXIMEGSA-N -1 0 506.986 5.275 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000097958089 553851143 /nfs/dbraw/zinc/85/11/43/553851143.db2.gz GGOPJZDMFDWAIM-HYARGMPZSA-N -1 0 536.968 5.630 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097965015 553902269 /nfs/dbraw/zinc/90/22/69/553902269.db2.gz RSIRWDOONDKOQZ-ONUIUJJFSA-N -1 0 609.506 8.014 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000097972334 553966582 /nfs/dbraw/zinc/96/65/82/553966582.db2.gz GZFHRHALNDMUIE-YBFXNURJSA-N -1 0 527.360 6.096 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000033863169 553975377 /nfs/dbraw/zinc/97/53/77/553975377.db2.gz MNXULLLGUGCAEA-UNOMPAQXSA-N -1 0 511.347 5.027 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000100055416 554196159 /nfs/dbraw/zinc/19/61/59/554196159.db2.gz JIDGAHJLTJHPCJ-XDHOZWIPSA-N -1 0 572.278 5.622 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000100221080 554251740 /nfs/dbraw/zinc/25/17/40/554251740.db2.gz USCSOQWYYAMWJP-SVXDAGRPSA-N -1 0 621.690 5.180 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)c(Br)c(Br)c1OCC ZINC000100230553 554256432 /nfs/dbraw/zinc/25/64/32/554256432.db2.gz MYEMJTLJXLYYHF-MHWRWJLKSA-N -1 0 552.219 5.513 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100230470 554256459 /nfs/dbraw/zinc/25/64/59/554256459.db2.gz LLAOQQMZTRSREC-UNOMPAQXSA-N -1 0 571.880 5.912 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000100241235 554260187 /nfs/dbraw/zinc/26/01/87/554260187.db2.gz NYJIYYGRHPYGII-UCQKPKSFSA-N -1 0 579.447 5.800 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000100241265 554260257 /nfs/dbraw/zinc/26/02/57/554260257.db2.gz RXDVMAHQZXSOKX-HMAPJEAMSA-N -1 0 565.420 5.492 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000100251929 554262998 /nfs/dbraw/zinc/26/29/98/554262998.db2.gz SIMNUWALCDXBBG-JJFYIABZSA-N -1 0 535.438 5.592 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000100296528 554288843 /nfs/dbraw/zinc/28/88/43/554288843.db2.gz KAFXOBFTBGOVCL-HMAPJEAMSA-N -1 0 523.501 5.354 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000100320432 554304890 /nfs/dbraw/zinc/30/48/90/554304890.db2.gz XCRPSUBTKAHXEG-YBFXNURJSA-N -1 0 586.236 5.466 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100320300 554304914 /nfs/dbraw/zinc/30/49/14/554304914.db2.gz OADFGRXAZHAKMZ-DJKKODMXSA-N -1 0 590.257 6.318 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100320751 554305143 /nfs/dbraw/zinc/30/51/43/554305143.db2.gz UETUSMIDMJBAPV-WQRHYEAKSA-N -1 0 541.785 5.357 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000100343535 554329269 /nfs/dbraw/zinc/32/92/69/554329269.db2.gz RZHIXONLDHEHTO-VXLYETTFSA-N -1 0 517.346 5.627 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000100344869 554329709 /nfs/dbraw/zinc/32/97/09/554329709.db2.gz VVJUTZVIWJDKNK-HZHRSRAPSA-N -1 0 543.442 6.013 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000100345615 554329891 /nfs/dbraw/zinc/32/98/91/554329891.db2.gz ZLPXLQVYYGBXHP-XYGWBWBKSA-N -1 0 524.598 5.267 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000100345052 554329910 /nfs/dbraw/zinc/32/99/10/554329910.db2.gz YGXNYLWLCWCAHH-ODLFYWEKSA-N -1 0 571.811 5.365 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000100345041 554329935 /nfs/dbraw/zinc/32/99/35/554329935.db2.gz NIWDFTBCLNMBPB-DJKKODMXSA-N -1 0 606.256 6.019 40 10 KKCBRM CN(C)c1ccc([C@@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000100361790 554345960 /nfs/dbraw/zinc/34/59/60/554345960.db2.gz ASFOZHWZNYVFOK-GDLZYMKVSA-N -1 0 517.629 6.463 40 10 KKCBRM O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000058847802 554367287 /nfs/dbraw/zinc/36/72/87/554367287.db2.gz DTMZXFNYBWVUAW-SRGWNRLKSA-N -1 0 515.418 6.319 40 10 KKCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847866 554367376 /nfs/dbraw/zinc/36/73/76/554367376.db2.gz GERKHRLJIJXWFS-YZUZCNPQSA-N -1 0 515.418 6.319 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058849638 554369108 /nfs/dbraw/zinc/36/91/08/554369108.db2.gz CGSXUBXYOCUMNH-WZOHSFFVSA-N -1 0 501.435 6.629 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058849872 554369447 /nfs/dbraw/zinc/36/94/47/554369447.db2.gz HOYZCNMNRDHAAT-GLDPYIMESA-N -1 0 515.418 6.319 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000059103762 554379094 /nfs/dbraw/zinc/37/90/94/554379094.db2.gz MHOVQZPOSDYZLJ-NDENLUEZSA-N -1 0 527.415 5.140 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O[C@H](C)CC)c(OCC)c3)C2=O)c1 ZINC000059104117 554379498 /nfs/dbraw/zinc/37/94/98/554379498.db2.gz OBSLPEQSBXQWHU-PUMYGXPMSA-N -1 0 531.005 6.220 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000059135664 554381801 /nfs/dbraw/zinc/38/18/01/554381801.db2.gz RFSWOWABZJGJGD-XDHOZWIPSA-N -1 0 513.294 5.813 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000059135666 554381854 /nfs/dbraw/zinc/38/18/54/554381854.db2.gz OUYZLOJICYDJLX-UDWIEESQSA-N -1 0 513.294 5.813 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1 ZINC000059135665 554381895 /nfs/dbraw/zinc/38/18/95/554381895.db2.gz GDACZYLLGAZZPU-UDWIEESQSA-N -1 0 513.294 5.813 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 ZINC000059139146 554383014 /nfs/dbraw/zinc/38/30/14/554383014.db2.gz XHKIAXDPTANUEW-KGENOOAVSA-N -1 0 512.566 5.399 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000059198304 554384621 /nfs/dbraw/zinc/38/46/21/554384621.db2.gz NOTPDCGOXWFJRR-GDNBJRDFSA-N -1 0 506.139 6.523 40 10 KKCBRM 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40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OC ZINC000059862383 554456692 /nfs/dbraw/zinc/45/66/92/554456692.db2.gz MNRFLRKJFSEERT-FOKLQQMPSA-N -1 0 516.594 5.687 40 10 KKCBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C ZINC000100928004 554525372 /nfs/dbraw/zinc/52/53/72/554525372.db2.gz JBONWKSNEJPVPE-AUWJEWJLSA-N -1 0 542.611 5.768 40 10 KKCBRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl ZINC000100930992 554527249 /nfs/dbraw/zinc/52/72/49/554527249.db2.gz APWFSAYAXCCMAD-YBOYZMIGSA-N -1 0 579.875 7.084 40 10 KKCBRM CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1c([O-])n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000100947795 554536210 /nfs/dbraw/zinc/53/62/10/554536210.db2.gz AWMWPIPOVUWUCU-DXJNIWACSA-N -1 0 614.771 7.337 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000101383550 554748805 /nfs/dbraw/zinc/74/88/05/554748805.db2.gz WGAFGPXYBHMDPN-YBFXNURJSA-N -1 0 529.351 5.777 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000101677690 554828120 /nfs/dbraw/zinc/82/81/20/554828120.db2.gz CMRNPUZUTHEKIY-XDHOZWIPSA-N -1 0 556.210 5.457 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000102444346 554930305 /nfs/dbraw/zinc/93/03/05/554930305.db2.gz HVAFCVKHVZCCHV-BKUYFWCQSA-N -1 0 545.349 5.027 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000103780822 555476283 /nfs/dbraw/zinc/47/62/83/555476283.db2.gz JFRNZODLQFKKJE-SRZZPIQSSA-N -1 0 566.466 5.845 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103793983 555481497 /nfs/dbraw/zinc/48/14/97/555481497.db2.gz MHBDXYIDSZCOBF-WGOQTCKBSA-N -1 0 596.684 6.401 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103815009 555482395 /nfs/dbraw/zinc/48/23/95/555482395.db2.gz 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COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922642 571369834 /nfs/dbraw/zinc/36/98/34/571369834.db2.gz CSMZUCKNWMQSMY-BRPDVVIDSA-N -1 0 587.730 8.027 40 10 KKCBRM O=C1C(=NNc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])C=C(Cl)C=C1[N+](=O)[O-] ZINC000104221682 571377224 /nfs/dbraw/zinc/37/72/24/571377224.db2.gz CNBWKGYULVCNBV-QPLCGJKRSA-N -1 0 514.903 6.218 40 10 KKCBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000104407116 571380893 /nfs/dbraw/zinc/38/08/93/571380893.db2.gz JJAZKBFQUMSIBI-UHFFFAOYSA-N -1 0 565.478 6.618 40 10 KKCBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000104406963 571380904 /nfs/dbraw/zinc/38/09/04/571380904.db2.gz UBKGRHFAQSPZDT-UHFFFAOYSA-N -1 0 549.023 6.104 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000104649568 571383040 /nfs/dbraw/zinc/38/30/40/571383040.db2.gz JVXVBQBMYOYQHC-DFXHWTJYSA-N -1 0 531.461 6.638 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 ZINC000104882139 571387180 /nfs/dbraw/zinc/38/71/80/571387180.db2.gz WKGNULUVTYTWTA-WSDLNYQXSA-N -1 0 580.435 5.006 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000105448433 571404974 /nfs/dbraw/zinc/40/49/74/571404974.db2.gz WREJKCDDZBAQMR-NVMNQCDNSA-N -1 0 548.220 5.805 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c1 ZINC000106737227 571416859 /nfs/dbraw/zinc/41/68/59/571416859.db2.gz MMWJBYZNVLRFEO-SCDVKCJHSA-N -1 0 518.330 5.917 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1Cl ZINC000106959659 571418834 /nfs/dbraw/zinc/41/88/34/571418834.db2.gz NMJZVQJIMRWWSA-BWAHOGKJSA-N -1 0 582.012 5.603 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)C1=O ZINC000112245585 571435686 /nfs/dbraw/zinc/43/56/86/571435686.db2.gz HJDDLXIEGGQELF-HZHRSRAPSA-N -1 0 531.395 6.700 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000112245665 571435712 /nfs/dbraw/zinc/43/57/12/571435712.db2.gz WXHREIJUCFXPSM-UDWIEESQSA-N -1 0 616.839 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000112245920 571435831 /nfs/dbraw/zinc/43/58/31/571435831.db2.gz FZICXMIQQVDVLK-XDHOZWIPSA-N -1 0 600.384 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000112245834 571435835 /nfs/dbraw/zinc/43/58/35/571435835.db2.gz COHJYBBGLPPEAC-UDWIEESQSA-N -1 0 614.290 6.164 40 10 KKCBRM CCC(=C\c1sc2cc(OC)c3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1\Sc2c(C)c(C)sc2N1CCCS(=O)(=O)[O-] ZINC000150384293 571468251 /nfs/dbraw/zinc/46/82/51/571468251.db2.gz WWFZMSDIHSIATK-UHFFFAOYSA-O -1 0 695.952 6.832 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223423222 571474448 /nfs/dbraw/zinc/47/44/48/571474448.db2.gz RJKNMVCTBYJSCH-SVBPBHIXSA-N -1 0 512.635 5.369 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223509197 571489798 /nfs/dbraw/zinc/48/97/98/571489798.db2.gz CIQNKJCWCURMOD-LPYMAVHISA-N -1 0 538.511 5.999 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223514200 571491059 /nfs/dbraw/zinc/49/10/59/571491059.db2.gz GFZLYPHMKZHHHY-WSDLNYQXSA-N -1 0 522.443 5.834 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223514614 571491264 /nfs/dbraw/zinc/49/12/64/571491264.db2.gz CKUMUPQDAMXJIQ-RGVLZGJSSA-N -1 0 512.437 6.379 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C(=O)[N-]C2=S)cc1 ZINC000223515315 571491429 /nfs/dbraw/zinc/49/14/29/571491429.db2.gz FLANPKCFSCTXDQ-BUVRLJJBSA-N -1 0 503.668 5.635 40 10 KKCBRM O=C(C=Cc1ccccc1)N(C(=O)CC(=O)n1[n-]c(-c2ccccc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1=O)c1ccc(Cl)cc1 ZINC000150444165 571499538 /nfs/dbraw/zinc/49/95/38/571499538.db2.gz IBFXPWCSHKJVQR-YFQNVVLXSA-N -1 0 635.036 6.137 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223558436 571501525 /nfs/dbraw/zinc/50/15/25/571501525.db2.gz ZAXWBOMAGFTXQO-VYVDHXHBSA-N -1 0 524.459 5.925 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223560240 571501951 /nfs/dbraw/zinc/50/19/51/571501951.db2.gz QFIKZKQKBNKTOZ-GKXUUXLPSA-N -1 0 526.500 5.781 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224273137 571511184 /nfs/dbraw/zinc/51/11/84/571511184.db2.gz UKOHZLIJWJXFOU-NSOVKSMOSA-N -1 0 510.663 6.290 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000150481350 571512610 /nfs/dbraw/zinc/51/26/10/571512610.db2.gz OOZFPORNPKSEBD-VXLYETTFSA-N -1 0 665.132 6.228 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481330 571512644 /nfs/dbraw/zinc/51/26/44/571512644.db2.gz UCPHKEYZTYOENX-DJKKODMXSA-N -1 0 637.257 6.160 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150481474 571512639 /nfs/dbraw/zinc/51/26/39/571512639.db2.gz ALWUELXMVNQRGT-QGMBQPNBSA-N -1 0 671.194 6.937 40 10 KKCBRM COc1cc(/N=N\c2cc(C)c(NC(=O)c3ccc(N)cc3)cc2C)c(OC)cc1/N=N\c1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000150485438 571515943 /nfs/dbraw/zinc/51/59/43/571515943.db2.gz QEZXDYQNUXXDEE-PKJKGCPLSA-N -1 0 638.706 8.386 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000150597170 571522377 /nfs/dbraw/zinc/52/23/77/571522377.db2.gz APGFFYOOVOFZLM-DPQBTTMVSA-N -1 0 643.115 6.881 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224404964 571539098 /nfs/dbraw/zinc/53/90/98/571539098.db2.gz XBVGDUUYCMRBIY-UIOOFZCWSA-N -1 0 500.599 5.812 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223766535 571540753 /nfs/dbraw/zinc/54/07/53/571540753.db2.gz CRAACFLZXOSKFN-SVBPBHIXSA-N -1 0 512.635 5.681 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164318148 571545566 /nfs/dbraw/zinc/54/55/66/571545566.db2.gz SBJXCFOWZXRTMD-CCVNUDIWSA-N -1 0 690.034 8.214 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000164317352 571545676 /nfs/dbraw/zinc/54/56/76/571545676.db2.gz ZRDUFKOPODHRAV-MHWRWJLKSA-N -1 0 628.173 6.757 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cc(Br)cc(I)c1O ZINC000164330969 571545737 /nfs/dbraw/zinc/54/57/37/571545737.db2.gz SWQAPDPFKLMJJI-NKVSQWTQSA-N -1 0 647.307 5.894 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)C2=O)c1 ZINC000164327801 571545764 /nfs/dbraw/zinc/54/57/64/571545764.db2.gz OOSBRARXNHRMKJ-RGVLZGJSSA-N 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KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164407958 571547472 /nfs/dbraw/zinc/54/74/72/571547472.db2.gz FSFLYQVKCZCOBI-WOJGMQOQSA-N -1 0 681.321 6.002 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000164447838 571547643 /nfs/dbraw/zinc/54/76/43/571547643.db2.gz PVYPYDLAFMYRDI-GIJQJNRQSA-N -1 0 669.551 6.873 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000164445441 571547689 /nfs/dbraw/zinc/54/76/89/571547689.db2.gz NLHFPSQESRAVPZ-RQZCQDPDSA-N -1 0 653.096 6.359 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164455587 571547820 /nfs/dbraw/zinc/54/78/20/571547820.db2.gz KSNDTGLXNYPXPI-GIJQJNRQSA-N -1 0 763.551 6.557 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000164453937 571547871 /nfs/dbraw/zinc/54/78/71/571547871.db2.gz RSPFOXSWZSOJTR-YBFXNURJSA-N -1 0 621.200 5.438 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164449580 571547956 /nfs/dbraw/zinc/54/79/56/571547956.db2.gz DTFAUXHNULREHX-REZTVBANSA-N -1 0 750.996 7.368 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000164468071 571548566 /nfs/dbraw/zinc/54/85/66/571548566.db2.gz DWEJJONDWDKPOQ-RGVLZGJSSA-N -1 0 665.253 5.837 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000164469444 571548624 /nfs/dbraw/zinc/54/86/24/571548624.db2.gz OEYHXGJHJHTSMF-ZVHZXABRSA-N -1 0 697.323 6.851 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224497765 571560594 /nfs/dbraw/zinc/56/05/94/571560594.db2.gz XQEOULJASHKBTL-LOSJGSFVSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224501715 571561653 /nfs/dbraw/zinc/56/16/53/571561653.db2.gz WGRBRGADNREECO-FTJBHMTQSA-N -1 0 561.505 6.435 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208238492 571573620 /nfs/dbraw/zinc/57/36/20/571573620.db2.gz ARJYKJNJUYKQOP-KMHUVPDISA-N -1 0 522.885 6.200 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208469017 571574522 /nfs/dbraw/zinc/57/45/22/571574522.db2.gz SBNJBFLGLYUFCN-OQLLNIDSSA-N -1 0 520.869 6.110 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208519702 571574659 /nfs/dbraw/zinc/57/46/59/571574659.db2.gz LIQIFTLDBXCTHW-FYJGNVAPSA-N -1 0 508.416 5.446 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000208651341 571574840 /nfs/dbraw/zinc/57/48/40/571574840.db2.gz SZWZQRWMQHQNKM-YVLHZVERSA-N -1 0 546.190 5.391 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223936470 571578824 /nfs/dbraw/zinc/57/88/24/571578824.db2.gz LTSQBQGWKXYTOZ-WDYNHAJCSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223936334 571578924 /nfs/dbraw/zinc/57/89/24/571578924.db2.gz AODSOZGUGUTHTF-VMPREFPWSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000215210905 571583739 /nfs/dbraw/zinc/58/37/39/571583739.db2.gz QVXRAADDNXUKIB-LSFURLLWSA-N -1 0 510.955 5.411 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223976589 571587220 /nfs/dbraw/zinc/58/72/20/571587220.db2.gz PRZTZMSOJJCZDJ-SVBPBHIXSA-N -1 0 525.634 5.323 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223976759 571587256 /nfs/dbraw/zinc/58/72/56/571587256.db2.gz PRZTZMSOJJCZDJ-KAYWLYCHSA-N -1 0 525.634 5.323 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224639272 571592731 /nfs/dbraw/zinc/59/27/31/571592731.db2.gz KSSPHLVVNNICQX-JSOSNVBQSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224639367 571592789 /nfs/dbraw/zinc/59/27/89/571592789.db2.gz KSSPHLVVNNICQX-CONSDPRKSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224639525 571592860 /nfs/dbraw/zinc/59/28/60/571592860.db2.gz KVHWTIKBGJJXNN-IOWSJCHKSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224642660 571593414 /nfs/dbraw/zinc/59/34/14/571593414.db2.gz DJPCIWDUKFZCKY-ZWXJPIIXSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224016567 571595814 /nfs/dbraw/zinc/59/58/14/571595814.db2.gz TXQGMCYUBWQNBC-CLJLJLNGSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224020182 571596541 /nfs/dbraw/zinc/59/65/41/571596541.db2.gz DHECXAONKZDWQA-SVBPBHIXSA-N -1 0 526.618 5.402 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224673166 571600429 /nfs/dbraw/zinc/60/04/29/571600429.db2.gz OYPNRELPAQNRKS-ACHIHNKUSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224676165 571601016 /nfs/dbraw/zinc/60/10/16/571601016.db2.gz JJCPAFVMAXINRU-SAIUNTKASA-N -1 0 588.733 7.774 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224710258 571607945 /nfs/dbraw/zinc/60/79/45/571607945.db2.gz UZXBGYVBZXYFAS-CZNDPXEESA-N -1 0 588.733 7.774 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224097911 571609708 /nfs/dbraw/zinc/60/97/08/571609708.db2.gz NTLODHMPJQDBOJ-LOYHVIPDSA-N -1 0 581.742 6.576 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)cc2)cc1 ZINC000224741840 571612863 /nfs/dbraw/zinc/61/28/63/571612863.db2.gz MTMARMMPKFGQSH-ACHIHNKUSA-N -1 0 590.705 7.165 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c(OC)c1 ZINC000224808814 571619113 /nfs/dbraw/zinc/61/91/13/571619113.db2.gz KYGBIFBZOISWSE-RRPNLBNLSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c1 ZINC000224841116 571622348 /nfs/dbraw/zinc/62/23/48/571622348.db2.gz JNBFHZXYPKECDD-KAYWLYCHSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224871850 571625304 /nfs/dbraw/zinc/62/53/04/571625304.db2.gz HEECASSWUBHJHA-DQEYMECFSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224930824 571631144 /nfs/dbraw/zinc/63/11/44/571631144.db2.gz FFNIZNSUJINACQ-UIOOFZCWSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224931137 571631168 /nfs/dbraw/zinc/63/11/68/571631168.db2.gz HVXGSHSVTBAYCN-IZZNHLLZSA-N -1 0 561.505 6.435 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224963167 571634435 /nfs/dbraw/zinc/63/44/35/571634435.db2.gz YJPRIOCPXCUWIR-RRPNLBNLSA-N -1 0 547.080 6.335 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225046231 571641828 /nfs/dbraw/zinc/64/18/28/571641828.db2.gz QWWNJRMSKPSDRE-NSOVKSMOSA-N -1 0 525.678 5.662 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103997 571647561 /nfs/dbraw/zinc/64/75/61/571647561.db2.gz KORQEAGGNCGMJW-FQLXRVMXSA-N -1 0 597.741 6.358 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225132405 571650397 /nfs/dbraw/zinc/65/03/97/571650397.db2.gz KKHDBDOIBBIXOT-NSOVKSMOSA-N -1 0 588.133 6.612 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1OC ZINC000225188200 571656042 /nfs/dbraw/zinc/65/60/42/571656042.db2.gz XFMWHQCZNMFBFD-VMPREFPWSA-N -1 0 569.687 5.722 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1OC ZINC000225191177 571656355 /nfs/dbraw/zinc/65/63/55/571656355.db2.gz WGDHILGUSZPFED-KYJUHHDHSA-N -1 0 583.714 6.030 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000225219648 571659217 /nfs/dbraw/zinc/65/92/17/571659217.db2.gz OTWJAQKNMVBPCI-URLMMPGGSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000225244356 571661970 /nfs/dbraw/zinc/66/19/70/571661970.db2.gz BULOUJCINNCAMP-NSOVKSMOSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000225244774 571661998 /nfs/dbraw/zinc/66/19/98/571661998.db2.gz BBQUZCRMNRRYCF-VSGBNLITSA-N -1 0 590.105 5.603 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225345853 571705641 /nfs/dbraw/zinc/70/56/41/571705641.db2.gz DINJOGPIUVWJSC-IZLXSDGUSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225348517 571709629 /nfs/dbraw/zinc/70/96/29/571709629.db2.gz NKDMPRMOQPLHHR-VMPREFPWSA-N -1 0 540.689 6.460 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225371673 571736796 /nfs/dbraw/zinc/73/67/96/571736796.db2.gz VYCOLKYFXYAKKM-LOYHVIPDSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225456021 571827559 /nfs/dbraw/zinc/82/75/59/571827559.db2.gz QPWNSBGGESYVOU-SXOMAYOGSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225455857 571827610 /nfs/dbraw/zinc/82/76/10/571827610.db2.gz FAQJDWHNVUOMHA-SXOMAYOGSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225458276 571829986 /nfs/dbraw/zinc/82/99/86/571829986.db2.gz GVAJMLDSEZQGMG-NSOVKSMOSA-N -1 0 589.743 5.353 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225551041 571914087 /nfs/dbraw/zinc/91/40/87/571914087.db2.gz FEOCSZRTYVKCCI-XZWHSSHBSA-N -1 0 567.715 5.751 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225553100 571915868 /nfs/dbraw/zinc/91/58/68/571915868.db2.gz MLRFZLFBWVGAIT-IOWSJCHKSA-N -1 0 581.742 6.059 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225595028 571950431 /nfs/dbraw/zinc/95/04/31/571950431.db2.gz JWRDZURVYFDPPB-VMPREFPWSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225594963 571950450 /nfs/dbraw/zinc/95/04/50/571950450.db2.gz JWRDZURVYFDPPB-WDYNHAJCSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225615143 571965921 /nfs/dbraw/zinc/96/59/21/571965921.db2.gz IFCUHWOOVSZMIV-FQLXRVMXSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225630874 571982867 /nfs/dbraw/zinc/98/28/67/571982867.db2.gz SUISYVZSWVDJJJ-LOYHVIPDSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225631156 571983281 /nfs/dbraw/zinc/98/32/81/571983281.db2.gz SKIYYVXNOFXZSG-KYJUHHDHSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225632751 571984639 /nfs/dbraw/zinc/98/46/39/571984639.db2.gz HBZPLHNWVNKPRK-JSOSNVBQSA-N -1 0 581.742 6.114 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225667970 572010272 /nfs/dbraw/zinc/01/02/72/572010272.db2.gz PXZHHFGDDIENRP-VMPREFPWSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225686934 572023176 /nfs/dbraw/zinc/02/31/76/572023176.db2.gz KPPKWTRQPXCOBT-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225706257 572036822 /nfs/dbraw/zinc/03/68/22/572036822.db2.gz CIWDWRDMRMIBFE-AJQTZOPKSA-N -1 0 589.721 6.342 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408527938 572162363 /nfs/dbraw/zinc/16/23/63/572162363.db2.gz AKAJWSGISJHYHZ-AOWRSFTHSA-N -1 0 660.702 6.159 40 10 KKCBRM CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)sc2c1 ZINC000408528055 572162546 /nfs/dbraw/zinc/16/25/46/572162546.db2.gz FARBOBVPVMAIFX-XQNSMLJCSA-N -1 0 542.661 5.742 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)C2=O)c1 ZINC000408528536 572164378 /nfs/dbraw/zinc/16/43/78/572164378.db2.gz BMKMFYKDPCCOFY-JAIQZWGSSA-N -1 0 614.246 5.414 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408528662 572165047 /nfs/dbraw/zinc/16/50/47/572165047.db2.gz BRDUUWPTSVIKBU-DEDYPNTBSA-N -1 0 525.344 5.278 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408529158 572167348 /nfs/dbraw/zinc/16/73/48/572167348.db2.gz CFSWQPSGHZRVBO-KGENOOAVSA-N -1 0 549.377 5.042 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000408529156 572167415 /nfs/dbraw/zinc/16/74/15/572167415.db2.gz ILTRYLUEHUCVFS-ZXVVBBHZSA-N -1 0 675.605 6.297 40 10 KKCBRM Cc1c(Br)ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c1C ZINC000408529284 572168041 /nfs/dbraw/zinc/16/80/41/572168041.db2.gz HJSYBOGQUXWNJM-KGENOOAVSA-N -1 0 670.402 6.585 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408529971 572170427 /nfs/dbraw/zinc/17/04/27/572170427.db2.gz DMYVRVRONNRFFN-DEDYPNTBSA-N -1 0 616.795 5.229 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Br)cc1 ZINC000408530324 572171108 /nfs/dbraw/zinc/17/11/08/572171108.db2.gz DZGKWCZVPFXWPT-UNOMPAQXSA-N -1 0 696.089 5.702 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)C2=O)c1 ZINC000408531550 572175973 /nfs/dbraw/zinc/17/59/73/572175973.db2.gz HBOFPZPPHSSGCH-MOSHPQCFSA-N -1 0 584.220 5.406 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Br)cc2)C1=O ZINC000408531840 572177478 /nfs/dbraw/zinc/17/74/78/572177478.db2.gz HHFNIRYLGNZCPC-WQRHYEAKSA-N -1 0 663.116 6.168 40 10 KKCBRM CCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OC)c2)C1=O ZINC000408533366 572183186 /nfs/dbraw/zinc/18/31/86/572183186.db2.gz QOLNBDGBWGCOEO-RGEXLXHISA-N -1 0 531.403 5.092 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408533736 572184364 /nfs/dbraw/zinc/18/43/64/572184364.db2.gz KPKCAFSXSHDLJM-VCHYOVAHSA-N -1 0 545.762 5.541 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)ccc1Br ZINC000408534338 572186030 /nfs/dbraw/zinc/18/60/30/572186030.db2.gz QKHCJSODEQAHNF-KGENOOAVSA-N -1 0 656.375 6.276 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408534603 572186439 /nfs/dbraw/zinc/18/64/39/572186439.db2.gz MKDKHRARVMXHQA-PHDJUTGNSA-N -1 0 648.666 6.289 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408535330 572188269 /nfs/dbraw/zinc/18/82/69/572188269.db2.gz NQGYBFUSMPNKLG-ODLFYWEKSA-N -1 0 726.115 5.710 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408535940 572189734 /nfs/dbraw/zinc/18/97/34/572189734.db2.gz PEFFCRHGGNSPMZ-AXRQRBSBSA-N -1 0 643.231 5.339 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 ZINC000408536108 572190164 /nfs/dbraw/zinc/19/01/64/572190164.db2.gz PTJAIUIGFCQPTH-UNOMPAQXSA-N -1 0 604.638 5.751 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408536529 572191649 /nfs/dbraw/zinc/19/16/49/572191649.db2.gz RSZUJPHLHICEAH-SSZQZOOLSA-N -1 0 671.254 5.414 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408536833 572192110 /nfs/dbraw/zinc/19/21/10/572192110.db2.gz BHRCZVXBTLEGRR-XDHOZWIPSA-N -1 0 519.425 6.326 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408536742 572192256 /nfs/dbraw/zinc/19/22/56/572192256.db2.gz AVKHBOPVYFIJIC-BOPFTXTBSA-N -1 0 506.342 5.527 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408536736 572192259 /nfs/dbraw/zinc/19/22/59/572192259.db2.gz AUBWNDHASRFYJS-QRQIAZFYSA-N -1 0 593.592 5.818 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408536998 572192746 /nfs/dbraw/zinc/19/27/46/572192746.db2.gz BTQMGFYUGQFGAK-YVLHZVERSA-N -1 0 506.342 5.527 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 ZINC000408536961 572192837 /nfs/dbraw/zinc/19/28/37/572192837.db2.gz UDYZQRQPVXICOI-NVMNQCDNSA-N -1 0 672.635 6.769 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408537088 572193441 /nfs/dbraw/zinc/19/34/41/572193441.db2.gz CCOFHVNDJDMSJX-YUMHPJSZSA-N -1 0 579.565 5.428 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537045 572193459 /nfs/dbraw/zinc/19/34/59/572193459.db2.gz UKSRXQKHIMMLQG-YBEGLDIGSA-N -1 0 633.180 5.145 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408537402 572194110 /nfs/dbraw/zinc/19/41/10/572194110.db2.gz DPAVKZRQCLTTCL-JVWAILMASA-N -1 0 687.543 6.689 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408537354 572194166 /nfs/dbraw/zinc/19/41/66/572194166.db2.gz VKKRHFXSQXBDGR-HGKZOJRLSA-N -1 0 585.332 5.753 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537378 572194227 /nfs/dbraw/zinc/19/42/27/572194227.db2.gz DFSXNIXGZMPHNQ-IMRQLAEWSA-N -1 0 672.488 6.580 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408537397 572194289 /nfs/dbraw/zinc/19/42/89/572194289.db2.gz DMTQANJNSUHVCT-ITYLOYPMSA-N -1 0 577.077 6.943 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537376 572194312 /nfs/dbraw/zinc/19/43/12/572194312.db2.gz DFMCWACDGRBQJG-YUMHPJSZSA-N -1 0 623.618 5.827 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2ccccc2)C1=O ZINC000408537355 572194456 /nfs/dbraw/zinc/19/44/56/572194456.db2.gz VLYRNVYHHNDGBP-QQITVKKTSA-N -1 0 626.257 5.505 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537589 572194754 /nfs/dbraw/zinc/19/47/54/572194754.db2.gz FYCZTSJPPAEORQ-CFRMEGHHSA-N -1 0 681.956 7.879 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537507 572194807 /nfs/dbraw/zinc/19/48/07/572194807.db2.gz FSDVJGUMUXDLNR-JVWAILMASA-N -1 0 627.093 6.880 40 10 KKCBRM CCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408537587 572195109 /nfs/dbraw/zinc/19/51/09/572195109.db2.gz FXUOKTGUDYZVGH-HMMYKYKNSA-N -1 0 515.404 5.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408537758 572196069 /nfs/dbraw/zinc/19/60/69/572196069.db2.gz XBNWNIGEKGJMGT-DEDYPNTBSA-N -1 0 569.795 5.387 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408537763 572196184 /nfs/dbraw/zinc/19/61/84/572196184.db2.gz HHCLYGPVHLHKKP-RHANQZHGSA-N -1 0 699.598 7.688 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408537940 572196426 /nfs/dbraw/zinc/19/64/26/572196426.db2.gz IIFRDYLOGAEHEV-VEILYXNESA-N -1 0 593.592 5.818 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538144 572196929 /nfs/dbraw/zinc/19/69/29/572196929.db2.gz JUKVCQUFOHKKIK-UCMJSZAQSA-N -1 0 763.641 8.260 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538087 572196995 /nfs/dbraw/zinc/19/69/95/572196995.db2.gz IWXPNZUHOLTNBJ-PKAZHMFMSA-N -1 0 613.066 6.572 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538111 572197030 /nfs/dbraw/zinc/19/70/30/572197030.db2.gz JDYLIZMPUQKYDS-VEILYXNESA-N -1 0 641.518 6.899 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538305 572197349 /nfs/dbraw/zinc/19/73/49/572197349.db2.gz KRWYNKNHKKKRHQ-AFUMVMLFSA-N -1 0 677.935 6.944 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538295 572197445 /nfs/dbraw/zinc/19/74/45/572197445.db2.gz KLTVMZPJHLPWHN-YSMPRRRNSA-N -1 0 629.065 6.277 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1 ZINC000408538206 572197478 /nfs/dbraw/zinc/19/74/78/572197478.db2.gz ZEJPLJGGNYBVBC-ZDLGFXPLSA-N -1 0 727.985 6.622 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408538397 572197907 /nfs/dbraw/zinc/19/79/07/572197907.db2.gz MFWBXBRWNWNHHT-ZHZULCJRSA-N -1 0 573.440 5.260 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538390 572197915 /nfs/dbraw/zinc/19/79/15/572197915.db2.gz MDCHCGLNDOFONS-VUTHCHCSSA-N -1 0 578.621 5.918 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538409 572197954 /nfs/dbraw/zinc/19/79/54/572197954.db2.gz MLQDSRVZFSOHLA-ZXVVBBHZSA-N -1 0 627.491 6.672 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538367 572197961 /nfs/dbraw/zinc/19/79/61/572197961.db2.gz LQRSNFMOJIYIFX-WYMPLXKRSA-N -1 0 740.832 8.006 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408538448 572197973 /nfs/dbraw/zinc/19/79/73/572197973.db2.gz MZYXJXMARQIGDX-GZTJUZNOSA-N -1 0 568.237 5.976 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538458 572198103 /nfs/dbraw/zinc/19/81/03/572198103.db2.gz NDWNWSLMPRBCEK-USHMODERSA-N -1 0 562.622 6.136 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538437 572198185 /nfs/dbraw/zinc/19/81/85/572198185.db2.gz MWHBJVQJGQMPFT-AFUMVMLFSA-N -1 0 724.377 7.574 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408538453 572198209 /nfs/dbraw/zinc/19/82/09/572198209.db2.gz NBXXNEJPIAELCF-YSMPRRRNSA-N -1 0 657.075 5.968 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538450 572198225 /nfs/dbraw/zinc/19/82/25/572198225.db2.gz NADNSVFBNARMBH-WGOQTCKBSA-N -1 0 661.936 7.244 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408538723 572199640 /nfs/dbraw/zinc/19/96/40/572199640.db2.gz PTDZWSWGJNDPHG-OVVQPSECSA-N -1 0 599.039 6.182 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539142 572201056 /nfs/dbraw/zinc/20/10/56/572201056.db2.gz UDZGUZKUXLKJOK-ONUIUJJFSA-N -1 0 647.909 6.936 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539262 572201422 /nfs/dbraw/zinc/20/14/22/572201422.db2.gz UUSBODBLEUEKMW-YUMHPJSZSA-N -1 0 716.541 6.979 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539549 572202497 /nfs/dbraw/zinc/20/24/97/572202497.db2.gz XFRZDIMMTZKOPO-MNBJERMJSA-N -1 0 798.484 8.624 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539584 572202520 /nfs/dbraw/zinc/20/25/20/572202520.db2.gz IEVFYRYFHBGOKK-VULFUBBASA-N -1 0 705.989 7.643 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539551 572202641 /nfs/dbraw/zinc/20/26/41/572202641.db2.gz XGQUNWHKIFNXGF-IMRQLAEWSA-N -1 0 599.039 6.269 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408539691 572202907 /nfs/dbraw/zinc/20/29/07/572202907.db2.gz JKZUJPFRUMTWOX-WOJGMQOQSA-N -1 0 535.822 5.737 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408540064 572204103 /nfs/dbraw/zinc/20/41/03/572204103.db2.gz MLKWQTACCQZTAH-ZHZULCJRSA-N -1 0 545.032 5.772 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540029 572204126 /nfs/dbraw/zinc/20/41/26/572204126.db2.gz MABBYFJAPVVANL-WYMPLXKRSA-N -1 0 651.930 7.788 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408540084 572204507 /nfs/dbraw/zinc/20/45/07/572204507.db2.gz MVZSLQOXICWRCS-JXAWBTAJSA-N -1 0 519.823 6.036 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408540177 572204550 /nfs/dbraw/zinc/20/45/50/572204550.db2.gz OCRWCPSIISFILX-IMRQLAEWSA-N -1 0 597.067 6.872 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408540112 572204598 /nfs/dbraw/zinc/20/45/98/572204598.db2.gz NFYCYXOTTRJYFI-USHMODERSA-N -1 0 548.595 5.910 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408540090 572204652 /nfs/dbraw/zinc/20/46/52/572204652.db2.gz MYGXYQRXNZBWAL-TWKHWXDSSA-N -1 0 680.754 7.106 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1OCC ZINC000408540396 572205399 /nfs/dbraw/zinc/20/53/99/572205399.db2.gz RFNGDLAOKHHKIZ-VUTHCHCSSA-N -1 0 666.727 6.716 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408540389 572205480 /nfs/dbraw/zinc/20/54/80/572205480.db2.gz RDTHMPJHCGIVAX-RDRPBHBLSA-N -1 0 759.650 7.868 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540326 572205511 /nfs/dbraw/zinc/20/55/11/572205511.db2.gz QBKQIMIGSHZBAA-ITYLOYPMSA-N -1 0 629.532 6.447 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540470 572205887 /nfs/dbraw/zinc/20/58/87/572205887.db2.gz SFKNZCKJNIPNSG-MYYYXRDXSA-N -1 0 617.485 7.217 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408540516 572206203 /nfs/dbraw/zinc/20/62/03/572206203.db2.gz STEXVJXAPMXEPA-OGLMXYFKSA-N -1 0 597.067 6.872 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540920 572207393 /nfs/dbraw/zinc/20/73/93/572207393.db2.gz WYKHMCWIAGPERT-VULFUBBASA-N -1 0 691.962 7.334 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)c3ccccc32)c1 ZINC000408541821 572209152 /nfs/dbraw/zinc/20/91/52/572209152.db2.gz HVRKVYDLVHYUQO-CIAFOILYSA-N -1 0 548.382 5.449 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408541797 572209387 /nfs/dbraw/zinc/20/93/87/572209387.db2.gz HTBLZEVGKSEFKJ-DEDYPNTBSA-N -1 0 564.450 5.614 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408543763 572213639 /nfs/dbraw/zinc/21/36/39/572213639.db2.gz SVXGIGLWNIYTJG-ZXVVBBHZSA-N -1 0 599.709 5.130 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408545129 572217832 /nfs/dbraw/zinc/21/78/32/572217832.db2.gz ZFQLAJVYMDNORM-KOEQRZSOSA-N -1 0 648.579 5.803 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408549997 572232817 /nfs/dbraw/zinc/23/28/17/572232817.db2.gz AKXFJEAKBOPTIA-QQXSKIMKSA-N -1 0 660.510 6.655 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550565 572234329 /nfs/dbraw/zinc/23/43/29/572234329.db2.gz FGVNIPIHOPTGIK-PXNMLYILSA-N -1 0 684.193 6.367 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551316 572235731 /nfs/dbraw/zinc/23/57/31/572235731.db2.gz CBRSIRVKXQPRDM-ZDLGFXPLSA-N -1 0 560.777 5.036 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551406 572236200 /nfs/dbraw/zinc/23/62/00/572236200.db2.gz CPEVOQMUNVKIED-REZTVBANSA-N -1 0 653.700 6.102 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551377 572236272 /nfs/dbraw/zinc/23/62/72/572236272.db2.gz CKKUJDWLCWJEGL-WQRHYEAKSA-N -1 0 560.846 5.496 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1Cl ZINC000408551520 572236521 /nfs/dbraw/zinc/23/65/21/572236521.db2.gz DLGQMPUHEWWUND-CAOOACKPSA-N -1 0 593.250 6.293 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551878 572237294 /nfs/dbraw/zinc/23/72/94/572237294.db2.gz GSROKRZEDAYDMX-VCHYOVAHSA-N -1 0 623.674 6.093 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408552229 572238210 /nfs/dbraw/zinc/23/82/10/572238210.db2.gz PMAJJEIGZSXWFM-CAOOACKPSA-N -1 0 609.249 5.993 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552548 572238685 /nfs/dbraw/zinc/23/86/85/572238685.db2.gz JPFNQPVNDMPSRO-CAOOACKPSA-N -1 0 637.245 5.588 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1OC ZINC000408552633 572239103 /nfs/dbraw/zinc/23/91/03/572239103.db2.gz RTBIFYBLAZPMDE-BKUYFWCQSA-N -1 0 598.439 5.475 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552924 572239566 /nfs/dbraw/zinc/23/95/66/572239566.db2.gz SJPNNFBJXVVOHY-GIJQJNRQSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408553602 572240989 /nfs/dbraw/zinc/24/09/89/572240989.db2.gz OMWJNWDXBQRTAS-GIJQJNRQSA-N -1 0 637.701 6.402 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1OCC ZINC000408553963 572241225 /nfs/dbraw/zinc/24/12/25/572241225.db2.gz XTWCIUGWIJKWAP-HYARGMPZSA-N -1 0 612.466 5.865 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408555033 572242432 /nfs/dbraw/zinc/24/24/32/572242432.db2.gz VAKKJWYJAPGQPQ-GIJQJNRQSA-N -1 0 637.701 6.402 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408555412 572242824 /nfs/dbraw/zinc/24/28/24/572242824.db2.gz XHEAXUTZLBZSPG-GIJQJNRQSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000408555619 572243026 /nfs/dbraw/zinc/24/30/26/572243026.db2.gz YGNBSGNTFJOCMU-JAIQZWGSSA-N -1 0 572.832 5.948 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408584848 572265943 /nfs/dbraw/zinc/26/59/43/572265943.db2.gz VWKCTVRMQZDZLA-UHFFFAOYSA-N -1 0 538.984 5.772 40 10 KKCBRM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OCC ZINC000408586385 572266201 /nfs/dbraw/zinc/26/62/01/572266201.db2.gz OGZKCZJKTSQXOM-UHFFFAOYSA-N -1 0 502.976 5.339 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408587178 572266550 /nfs/dbraw/zinc/26/65/50/572266550.db2.gz RVQOQDMTUJJXSH-UHFFFAOYSA-N -1 0 555.439 6.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408600826 572272621 /nfs/dbraw/zinc/27/26/21/572272621.db2.gz GKNKRWKNSMGLTF-LCYFTJDESA-N -1 0 506.685 5.481 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632178 572288462 /nfs/dbraw/zinc/28/84/62/572288462.db2.gz HUAGEFGMXLUIGV-MSXFZWOLSA-N -1 0 557.047 6.400 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408632628 572288961 /nfs/dbraw/zinc/28/89/61/572288961.db2.gz FYJVWFUSMXIHOA-HMAPJEAMSA-N -1 0 604.901 6.848 40 10 KKCBRM CCn1c(S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633132 572289794 /nfs/dbraw/zinc/28/97/94/572289794.db2.gz LSKRUSZHRHUQCH-WGOQTCKBSA-N -1 0 547.681 5.674 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(C)c(I)c4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408633399 572290037 /nfs/dbraw/zinc/29/00/37/572290037.db2.gz MUJRWNBIXKQQRN-KSEXSDGBSA-N -1 0 616.481 6.027 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(-c4cc(OC)cc(OC)c4)o3)C(=O)[O-])c2C)cc1 ZINC000408633584 572290291 /nfs/dbraw/zinc/29/02/91/572290291.db2.gz NZNQRUKCBRUFHX-OYKKKHCWSA-N -1 0 549.605 5.556 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])o1 ZINC000408635044 572292083 /nfs/dbraw/zinc/29/20/83/572292083.db2.gz YGKNZKVVRJIIMV-YVNNLAQVSA-N -1 0 621.884 6.937 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)[O-])o1 ZINC000408635256 572292299 /nfs/dbraw/zinc/29/22/99/572292299.db2.gz ZOUFUYDNEIDAAR-MFOYZWKCSA-N -1 0 510.797 5.445 40 10 KKCBRM CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000097957707 1069690658 /nfs/dbraw/zinc/69/06/58/1069690658.db2.gz CETFUBURBGNTRB-HKOYGPOVSA-N -1 0 571.746 5.587 40 10 KKCBRM COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c1 ZINC000102686959 1069706734 /nfs/dbraw/zinc/70/67/34/1069706734.db2.gz VIJRLSDOWPRSIE-SZXQPVLSSA-N -1 0 577.772 7.345 40 10 KKCBRM CC(C)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)cc1 ZINC000103126213 1069708468 /nfs/dbraw/zinc/70/84/68/1069708468.db2.gz PFEDOVCQVDORKK-JLPGSUDCSA-N -1 0 516.066 6.269 40 10 KKCBRM CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OCC ZINC000108422985 1069716726 /nfs/dbraw/zinc/71/67/26/1069716726.db2.gz MCDQCHBDVHTRTJ-YVLHZVERSA-N -1 0 535.822 6.184 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408795292 1069740916 /nfs/dbraw/zinc/74/09/16/1069740916.db2.gz BVGDCPDYYPGIAH-LPYMAVHISA-N -1 0 593.430 5.188 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)c(C)c1 ZINC000408808788 1069742468 /nfs/dbraw/zinc/74/24/68/1069742468.db2.gz GBHRVFPWLLXIJT-UDWIEESQSA-N -1 0 539.813 5.965 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408831601 1069744038 /nfs/dbraw/zinc/74/40/38/1069744038.db2.gz QZNAJABTDPVURN-OPTCCTCHSA-N -1 0 793.545 9.879 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408889985 1069750644 /nfs/dbraw/zinc/75/06/44/1069750644.db2.gz MEIVSSLLXVJBPT-CIAFOILYSA-N -1 0 614.411 5.691 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408914465 1069754345 /nfs/dbraw/zinc/75/43/45/1069754345.db2.gz XYUFTZODYKAYCQ-NVMNQCDNSA-N -1 0 559.775 5.496 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935026 1069758274 /nfs/dbraw/zinc/75/82/74/1069758274.db2.gz GARHTDWECVZOSN-UNOMPAQXSA-N -1 0 608.978 5.500 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408935626 1069758985 /nfs/dbraw/zinc/75/89/85/1069758985.db2.gz IDSVSALICMEHMK-CVKSISIWSA-N -1 0 591.422 6.957 40 10 KKCBRM COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000408970002 1069763980 /nfs/dbraw/zinc/76/39/80/1069763980.db2.gz YLJRLNWFOVFTLX-NDENLUEZSA-N -1 0 527.360 5.126 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409132917 1069784042 /nfs/dbraw/zinc/78/40/42/1069784042.db2.gz PIGKQQYOFZLLKU-ZVHZXABRSA-N -1 0 684.527 6.037 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409142459 1069790021 /nfs/dbraw/zinc/79/00/21/1069790021.db2.gz LNJYDVAFQASMHV-UDWIEESQSA-N -1 0 708.381 5.439 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000409220260 1069801128 /nfs/dbraw/zinc/80/11/28/1069801128.db2.gz VPKLQKNZLHBHOT-LPYMAVHISA-N -1 0 598.439 5.475 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409219890 1069801283 /nfs/dbraw/zinc/80/12/83/1069801283.db2.gz RIBNFCPWRTUOEE-DJKKODMXSA-N -1 0 647.707 5.857 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409270431 1069802380 /nfs/dbraw/zinc/80/23/80/1069802380.db2.gz FWOLNQLBMRUAFD-UNOMPAQXSA-N -1 0 719.916 5.435 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408771617 1069871717 /nfs/dbraw/zinc/87/17/17/1069871717.db2.gz IEIPVCGWWRSQDY-FYJGNVAPSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000408768244 1069872515 /nfs/dbraw/zinc/87/25/15/1069872515.db2.gz DDYOTIWMEIXMOK-WOJGMQOQSA-N -1 0 579.358 6.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408768316 1069873016 /nfs/dbraw/zinc/87/30/16/1069873016.db2.gz VXJPBMWFTFNBDX-GIJQJNRQSA-N -1 0 680.854 5.745 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c1C)CCCC2 ZINC000408775830 1069880357 /nfs/dbraw/zinc/88/03/57/1069880357.db2.gz SKMINGGCVINDQD-DEDYPNTBSA-N -1 0 538.025 5.141 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c1 ZINC000408776855 1069887080 /nfs/dbraw/zinc/88/70/80/1069887080.db2.gz RVEWNVOISOEOHA-LICLKQGHSA-N -1 0 561.925 6.199 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408772074 1069882947 /nfs/dbraw/zinc/88/29/47/1069882947.db2.gz AMGAEZKMRHPQQG-CIAFOILYSA-N -1 0 580.391 5.310 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)c1 ZINC000408773480 1069887477 /nfs/dbraw/zinc/88/74/77/1069887477.db2.gz KYPWFJQXGVFOIM-QGMBQPNBSA-N -1 0 653.154 7.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408774259 1069889686 /nfs/dbraw/zinc/88/96/86/1069889686.db2.gz YQLMMEIFVVYJHO-RGVLZGJSSA-N -1 0 620.802 5.728 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408774750 1069891254 /nfs/dbraw/zinc/89/12/54/1069891254.db2.gz XGKUCASIJVMZBF-XDHOZWIPSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)c1 ZINC000408773476 1069887142 /nfs/dbraw/zinc/88/71/42/1069887142.db2.gz KXOSBOXGESPKDO-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408777949 1069896332 /nfs/dbraw/zinc/89/63/32/1069896332.db2.gz MUUSTTGXYCHMIY-WPWMEQJKSA-N -1 0 520.585 6.101 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408777757 1069895552 /nfs/dbraw/zinc/89/55/52/1069895552.db2.gz HVSQOCRYXIMBLK-JFLMPSFJSA-N -1 0 537.635 6.367 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408779766 1069901431 /nfs/dbraw/zinc/90/14/31/1069901431.db2.gz KCZOVSOJPHXFEG-GIJQJNRQSA-N -1 0 564.194 6.140 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000408779862 1069901673 /nfs/dbraw/zinc/90/16/73/1069901673.db2.gz MLJBFMAFOKMRSJ-XDHOZWIPSA-N -1 0 544.913 6.003 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)c1 ZINC000408782083 1069906035 /nfs/dbraw/zinc/90/60/35/1069906035.db2.gz VOLRQBJYRFHMQE-UDWIEESQSA-N -1 0 572.786 5.498 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408782550 1069907665 /nfs/dbraw/zinc/90/76/65/1069907665.db2.gz KAPSZMFOIAOVSU-LFVJCYFKSA-N -1 0 542.458 6.047 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408782847 1069908364 /nfs/dbraw/zinc/90/83/64/1069908364.db2.gz KEFNEUNBFFUYOX-YDZHTSKRSA-N -1 0 638.845 6.352 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000408783128 1069909205 /nfs/dbraw/zinc/90/92/05/1069909205.db2.gz LCHOHVAKFASZEZ-WOJGMQOQSA-N -1 0 576.749 5.329 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408783435 1069909955 /nfs/dbraw/zinc/90/99/55/1069909955.db2.gz LHPXOJRGEPLYTB-IGFNKKCMSA-N -1 0 518.613 6.452 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408782022 1069906063 /nfs/dbraw/zinc/90/60/63/1069906063.db2.gz GMTPMOOTXKFKQP-RGVLZGJSSA-N -1 0 545.764 5.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408784965 1069913335 /nfs/dbraw/zinc/91/33/35/1069913335.db2.gz WIYOOZRIVUFJBL-VIZOYTHASA-N -1 0 575.839 5.454 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408786563 1069921652 /nfs/dbraw/zinc/92/16/52/1069921652.db2.gz KSHWKJKDTHQZKJ-YDZHTSKRSA-N -1 0 531.395 6.700 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408797133 1069931631 /nfs/dbraw/zinc/93/16/31/1069931631.db2.gz BJQCCBMYFONITP-GIJQJNRQSA-N -1 0 589.815 5.687 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408799757 1069935405 /nfs/dbraw/zinc/93/54/05/1069935405.db2.gz KSDOJUZJGJXZGH-YZSQISJMSA-N -1 0 554.986 5.915 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408800898 1069937918 /nfs/dbraw/zinc/93/79/18/1069937918.db2.gz RVKSXKOIJFHKEX-YDZHTSKRSA-N -1 0 573.399 5.562 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408801224 1069938758 /nfs/dbraw/zinc/93/87/58/1069938758.db2.gz SLKQUWRRTWGKON-GIJQJNRQSA-N -1 0 604.284 6.627 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408801429 1069939545 /nfs/dbraw/zinc/93/95/45/1069939545.db2.gz ARFKMIICPFSVDK-KEBDBYFISA-N -1 0 559.833 6.599 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)c1C ZINC000408801559 1069940271 /nfs/dbraw/zinc/94/02/71/1069940271.db2.gz VSXJYGXIUGZOFF-UDWIEESQSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408800158 1069936002 /nfs/dbraw/zinc/93/60/02/1069936002.db2.gz NHKQWDYIVFBTNN-UFWORHAWSA-N -1 0 624.702 7.053 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408802479 1069945102 /nfs/dbraw/zinc/94/51/02/1069945102.db2.gz YHQQEZIIAPNVBT-GIJQJNRQSA-N -1 0 517.752 5.598 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408804050 1069949296 /nfs/dbraw/zinc/94/92/96/1069949296.db2.gz VHRLEZXXJMUPNV-KEBDBYFISA-N -1 0 545.806 6.291 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc4ccccc43)ccc3ccccc32)C1=O ZINC000408804517 1069950021 /nfs/dbraw/zinc/95/00/21/1069950021.db2.gz YADYZQMLQLBWMK-MTDXEUNCSA-N -1 0 547.010 7.200 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408804258 1069950136 /nfs/dbraw/zinc/95/01/36/1069950136.db2.gz DXCKRGGLBZSZHK-CAOOACKPSA-N -1 0 566.224 6.554 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)c1C ZINC000408803295 1069946680 /nfs/dbraw/zinc/94/66/80/1069946680.db2.gz NISKMGACEITSHM-UDWIEESQSA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408805000 1069951759 /nfs/dbraw/zinc/95/17/59/1069951759.db2.gz IIVCLNSHLADIQZ-ZMOGYAJESA-N -1 0 619.899 7.208 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c(C)c1 ZINC000408805433 1069953326 /nfs/dbraw/zinc/95/33/26/1069953326.db2.gz KBCFCMHRBHXHSU-UDWIEESQSA-N -1 0 550.365 5.220 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408807934 1069958109 /nfs/dbraw/zinc/95/81/09/1069958109.db2.gz IJHAXFGZQMJIAX-VCHYOVAHSA-N -1 0 546.750 5.800 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408810134 1069962740 /nfs/dbraw/zinc/96/27/40/1069962740.db2.gz LPDHGWSSXHEIHW-ZVHZXABRSA-N -1 0 615.436 5.643 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408811513 1069965987 /nfs/dbraw/zinc/96/59/87/1069965987.db2.gz RDZMJYLSTOYZOM-UDWIEESQSA-N -1 0 525.388 5.946 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408810608 1069963824 /nfs/dbraw/zinc/96/38/24/1069963824.db2.gz PNIYLZYAECCMKA-QGMBQPNBSA-N -1 0 671.702 6.896 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408810345 1069963986 /nfs/dbraw/zinc/96/39/86/1069963986.db2.gz MALJGVCRXZJXSI-HYARGMPZSA-N -1 0 539.357 5.232 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000408809305 1069961240 /nfs/dbraw/zinc/96/12/40/1069961240.db2.gz RIURMDYMLHHUJE-BUVRLJJBSA-N -1 0 517.368 6.392 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408811964 1069966849 /nfs/dbraw/zinc/96/68/49/1069966849.db2.gz MHEWITBLKQNUIE-GIJQJNRQSA-N -1 0 653.256 5.861 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408816073 1069971569 /nfs/dbraw/zinc/97/15/69/1069971569.db2.gz IREAYVKXEMPVDZ-HAVVHWLPSA-N -1 0 582.657 6.092 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3c(C)ccc4ccccc43)ccc3ccccc32)C1=O ZINC000408815451 1069970044 /nfs/dbraw/zinc/97/00/44/1069970044.db2.gz RHSPFYUTGGYJNF-TURZUDJPSA-N -1 0 526.592 6.855 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408816394 1069972367 /nfs/dbraw/zinc/97/23/67/1069972367.db2.gz RRKGOFJZYJZRHR-YBFXNURJSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408816327 1069972474 /nfs/dbraw/zinc/97/24/74/1069972474.db2.gz RNCGXAVAIUXATH-WGOQTCKBSA-N -1 0 676.507 6.796 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408819041 1069977790 /nfs/dbraw/zinc/97/77/90/1069977790.db2.gz ZQJRLGQRCWVBNB-BUVRLJJBSA-N -1 0 526.976 6.056 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408813796 1069979241 /nfs/dbraw/zinc/97/92/41/1069979241.db2.gz YOEPKXPXSFSLEV-RGVLZGJSSA-N -1 0 580.391 5.228 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408814294 1069980537 /nfs/dbraw/zinc/98/05/37/1069980537.db2.gz ZAGHJVPVLXMCDJ-WOJGMQOQSA-N -1 0 501.753 5.892 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408814475 1069980619 /nfs/dbraw/zinc/98/06/19/1069980619.db2.gz PHVJMRUQTNZFLJ-VCHYOVAHSA-N -1 0 559.789 5.679 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408823089 1069985953 /nfs/dbraw/zinc/98/59/53/1069985953.db2.gz DMMPFNRNPOAOAE-WGOQTCKBSA-N -1 0 607.062 7.217 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1Br ZINC000408824257 1069991569 /nfs/dbraw/zinc/99/15/69/1069991569.db2.gz HPBRLNDDLHILEB-UDWIEESQSA-N -1 0 541.785 5.357 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408819882 1069992923 /nfs/dbraw/zinc/99/29/23/1069992923.db2.gz YSZWUCVREYABRO-FYJGNVAPSA-N -1 0 569.795 5.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408821399 1069996734 /nfs/dbraw/zinc/99/67/34/1069996734.db2.gz GYHXHVJRZDYWHS-VIHJNDTQSA-N -1 0 676.213 8.070 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408821853 1069999348 /nfs/dbraw/zinc/99/93/48/1069999348.db2.gz KVVFTWJEHOEZQO-ZCTHSVRISA-N -1 0 619.073 7.326 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408822004 1069999908 /nfs/dbraw/zinc/99/99/08/1069999908.db2.gz AYFJQCSZAOAENU-BRJLIKDPSA-N -1 0 774.351 7.339 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408822018 1070000091 /nfs/dbraw/zinc/00/00/91/1070000091.db2.gz ADDTVHCUJXXIDI-RCFBDEJTSA-N -1 0 774.715 9.725 40 10 KKCBRM CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408822112 1070000670 /nfs/dbraw/zinc/00/06/70/1070000670.db2.gz BGFSFZRPQOWUNY-HYARGMPZSA-N -1 0 569.839 6.135 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OC ZINC000408822109 1070000914 /nfs/dbraw/zinc/00/09/14/1070000914.db2.gz BFZCTKGMKPXJJI-AYJIWNBDSA-N -1 0 678.583 7.010 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Br ZINC000408822180 1070001451 /nfs/dbraw/zinc/00/14/51/1070001451.db2.gz ANQIVDBUTUNFTP-MUFRIFMGSA-N -1 0 716.415 9.042 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc5c6c(c4)[C@H](c4ccccc4)CCN6CC[C@H]5c4ccccc4)C3=O)cc2)cc1 ZINC000408828050 1070008923 /nfs/dbraw/zinc/00/89/23/1070008923.db2.gz LIWABMWPVBCIRT-SKKYBIGGSA-N -1 0 659.786 8.118 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408824456 1070009966 /nfs/dbraw/zinc/00/99/66/1070009966.db2.gz QHWKDSDHGBWYBH-MUFRIFMGSA-N -1 0 645.539 7.833 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1Br ZINC000408824593 1070010504 /nfs/dbraw/zinc/01/05/04/1070010504.db2.gz RFMOECKCBJQWAR-ODRLJNDOSA-N -1 0 676.611 7.780 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408830164 1070017250 /nfs/dbraw/zinc/01/72/50/1070017250.db2.gz YFHJNZXKIZEOLU-VULFUBBASA-N -1 0 652.874 7.379 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408829395 1070015915 /nfs/dbraw/zinc/01/59/15/1070015915.db2.gz FTIKTGTZWQRLMF-MOSHPQCFSA-N -1 0 619.810 8.064 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Br)cc5)cc4)C3=O)cc2Cl)c1 ZINC000408829947 1070016577 /nfs/dbraw/zinc/01/65/77/1070016577.db2.gz NKESWKUPHIFGAT-JVWAILMASA-N -1 0 631.910 7.235 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408828910 1070014947 /nfs/dbraw/zinc/01/49/47/1070014947.db2.gz OEYGMHXTLWFSNS-FDAWAROLSA-N -1 0 667.545 8.370 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000408830536 1070017881 /nfs/dbraw/zinc/01/78/81/1070017881.db2.gz YMRFLHARLSBXRD-DHRITJCHSA-N -1 0 686.773 8.234 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408831984 1070021940 /nfs/dbraw/zinc/02/19/40/1070021940.db2.gz QNUMMGSPTIUDIO-VULFUBBASA-N -1 0 729.354 7.431 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408832037 1070022342 /nfs/dbraw/zinc/02/23/42/1070022342.db2.gz QXYSUWXDFUSOHG-UZWMFBFFSA-N -1 0 633.498 7.427 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408832100 1070022671 /nfs/dbraw/zinc/02/26/71/1070022671.db2.gz PWXZULMXWXAHMJ-OGLMXYFKSA-N -1 0 617.883 6.927 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408832930 1070025228 /nfs/dbraw/zinc/02/52/28/1070025228.db2.gz SGMIGNASSIRDRY-ICRUSFEGSA-N -1 0 680.204 8.463 40 10 KKCBRM CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Br ZINC000408828496 1070026148 /nfs/dbraw/zinc/02/61/48/1070026148.db2.gz MOEPHBMJGQUIAT-QPEQYQDCSA-N -1 0 531.712 5.575 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OC ZINC000408836761 1070028210 /nfs/dbraw/zinc/02/82/10/1070028210.db2.gz VGGGMIMSWSNIDI-RGVLZGJSSA-N -1 0 616.262 5.474 40 10 KKCBRM CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408836737 1070028254 /nfs/dbraw/zinc/02/82/54/1070028254.db2.gz UWGODCOTTGTWGW-OEAKJJBVSA-N -1 0 614.290 6.244 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408833952 1070032140 /nfs/dbraw/zinc/03/21/40/1070032140.db2.gz KNLHEASTAFFZIF-DHRITJCHSA-N -1 0 686.773 8.234 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1 ZINC000408834015 1070032388 /nfs/dbraw/zinc/03/23/88/1070032388.db2.gz KURAVVSSQJPJHT-GROJXTRYSA-N -1 0 709.846 9.271 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)c(OC)cc1Cl ZINC000408833624 1070031648 /nfs/dbraw/zinc/03/16/48/1070031648.db2.gz TYGXMWMFGYAICA-CAOOACKPSA-N -1 0 596.250 6.563 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408834533 1070034219 /nfs/dbraw/zinc/03/42/19/1070034219.db2.gz UNRCHTOPLPLYOU-NHXUXXGXSA-N -1 0 689.812 8.127 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408834699 1070035020 /nfs/dbraw/zinc/03/50/20/1070035020.db2.gz VTVYELKOUFNVHL-LGJNPRDNSA-N -1 0 777.826 8.475 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OC ZINC000408834770 1070035059 /nfs/dbraw/zinc/03/50/59/1070035059.db2.gz LUILLKBCMPZVJX-KZAQHKBISA-N -1 0 634.132 6.901 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OC ZINC000408834773 1070035166 /nfs/dbraw/zinc/03/51/66/1070035166.db2.gz LUILLKBCMPZVJX-QZWVCBERSA-N -1 0 634.132 6.901 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408835783 1070038535 /nfs/dbraw/zinc/03/85/35/1070038535.db2.gz YJVPYGVVWCDELV-DHRITJCHSA-N -1 0 686.375 8.523 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408846319 1070053258 /nfs/dbraw/zinc/05/32/58/1070053258.db2.gz JLCLXCDRBDGSCJ-RGVLZGJSSA-N -1 0 736.313 6.005 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408846456 1070054047 /nfs/dbraw/zinc/05/40/47/1070054047.db2.gz JQRBJNCSVNKNNS-LICLKQGHSA-N -1 0 606.325 6.483 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408847038 1070055155 /nfs/dbraw/zinc/05/51/55/1070055155.db2.gz LCXHPGZFZBIVBS-UDWIEESQSA-N -1 0 642.358 7.328 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408848084 1070057039 /nfs/dbraw/zinc/05/70/39/1070057039.db2.gz OUSLSJOWKRGZOM-XODNFHPESA-N -1 0 642.108 6.970 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408847704 1070056256 /nfs/dbraw/zinc/05/62/56/1070056256.db2.gz ODFZPPIRAGXUHZ-VGOFMYFVSA-N -1 0 708.188 7.324 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408850040 1070063509 /nfs/dbraw/zinc/06/35/09/1070063509.db2.gz DIBFAOYZQYKYBZ-LICLKQGHSA-N -1 0 529.405 5.449 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408850227 1070064097 /nfs/dbraw/zinc/06/40/97/1070064097.db2.gz IUKICOGSHZFMAF-DEDYPNTBSA-N -1 0 612.332 7.319 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408850126 1070064368 /nfs/dbraw/zinc/06/43/68/1070064368.db2.gz GJDJTVFOIASBNT-LICLKQGHSA-N -1 0 579.864 6.595 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408851054 1070065850 /nfs/dbraw/zinc/06/58/50/1070065850.db2.gz VILAMYFACUJJLI-KVSWJAHQSA-N -1 0 655.147 7.181 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408849555 1070062878 /nfs/dbraw/zinc/06/28/78/1070062878.db2.gz XHJJRLRQLPQICR-LICLKQGHSA-N -1 0 606.325 6.483 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408858015 1070068629 /nfs/dbraw/zinc/06/86/29/1070068629.db2.gz RCLANYGEWFUZHK-CXUHLZMHSA-N -1 0 718.194 6.779 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408857915 1070069047 /nfs/dbraw/zinc/06/90/47/1070069047.db2.gz QCBKJPAOULLJRQ-OQLLNIDSSA-N -1 0 582.292 6.719 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408856845 1070067108 /nfs/dbraw/zinc/06/71/08/1070067108.db2.gz RITSHAYVKZKZFE-LZYBPNLTSA-N -1 0 722.215 7.714 40 10 KKCBRM CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408854659 1070072572 /nfs/dbraw/zinc/07/25/72/1070072572.db2.gz AVLBHKWTJDAYIC-IZZDOVSWSA-N -1 0 592.682 5.183 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1C ZINC000408854691 1070072738 /nfs/dbraw/zinc/07/27/38/1070072738.db2.gz BJGBQAAJAZXGAT-CIAFOILYSA-N -1 0 631.264 5.916 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408855451 1070074370 /nfs/dbraw/zinc/07/43/70/1070074370.db2.gz FDHZSUPVHVPVFN-VIZOYTHASA-N -1 0 616.737 7.373 40 10 KKCBRM COc1cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408859918 1070076357 /nfs/dbraw/zinc/07/63/57/1070076357.db2.gz VLUBDXCIRKHOFS-WYEJZRMESA-N -1 0 575.286 7.868 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)c1 ZINC000408859953 1070076441 /nfs/dbraw/zinc/07/64/41/1070076441.db2.gz WAVCERCSHZZXHV-YBFXNURJSA-N -1 0 589.859 6.690 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408865819 1070084304 /nfs/dbraw/zinc/08/43/04/1070084304.db2.gz DUSOFLHOEXQLMR-VCHYOVAHSA-N -1 0 513.352 5.707 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408865054 1070082078 /nfs/dbraw/zinc/08/20/78/1070082078.db2.gz BIQKDJSYLCIVKD-HZHRSRAPSA-N -1 0 502.998 5.921 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3Br)C2=O)cc1 ZINC000408865805 1070084122 /nfs/dbraw/zinc/08/41/22/1070084122.db2.gz FTYDKGZTQRNQBQ-PXLXIMEGSA-N -1 0 568.265 6.031 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408865788 1070084207 /nfs/dbraw/zinc/08/42/07/1070084207.db2.gz FQSCKXMBZGWOQM-SSDVNMTOSA-N -1 0 519.941 5.131 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408865863 1070084237 /nfs/dbraw/zinc/08/42/37/1070084237.db2.gz CIEOWKUEWXVVOC-LPYMAVHISA-N -1 0 598.412 5.649 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408865921 1070084280 /nfs/dbraw/zinc/08/42/80/1070084280.db2.gz FICVEAZKYXMDIN-ZVHZXABRSA-N -1 0 517.025 6.230 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Br ZINC000408868659 1070089941 /nfs/dbraw/zinc/08/99/41/1070089941.db2.gz PHZVHWXOVANNPL-UDWIEESQSA-N -1 0 574.656 6.122 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408870604 1070094098 /nfs/dbraw/zinc/09/40/98/1070094098.db2.gz WFXHWIWYPOWYMK-BUVRLJJBSA-N -1 0 516.981 5.391 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408872623 1070097683 /nfs/dbraw/zinc/09/76/83/1070097683.db2.gz HQTAIRYIPNLCBJ-CIAFOILYSA-N -1 0 600.384 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Cl)c1 ZINC000408874197 1070100761 /nfs/dbraw/zinc/10/07/61/1070100761.db2.gz ZVLUPGOPSMJQFF-VXLYETTFSA-N -1 0 540.757 5.268 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408874098 1070100867 /nfs/dbraw/zinc/10/08/67/1070100867.db2.gz YOTDYUNVNPWCPE-KEBDBYFISA-N -1 0 557.803 5.816 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Br ZINC000408873992 1070100879 /nfs/dbraw/zinc/10/08/79/1070100879.db2.gz YHWRQDDAXJPABS-UDWIEESQSA-N -1 0 585.208 5.377 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Br)c3)C2=O)c1 ZINC000408879758 1070104128 /nfs/dbraw/zinc/10/41/28/1070104128.db2.gz DAJRVWJMFDXQJX-UDWIEESQSA-N -1 0 507.359 5.462 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408879592 1070103127 /nfs/dbraw/zinc/10/31/27/1070103127.db2.gz HAGLULRNHIHFKL-YBFXNURJSA-N -1 0 569.839 5.973 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408879940 1070104881 /nfs/dbraw/zinc/10/48/81/1070104881.db2.gz HZDNJDMEWLAMCN-RGVLZGJSSA-N -1 0 553.384 5.459 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408880571 1070108123 /nfs/dbraw/zinc/10/81/23/1070108123.db2.gz IHZUBHHBNKKQKQ-LPYMAVHISA-N -1 0 630.410 5.473 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(Cc3ccccc3Cl)c(OC)c2)C1=O ZINC000408877089 1070111098 /nfs/dbraw/zinc/11/10/98/1070111098.db2.gz PRAULTVJMQMJDJ-NDENLUEZSA-N -1 0 509.389 5.822 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1 ZINC000408877572 1070112909 /nfs/dbraw/zinc/11/29/09/1070112909.db2.gz SLAVXWQHHGTWFG-KGENOOAVSA-N -1 0 509.345 5.037 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3Br)cc2)C1=O ZINC000408877744 1070112925 /nfs/dbraw/zinc/11/29/25/1070112925.db2.gz UGMLGFDKHPZSTM-DEDYPNTBSA-N -1 0 509.787 5.668 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3F)C2=O)c(C)c1 ZINC000408877917 1070113663 /nfs/dbraw/zinc/11/36/63/1070113663.db2.gz YBBSZXTXDFXRKM-KGENOOAVSA-N -1 0 507.359 5.462 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408883820 1070117514 /nfs/dbraw/zinc/11/75/14/1070117514.db2.gz RBZQCHQRPOIYTI-CIAFOILYSA-N -1 0 570.358 5.005 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408884421 1070118502 /nfs/dbraw/zinc/11/85/02/1070118502.db2.gz XTNBBCFEJJBRAI-YDZHTSKRSA-N -1 0 659.318 6.326 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408884438 1070119149 /nfs/dbraw/zinc/11/91/49/1070119149.db2.gz XWFHPQPCFDMWPA-RGVLZGJSSA-N -1 0 618.709 6.521 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000408885151 1070120195 /nfs/dbraw/zinc/12/01/95/1070120195.db2.gz XGVGUGFJZPVAHI-NDENLUEZSA-N -1 0 535.940 5.065 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408885292 1070120928 /nfs/dbraw/zinc/12/09/28/1070120928.db2.gz YQOCNWIGMXLVHP-BKUYFWCQSA-N -1 0 549.967 5.455 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408885809 1070121706 /nfs/dbraw/zinc/12/17/06/1070121706.db2.gz BCWGNIVMCRKTNW-OEAKJJBVSA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408883114 1070128566 /nfs/dbraw/zinc/12/85/66/1070128566.db2.gz RJKHBQSWNDHNEI-LFVJCYFKSA-N -1 0 546.988 5.236 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408883267 1070128590 /nfs/dbraw/zinc/12/85/90/1070128590.db2.gz OXPIMQXRTSDDBH-NLRVBDNBSA-N -1 0 583.438 6.036 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408888372 1070129312 /nfs/dbraw/zinc/12/93/12/1070129312.db2.gz UWLIBVZVOVKJCB-VXLYETTFSA-N -1 0 634.829 6.036 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c1 ZINC000408882108 1070125985 /nfs/dbraw/zinc/12/59/85/1070125985.db2.gz PXHOSBQFQNDKTE-YDZHTSKRSA-N -1 0 533.422 5.928 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408889540 1070131824 /nfs/dbraw/zinc/13/18/24/1070131824.db2.gz DXGITJSCAKEJTO-RGVLZGJSSA-N -1 0 539.357 5.151 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408889949 1070132535 /nfs/dbraw/zinc/13/25/35/1070132535.db2.gz LPCLCAMRCGVVEF-LFIBNONCSA-N -1 0 529.749 5.487 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408890927 1070133901 /nfs/dbraw/zinc/13/39/01/1070133901.db2.gz INEIAHSTSWOMAS-YBFXNURJSA-N -1 0 691.272 5.094 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408893760 1070140310 /nfs/dbraw/zinc/14/03/10/1070140310.db2.gz HJGPJUWHFUHEBZ-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408893587 1070140336 /nfs/dbraw/zinc/14/03/36/1070140336.db2.gz BGCNUEIQBDYQHA-XKZIYDEJSA-N -1 0 599.865 6.145 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408886104 1070135405 /nfs/dbraw/zinc/13/54/05/1070135405.db2.gz DJIUBEHFUXDOHR-UDWIEESQSA-N -1 0 613.848 5.533 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408894197 1070142016 /nfs/dbraw/zinc/14/20/16/1070142016.db2.gz BOOVCQZAVKUSHU-ODLFYWEKSA-N -1 0 632.280 6.303 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408895275 1070145348 /nfs/dbraw/zinc/14/53/48/1070145348.db2.gz DLVXRNJZHWWFQF-JLPGSUDCSA-N -1 0 704.539 5.611 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000408896833 1070151753 /nfs/dbraw/zinc/15/17/53/1070151753.db2.gz UAVHJCIOVPLLRA-CIAFOILYSA-N -1 0 539.813 5.965 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408892204 1070152908 /nfs/dbraw/zinc/15/29/08/1070152908.db2.gz XUHZMZSWDJQCSJ-YBFXNURJSA-N -1 0 525.388 5.864 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000408893516 1070156197 /nfs/dbraw/zinc/15/61/97/1070156197.db2.gz AWJNZCBNAHOJTI-WOJGMQOQSA-N -1 0 637.655 5.953 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408899467 1070157702 /nfs/dbraw/zinc/15/77/02/1070157702.db2.gz PQJCDRVZLRTDLS-SSDVNMTOSA-N -1 0 553.442 6.563 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408900416 1070163489 /nfs/dbraw/zinc/16/34/89/1070163489.db2.gz YIYCHAMWNHCVDB-GRSHGNNSSA-N -1 0 618.253 5.913 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCC)c(Br)c3)C2=O)cc1 ZINC000408900809 1070165139 /nfs/dbraw/zinc/16/51/39/1070165139.db2.gz VGSWJZNFDINDMO-RGEXLXHISA-N -1 0 501.377 5.083 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408901130 1070166809 /nfs/dbraw/zinc/16/68/09/1070166809.db2.gz WAEXNIAYLUPSOX-MTJSOVHGSA-N -1 0 600.263 5.774 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)ccc1Br ZINC000408897234 1070171000 /nfs/dbraw/zinc/17/10/00/1070171000.db2.gz IMRQVFGKZJQDLY-VEILYXNESA-N -1 0 605.488 7.618 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408901369 1070167797 /nfs/dbraw/zinc/16/77/97/1070167797.db2.gz XMIAGURUPHSGKV-UUYOSTAYSA-N -1 0 603.886 7.080 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408897769 1070172328 /nfs/dbraw/zinc/17/23/28/1070172328.db2.gz TWPWKATUPILINP-VXLYETTFSA-N -1 0 545.806 6.291 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408897619 1070172358 /nfs/dbraw/zinc/17/23/58/1070172358.db2.gz YZKARLKENHUFBD-MTDXEUNCSA-N -1 0 548.595 5.879 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408898984 1070176866 /nfs/dbraw/zinc/17/68/66/1070176866.db2.gz NPPJRMQMPOJGEB-ODLFYWEKSA-N -1 0 740.186 6.769 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408897921 1070173178 /nfs/dbraw/zinc/17/31/78/1070173178.db2.gz JOSAPQWFYUHTIJ-UCQKPKSFSA-N -1 0 613.892 6.535 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)ccc1Br ZINC000408898331 1070173827 /nfs/dbraw/zinc/17/38/27/1070173827.db2.gz LFBPBZLEDAWLSW-NDENLUEZSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408898083 1070173895 /nfs/dbraw/zinc/17/38/95/1070173895.db2.gz KLVGSXVRWJEYSI-ODLFYWEKSA-N -1 0 600.384 5.301 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408904693 1070177394 /nfs/dbraw/zinc/17/73/94/1070177394.db2.gz NEBASMFHQBUQKQ-LPYMAVHISA-N -1 0 535.394 5.931 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)c1 ZINC000408898336 1070174569 /nfs/dbraw/zinc/17/45/69/1070174569.db2.gz LGNXLPRZUJJFSM-WGOQTCKBSA-N -1 0 555.428 6.465 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408898430 1070174585 /nfs/dbraw/zinc/17/45/85/1070174585.db2.gz MHBQIUCPWMIWSA-ITYLOYPMSA-N -1 0 524.548 6.013 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)ccc1Br ZINC000408898388 1070174715 /nfs/dbraw/zinc/17/47/15/1070174715.db2.gz LXUPPMIRPZDHHJ-MOSHPQCFSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000408898570 1070174779 /nfs/dbraw/zinc/17/47/79/1070174779.db2.gz XAJCNWYBKGAWKC-YZSQISJMSA-N -1 0 647.503 5.771 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)cc1 ZINC000408903392 1070186383 /nfs/dbraw/zinc/18/63/83/1070186383.db2.gz SOEQINFURYQBTE-OEAKJJBVSA-N -1 0 557.404 5.017 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408912901 1070191775 /nfs/dbraw/zinc/19/17/75/1070191775.db2.gz IBWCIIOCINHWBY-USHMODERSA-N -1 0 527.555 6.617 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408908323 1070193380 /nfs/dbraw/zinc/19/33/80/1070193380.db2.gz BREMTERRKONBIS-QGMBQPNBSA-N -1 0 530.295 5.286 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408917648 1070208608 /nfs/dbraw/zinc/20/86/08/1070208608.db2.gz ZDCXYKJMNBCNMI-ZDLGFXPLSA-N -1 0 575.843 5.661 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408913743 1070211474 /nfs/dbraw/zinc/21/14/74/1070211474.db2.gz NKKBGSJEAMVDQO-RGVLZGJSSA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408914577 1070214201 /nfs/dbraw/zinc/21/42/01/1070214201.db2.gz QWNZQINMZWHKLJ-SRZZPIQSSA-N -1 0 553.384 5.541 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408916682 1070221579 /nfs/dbraw/zinc/22/15/79/1070221579.db2.gz GCKMPOJGMVIULD-ODLFYWEKSA-N -1 0 501.366 5.543 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2)cc1 ZINC000408935961 1070274877 /nfs/dbraw/zinc/27/48/77/1070274877.db2.gz JBMKHJDOXRCISR-OVVQPSECSA-N -1 0 603.052 5.662 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408936047 1070274939 /nfs/dbraw/zinc/27/49/39/1070274939.db2.gz JTNDGICBWLXXBP-RGVLZGJSSA-N -1 0 647.809 5.497 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408938755 1070281043 /nfs/dbraw/zinc/28/10/43/1070281043.db2.gz RKPBEZZZEKJNNT-BUVRLJJBSA-N -1 0 607.877 7.471 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Br)cc4)c3)C2=O)c1 ZINC000408939480 1070283263 /nfs/dbraw/zinc/28/32/63/1070283263.db2.gz SRYXYUYZVLCSSR-HMAPJEAMSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408941607 1070289973 /nfs/dbraw/zinc/28/99/73/1070289973.db2.gz XIEORLPKTDGJQS-QRQIAZFYSA-N -1 0 573.432 6.818 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408937828 1070292782 /nfs/dbraw/zinc/29/27/82/1070292782.db2.gz PDRCMEOAYFEGHK-IUXPMGMMSA-N -1 0 674.772 6.357 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408942263 1070302336 /nfs/dbraw/zinc/30/23/36/1070302336.db2.gz YQABELOKHWIJJU-ZVHZXABRSA-N -1 0 621.448 6.966 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408948954 1070313430 /nfs/dbraw/zinc/31/34/30/1070313430.db2.gz HNJNNJZPDYECEV-FSJBWODESA-N -1 0 615.436 5.975 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408948781 1070313705 /nfs/dbraw/zinc/31/37/05/1070313705.db2.gz GQZQHFZVVALTJG-KIBLKLHPSA-N -1 0 714.871 9.123 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408953911 1070317036 /nfs/dbraw/zinc/31/70/36/1070317036.db2.gz QMMDNNSCIGZFPV-ATZGPIRCSA-N -1 0 705.649 8.714 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408955194 1070318787 /nfs/dbraw/zinc/31/87/87/1070318787.db2.gz TYNIHZPRSDDRNU-FJEPWZHXSA-N -1 0 669.616 7.869 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408955890 1070322794 /nfs/dbraw/zinc/32/27/94/1070322794.db2.gz VBHQKQLKLSFZOH-FJEPWZHXSA-N -1 0 669.616 7.869 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408984019 1070339870 /nfs/dbraw/zinc/33/98/70/1070339870.db2.gz PHZAXAMDQQJKJE-XKZIYDEJSA-N -1 0 614.411 5.637 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408983893 1070343575 /nfs/dbraw/zinc/34/35/75/1070343575.db2.gz NZWWKKLJCPVLCN-JAIQZWGSSA-N -1 0 618.709 6.673 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408985158 1070344947 /nfs/dbraw/zinc/34/49/47/1070344947.db2.gz VXKQHEALTDRJEP-FMCGGJTJSA-N -1 0 652.872 6.660 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)cc1Cl ZINC000408984928 1070345090 /nfs/dbraw/zinc/34/50/90/1070345090.db2.gz UIONDYOAIDVQOH-YSMPRRRNSA-N -1 0 519.988 6.471 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)C2=O)cc1 ZINC000408985751 1070346560 /nfs/dbraw/zinc/34/65/60/1070346560.db2.gz YIPGJMWPCJHNBT-IWIPYMOSSA-N -1 0 532.427 6.534 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1Br ZINC000408987370 1070349434 /nfs/dbraw/zinc/34/94/34/1070349434.db2.gz WXBDBJIMMSZMPU-LDADJPATSA-N -1 0 507.340 5.933 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)C2=O)cc1 ZINC000408984884 1070353889 /nfs/dbraw/zinc/35/38/89/1070353889.db2.gz UBXQYJUQGLNJFG-ODLFYWEKSA-N -1 0 604.284 6.572 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408992023 1070359406 /nfs/dbraw/zinc/35/94/06/1070359406.db2.gz PZZZUMAASUVKNQ-MFKUBSTISA-N -1 0 663.737 7.200 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)cc1 ZINC000408988767 1070361205 /nfs/dbraw/zinc/36/12/05/1070361205.db2.gz RMEVTOLWCGDERX-OCKHKDLRSA-N -1 0 628.273 5.748 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408993445 1070368717 /nfs/dbraw/zinc/36/87/17/1070368717.db2.gz CZCHXTRSTCGXFJ-LZYBPNLTSA-N -1 0 689.571 7.426 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408995083 1070372183 /nfs/dbraw/zinc/37/21/83/1070372183.db2.gz IPRLVCUHHHLVHM-YBFXNURJSA-N -1 0 609.272 6.008 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409031132 1070415251 /nfs/dbraw/zinc/41/52/51/1070415251.db2.gz IXMZAPSWONXZIY-OVCLIPMQSA-N -1 0 581.291 6.228 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000409041042 1070429761 /nfs/dbraw/zinc/42/97/61/1070429761.db2.gz HZSFFBDEFKSGHJ-VCHYOVAHSA-N -1 0 543.334 5.165 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(C)C)C1=O ZINC000409040574 1070436327 /nfs/dbraw/zinc/43/63/27/1070436327.db2.gz GSYICENGJSIDBR-FRKPEAEDSA-N -1 0 570.665 5.875 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409042444 1070447483 /nfs/dbraw/zinc/44/74/83/1070447483.db2.gz MYTMLOUNGKHBNE-GIJQJNRQSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409046625 1070448861 /nfs/dbraw/zinc/44/88/61/1070448861.db2.gz KPAKEAPJXCWZFS-CAOOACKPSA-N -1 0 622.672 6.558 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409043605 1070449640 /nfs/dbraw/zinc/44/96/40/1070449640.db2.gz RZFJGGMLUKNMRD-GIJQJNRQSA-N -1 0 590.199 5.302 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409043881 1070450211 /nfs/dbraw/zinc/45/02/11/1070450211.db2.gz BDDRPBIBCSBLBD-MHWRWJLKSA-N -1 0 519.743 6.031 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409045624 1070454587 /nfs/dbraw/zinc/45/45/87/1070454587.db2.gz GTHCHTGUKRWQMY-RQZCQDPDSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409048935 1070462188 /nfs/dbraw/zinc/46/21/88/1070462188.db2.gz VBWSYPGLMDRQLK-RQZCQDPDSA-N -1 0 517.752 5.598 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409049587 1070462703 /nfs/dbraw/zinc/46/27/03/1070462703.db2.gz WUTULDQKCUKDNY-VXLYETTFSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409049811 1070463669 /nfs/dbraw/zinc/46/36/69/1070463669.db2.gz XPLCYAJKHQUKAS-VCHYOVAHSA-N -1 0 590.199 5.302 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000409049844 1070463779 /nfs/dbraw/zinc/46/37/79/1070463779.db2.gz YCEUKDGDYYKYHO-RGVLZGJSSA-N -1 0 559.789 5.679 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409053448 1070473564 /nfs/dbraw/zinc/47/35/64/1070473564.db2.gz CSZBBHDTKBNTLQ-KEBDBYFISA-N -1 0 580.251 6.944 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409060443 1070473624 /nfs/dbraw/zinc/47/36/24/1070473624.db2.gz ZYXIHYILAOWXSS-VGOFMYFVSA-N -1 0 556.638 5.629 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409054496 1070475044 /nfs/dbraw/zinc/47/50/44/1070475044.db2.gz GPWRPSZEZANOBR-FYJGNVAPSA-N -1 0 613.262 5.204 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409068107 1070484711 /nfs/dbraw/zinc/48/47/11/1070484711.db2.gz SSGZERLEKDJELP-OVCLIPMQSA-N -1 0 586.236 5.734 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409077424 1070493043 /nfs/dbraw/zinc/49/30/43/1070493043.db2.gz DQUQHJDDVYIOLH-WLRTZDKTSA-N -1 0 701.067 6.794 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080471 1070502095 /nfs/dbraw/zinc/50/20/95/1070502095.db2.gz ICGYSADLYOFBCT-RQZCQDPDSA-N -1 0 570.873 5.153 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082752 1070507136 /nfs/dbraw/zinc/50/71/36/1070507136.db2.gz QXXRHARWLYUVDS-GZTJUZNOSA-N -1 0 531.830 5.726 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079642 1070515717 /nfs/dbraw/zinc/51/57/17/1070515717.db2.gz LNHRDABCLDTEKX-VCHYOVAHSA-N -1 0 725.370 5.862 40 10 KKCBRM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409090529 1070524977 /nfs/dbraw/zinc/52/49/77/1070524977.db2.gz RAJXKFXBEPJFGD-CIAFOILYSA-N -1 0 526.954 5.372 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409090846 1070525446 /nfs/dbraw/zinc/52/54/46/1070525446.db2.gz PAYBIPUWMWHHGA-YVLHZVERSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409100314 1070533324 /nfs/dbraw/zinc/53/33/24/1070533324.db2.gz UIRNDWBBOJQNIH-YDZHTSKRSA-N -1 0 584.513 6.839 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409103223 1070535591 /nfs/dbraw/zinc/53/55/91/1070535591.db2.gz FYAMMCDWAFGSNX-HZHRSRAPSA-N -1 0 594.882 7.300 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)c1 ZINC000409108434 1070542757 /nfs/dbraw/zinc/54/27/57/1070542757.db2.gz UADFSTCSAADFRQ-HYARGMPZSA-N -1 0 543.048 5.382 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409130595 1070557275 /nfs/dbraw/zinc/55/72/75/1070557275.db2.gz WQMZUCWAEIHRFH-CIAFOILYSA-N -1 0 722.408 5.747 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409137268 1070561367 /nfs/dbraw/zinc/56/13/67/1070561367.db2.gz WIIXHXJTUXETMZ-ADFUCPMPSA-N -1 0 517.445 5.083 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409140540 1070563998 /nfs/dbraw/zinc/56/39/98/1070563998.db2.gz FIQXOOLRZDJYRI-YDZHTSKRSA-N -1 0 613.494 6.431 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)c(Cl)c1 ZINC000409142582 1070569854 /nfs/dbraw/zinc/56/98/54/1070569854.db2.gz DUABQROCSXAWFY-JAIQZWGSSA-N -1 0 512.996 5.461 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409166862 1070584673 /nfs/dbraw/zinc/58/46/73/1070584673.db2.gz HCBWPYUHQJILBT-MEFGMAGPSA-N -1 0 555.659 6.651 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409187993 1070596981 /nfs/dbraw/zinc/59/69/81/1070596981.db2.gz DZQVYWJTOZJEKA-LFVJCYFKSA-N -1 0 583.468 6.422 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186192 1070606254 /nfs/dbraw/zinc/60/62/54/1070606254.db2.gz YMDUHQBPFQRSBS-DGWBYFALSA-N -1 0 776.311 8.409 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409190484 1070607627 /nfs/dbraw/zinc/60/76/27/1070607627.db2.gz OLGPSKLFLXLSFA-OGLMXYFKSA-N -1 0 643.136 7.320 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409191662 1070609186 /nfs/dbraw/zinc/60/91/86/1070609186.db2.gz KFILUQZPDYHSHE-OEAKJJBVSA-N -1 0 601.458 6.561 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409194158 1070612733 /nfs/dbraw/zinc/61/27/33/1070612733.db2.gz NNCKBPLICZFWRF-JVWAILMASA-N -1 0 720.560 6.882 40 10 KKCBRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)o1 ZINC000409197171 1070617279 /nfs/dbraw/zinc/61/72/79/1070617279.db2.gz XQGWHYZJCUNLNR-ZDLGFXPLSA-N -1 0 520.813 6.467 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000409189781 1070620758 /nfs/dbraw/zinc/62/07/58/1070620758.db2.gz IRJSLMOGSIHSPH-OEAKJJBVSA-N -1 0 627.919 6.531 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409220754 1070647804 /nfs/dbraw/zinc/64/78/04/1070647804.db2.gz FIDDKDWFZBKLHI-WFSQQTBHSA-N -1 0 507.837 5.420 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409231014 1070656849 /nfs/dbraw/zinc/65/68/49/1070656849.db2.gz ATRNLYDMQKRJCR-YBFXNURJSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c1 ZINC000409248386 1070664810 /nfs/dbraw/zinc/66/48/10/1070664810.db2.gz GAVBCJGSHIOZCU-NHDPSOOVSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1Cl ZINC000409255331 1070674126 /nfs/dbraw/zinc/67/41/26/1070674126.db2.gz HHHHQYPOWNBISS-ZDLGFXPLSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409256195 1070675441 /nfs/dbraw/zinc/67/54/41/1070675441.db2.gz KGZDPZBPJGLKSB-GRSHGNNSSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c1C ZINC000409266426 1070690370 /nfs/dbraw/zinc/69/03/70/1070690370.db2.gz YQVYSMBEKRKBGO-ZDLGFXPLSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409251547 1070681852 /nfs/dbraw/zinc/68/18/52/1070681852.db2.gz RAYFMVDDMXJWIM-MOSHPQCFSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409251695 1070682535 /nfs/dbraw/zinc/68/25/35/1070682535.db2.gz BDLMIKGZSGWPNC-GIJQJNRQSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409252519 1070683809 /nfs/dbraw/zinc/68/38/09/1070683809.db2.gz CCYUJJISBSVPNR-PDGQHHTCSA-N -1 0 614.905 5.350 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000409265784 1070689878 /nfs/dbraw/zinc/68/98/78/1070689878.db2.gz PESXNOYIFNDOPQ-JAIQZWGSSA-N -1 0 617.283 6.057 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252833 1070684623 /nfs/dbraw/zinc/68/46/23/1070684623.db2.gz FEUDJHKLJHABDJ-GRSHGNNSSA-N -1 0 661.336 6.455 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409267847 1070692789 /nfs/dbraw/zinc/69/27/89/1070692789.db2.gz PHLPAVBZELOYEC-JMIUGGIZSA-N -1 0 708.336 6.297 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1 ZINC000409260602 1070696363 /nfs/dbraw/zinc/69/63/63/1070696363.db2.gz SRIBEPXVHPSLPP-HYARGMPZSA-N -1 0 547.995 5.039 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408879726 1070792533 /nfs/dbraw/zinc/79/25/33/1070792533.db2.gz FCHZCVSJAWWXQS-CIAFOILYSA-N -1 0 612.318 6.484 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)c1 ZINC000408880084 1070790013 /nfs/dbraw/zinc/79/00/13/1070790013.db2.gz HAWIQOKFSWGGPC-XDHOZWIPSA-N -1 0 570.237 5.765 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408880160 1070790062 /nfs/dbraw/zinc/79/00/62/1070790062.db2.gz DSNNPRFDAKNQKK-CIAFOILYSA-N -1 0 659.318 6.326 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408880000 1070791199 /nfs/dbraw/zinc/79/11/99/1070791199.db2.gz GMYFTDPQVLPPLY-PCLIKHOPSA-N -1 0 617.883 6.927 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408880870 1070786267 /nfs/dbraw/zinc/78/62/67/1070786267.db2.gz JEPUZBDTMMJVQU-RGVLZGJSSA-N -1 0 630.866 6.124 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408880714 1070787025 /nfs/dbraw/zinc/78/70/25/1070787025.db2.gz KNLWWXPPCOLSDC-WOJGMQOQSA-N -1 0 604.284 6.708 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408879481 1070793126 /nfs/dbraw/zinc/79/31/26/1070793126.db2.gz DQFGNWQUBCWFPD-VXLYETTFSA-N -1 0 575.426 5.053 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3cc(C)cc(C)c3)c(OC)c2)C1=O ZINC000408879609 1070793812 /nfs/dbraw/zinc/79/38/12/1070793812.db2.gz FMWYOZKUYCUHNQ-XKZIYDEJSA-N -1 0 610.448 5.724 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408879569 1070793903 /nfs/dbraw/zinc/79/39/03/1070793903.db2.gz BVJOUHJULDFDFI-RGVLZGJSSA-N -1 0 555.812 5.464 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408879365 1070793977 /nfs/dbraw/zinc/79/39/77/1070793977.db2.gz FNRWCFRVUXQYFF-DJKKODMXSA-N -1 0 621.258 6.172 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)c1 ZINC000408879460 1070794563 /nfs/dbraw/zinc/79/45/63/1070794563.db2.gz DOLJJULZTJHVIW-LFVJCYFKSA-N -1 0 541.401 6.156 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408879231 1070795427 /nfs/dbraw/zinc/79/54/27/1070795427.db2.gz CISAIQWUAVNJPM-YVLHZVERSA-N -1 0 635.227 5.459 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408878943 1070797008 /nfs/dbraw/zinc/79/70/08/1070797008.db2.gz DGMCHSHKIHNJGD-VXLYETTFSA-N -1 0 637.257 6.242 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408878871 1070798766 /nfs/dbraw/zinc/79/87/66/1070798766.db2.gz DALNBQFLDCFOEC-OEAKJJBVSA-N -1 0 533.422 5.722 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1C ZINC000408878040 1070802434 /nfs/dbraw/zinc/80/24/34/1070802434.db2.gz VUCBGWZJJPHICM-MOSHPQCFSA-N -1 0 523.358 5.450 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1F ZINC000408877436 1070806671 /nfs/dbraw/zinc/80/66/71/1070806671.db2.gz ROIVBAKZFXIERK-UDWIEESQSA-N -1 0 513.750 5.499 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408877455 1070807599 /nfs/dbraw/zinc/80/75/99/1070807599.db2.gz RPTQGHHQSPSXEY-BKUYFWCQSA-N -1 0 567.867 6.321 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408889066 1070809973 /nfs/dbraw/zinc/80/99/73/1070809973.db2.gz BJIVUWYQFNWWAK-YBEGLDIGSA-N -1 0 651.226 5.447 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408888611 1070813137 /nfs/dbraw/zinc/81/31/37/1070813137.db2.gz XVVHIRFEUGASLD-KEBDBYFISA-N -1 0 529.351 5.777 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408888378 1070814268 /nfs/dbraw/zinc/81/42/68/1070814268.db2.gz UYEQPWOBBOQPQR-UDWIEESQSA-N -1 0 630.866 6.206 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)c1C ZINC000408888175 1070815557 /nfs/dbraw/zinc/81/55/57/1070815557.db2.gz SXEGSVDKQIQSPU-LFVJCYFKSA-N -1 0 510.977 6.355 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408890867 1070821744 /nfs/dbraw/zinc/82/17/44/1070821744.db2.gz HQQRBOXEQXCJNY-YBFXNURJSA-N -1 0 590.257 6.400 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408896704 1070828190 /nfs/dbraw/zinc/82/81/90/1070828190.db2.gz HMJVWVVYPGKPCS-UCQKPKSFSA-N -1 0 613.892 6.535 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408897009 1070824687 /nfs/dbraw/zinc/82/46/87/1070824687.db2.gz PRBOBLVWQZVKCH-HZHRSRAPSA-N -1 0 527.920 5.647 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408896762 1070829071 /nfs/dbraw/zinc/82/90/71/1070829071.db2.gz HVUZVHNKQYFUOG-NHDPSOOVSA-N -1 0 634.310 6.799 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408896564 1070829857 /nfs/dbraw/zinc/82/98/57/1070829857.db2.gz SABGZVUYXDOXCU-LPYMAVHISA-N -1 0 566.969 5.300 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409329075 1070830219 /nfs/dbraw/zinc/83/02/19/1070830219.db2.gz CIRWIKNTDXCUKI-QPEQYQDCSA-N -1 0 599.640 5.661 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408896684 1070832179 /nfs/dbraw/zinc/83/21/79/1070832179.db2.gz HJALJMRVUODHKK-JLPGSUDCSA-N -1 0 534.996 5.773 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408896466 1070832768 /nfs/dbraw/zinc/83/27/68/1070832768.db2.gz RIFKVAYFDCRBHT-GIJQJNRQSA-N -1 0 655.247 6.381 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408896049 1070837161 /nfs/dbraw/zinc/83/71/61/1070837161.db2.gz GMCMYDIDYBLSQE-HMAPJEAMSA-N -1 0 553.384 5.622 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408895896 1070839792 /nfs/dbraw/zinc/83/97/92/1070839792.db2.gz GAJHFLMEPJDLSV-HAHDFKILSA-N -1 0 520.969 5.383 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408895918 1070839944 /nfs/dbraw/zinc/83/99/44/1070839944.db2.gz GDECZUFESSIWTO-MTJSOVHGSA-N -1 0 648.337 7.189 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408895684 1070840433 /nfs/dbraw/zinc/84/04/33/1070840433.db2.gz FFFQESNKUZMNEL-RGVLZGJSSA-N -1 0 572.376 5.215 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408895683 1070840538 /nfs/dbraw/zinc/84/05/38/1070840538.db2.gz FFAOOEQDJMUOBN-OYKKKHCWSA-N -1 0 549.023 6.000 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000408895962 1070840633 /nfs/dbraw/zinc/84/06/33/1070840633.db2.gz GHEVSMLEMFHJAP-WQRHYEAKSA-N -1 0 543.776 5.795 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408895278 1070846870 /nfs/dbraw/zinc/84/68/70/1070846870.db2.gz DNEVOSMZNPXWRX-IWIPYMOSSA-N -1 0 567.013 6.302 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408895607 1070843376 /nfs/dbraw/zinc/84/33/76/1070843376.db2.gz NNHGBTFADBXCPP-WSDLNYQXSA-N -1 0 583.866 6.363 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1C ZINC000408895384 1070844462 /nfs/dbraw/zinc/84/44/62/1070844462.db2.gz HHWNEWGWKRPUBX-HMAPJEAMSA-N -1 0 519.395 5.620 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000408895517 1070845734 /nfs/dbraw/zinc/84/57/34/1070845734.db2.gz KYTDRMRWMMIJNK-VUTHCHCSSA-N -1 0 532.596 6.128 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408894837 1070850500 /nfs/dbraw/zinc/85/05/00/1070850500.db2.gz JFLHWCBGKOVESG-VXLYETTFSA-N -1 0 681.708 6.351 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc(F)c1 ZINC000408894527 1070853614 /nfs/dbraw/zinc/85/36/14/1070853614.db2.gz IMILSLZUEDJBRP-CIAFOILYSA-N -1 0 508.933 5.432 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408894261 1070856783 /nfs/dbraw/zinc/85/67/83/1070856783.db2.gz BVSNRQBYKDSAFE-XKZIYDEJSA-N -1 0 538.959 5.522 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408893553 1070863662 /nfs/dbraw/zinc/86/36/62/1070863662.db2.gz BCCUFAYEKCWYDY-USHMODERSA-N -1 0 565.582 6.172 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000408894176 1070857927 /nfs/dbraw/zinc/85/79/27/1070857927.db2.gz DXUXKNXKSMSQND-ODLFYWEKSA-N -1 0 570.783 5.565 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408894155 1070858541 /nfs/dbraw/zinc/85/85/41/1070858541.db2.gz DUTOTCRWIGNIBI-GRSHGNNSSA-N -1 0 573.802 5.804 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)ccc1Br ZINC000408894192 1070858771 /nfs/dbraw/zinc/85/87/71/1070858771.db2.gz BNQRZIYDOLOPJQ-GRSHGNNSSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408893927 1070858850 /nfs/dbraw/zinc/85/88/50/1070858850.db2.gz HARJUOCFKNGWLE-GZTJUZNOSA-N -1 0 529.351 5.777 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1 ZINC000408893718 1070861904 /nfs/dbraw/zinc/86/19/04/1070861904.db2.gz COUQCOPGMBKQAG-STZFKDTASA-N -1 0 535.394 5.402 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000408893403 1070865552 /nfs/dbraw/zinc/86/55/52/1070865552.db2.gz ACVSNDJPEWNMGN-HMAPJEAMSA-N -1 0 508.933 5.513 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408893474 1070866169 /nfs/dbraw/zinc/86/61/69/1070866169.db2.gz BXIQMOVKSQJFGU-NHDPSOOVSA-N -1 0 628.317 6.391 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Cl)cc1C ZINC000408892934 1070868065 /nfs/dbraw/zinc/86/80/65/1070868065.db2.gz ASLZMOZJRCPYLT-MTJSOVHGSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408892600 1070872038 /nfs/dbraw/zinc/87/20/38/1070872038.db2.gz CWWBHSDIHULJTP-KGENOOAVSA-N -1 0 504.970 5.601 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408892993 1070869793 /nfs/dbraw/zinc/86/97/93/1070869793.db2.gz BFKBEUZVMVRWPO-JAIQZWGSSA-N -1 0 659.287 6.072 40 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40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408890621 1070882000 /nfs/dbraw/zinc/88/20/00/1070882000.db2.gz WPACHWXCMKDJLQ-PCLIKHOPSA-N -1 0 662.334 7.036 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1 ZINC000408889256 1070889402 /nfs/dbraw/zinc/88/94/02/1070889402.db2.gz BUZXKFMSHJROFX-OEAKJJBVSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408890353 1070883362 /nfs/dbraw/zinc/88/33/62/1070883362.db2.gz RTCQROHACYYJPM-OVVQPSECSA-N -1 0 583.040 6.563 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408889990 1070884642 /nfs/dbraw/zinc/88/46/42/1070884642.db2.gz MFKICIFWGDQMDW-RQZCQDPDSA-N -1 0 655.247 6.381 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408890092 1070885733 /nfs/dbraw/zinc/88/57/33/1070885733.db2.gz NPHKSCCBNADZSP-XDHOZWIPSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)cc1C ZINC000408889210 1070890361 /nfs/dbraw/zinc/89/03/61/1070890361.db2.gz FNPUBOXBMPQYRD-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408889175 1070890584 /nfs/dbraw/zinc/89/05/84/1070890584.db2.gz FIBDCXVUKDPTPF-UNOMPAQXSA-N -1 0 555.425 5.397 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409372093 1070895021 /nfs/dbraw/zinc/89/50/21/1070895021.db2.gz CPEKAETUZPIPBF-YDZHTSKRSA-N -1 0 517.607 5.393 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1OC ZINC000409372304 1070895153 /nfs/dbraw/zinc/89/51/53/1070895153.db2.gz YNACELBHYQUOCN-STZFKDTASA-N -1 0 682.524 5.338 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409382300 1070899436 /nfs/dbraw/zinc/89/94/36/1070899436.db2.gz RJPLAONCHONXGP-PCLIKHOPSA-N -1 0 618.496 6.417 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409374500 1070897358 /nfs/dbraw/zinc/89/73/58/1070897358.db2.gz RIDZEJRVORODKN-VXLYETTFSA-N -1 0 559.800 5.335 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409382265 1070899845 /nfs/dbraw/zinc/89/98/45/1070899845.db2.gz ZNQPEMSVJKNKTM-LPYMAVHISA-N -1 0 610.486 5.729 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409383009 1070900558 /nfs/dbraw/zinc/90/05/58/1070900558.db2.gz SPHPPASLEBSBBM-HYARGMPZSA-N -1 0 612.489 5.663 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408904251 1070901442 /nfs/dbraw/zinc/90/14/42/1070901442.db2.gz HCGPEGFPZUBCHO-LPYMAVHISA-N -1 0 582.394 5.773 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408903613 1070902738 /nfs/dbraw/zinc/90/27/38/1070902738.db2.gz UNSIXTWCIZXGKU-YBFXNURJSA-N -1 0 561.205 5.425 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408903246 1070906151 /nfs/dbraw/zinc/90/61/51/1070906151.db2.gz WJEBGGVEAWWFGY-HYARGMPZSA-N -1 0 526.035 6.422 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000409380493 1070906493 /nfs/dbraw/zinc/90/64/93/1070906493.db2.gz FPZLJUCOFSVWHQ-HYARGMPZSA-N -1 0 539.426 5.561 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408902964 1070908503 /nfs/dbraw/zinc/90/85/03/1070908503.db2.gz STJNEJJTBCHYPX-WSDLNYQXSA-N -1 0 556.459 6.141 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408901621 1070919571 /nfs/dbraw/zinc/91/95/71/1070919571.db2.gz ZFUHCKYRURDBGC-NHDPSOOVSA-N -1 0 583.866 6.282 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409401425 1070916239 /nfs/dbraw/zinc/91/62/39/1070916239.db2.gz YLCYTFPZJZXIFP-WQRHYEAKSA-N -1 0 603.223 5.169 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000408901910 1070916481 /nfs/dbraw/zinc/91/64/81/1070916481.db2.gz ISUKJNPUQWTERV-UDWIEESQSA-N -1 0 516.427 6.676 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000409401331 1070916524 /nfs/dbraw/zinc/91/65/24/1070916524.db2.gz WXTDCCIOBDMGRE-PXNMLYILSA-N -1 0 518.740 5.595 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408901601 1070919796 /nfs/dbraw/zinc/91/97/96/1070919796.db2.gz ZBUNLYOMFNVEMK-PKAZHMFMSA-N -1 0 528.605 5.736 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408901743 1070917282 /nfs/dbraw/zinc/91/72/82/1070917282.db2.gz ZQVYBJVBWIUIBA-UCQKPKSFSA-N -1 0 644.437 5.863 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408901537 1070918347 /nfs/dbraw/zinc/91/83/47/1070918347.db2.gz YQFUNWZQVYRVGR-HAHDFKILSA-N -1 0 569.839 6.137 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408901419 1070920410 /nfs/dbraw/zinc/92/04/10/1070920410.db2.gz XXIVXINDXLVYFQ-PKAZHMFMSA-N -1 0 690.534 7.186 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408901416 1070920668 /nfs/dbraw/zinc/92/06/68/1070920668.db2.gz XXDNEUZTDJNWAL-JDCMOKTRSA-N -1 0 570.645 7.417 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408901315 1070922681 /nfs/dbraw/zinc/92/26/81/1070922681.db2.gz XEAQBEORZJEXAR-HAHDFKILSA-N -1 0 553.384 5.622 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc2ccccc21 ZINC000409403578 1070922793 /nfs/dbraw/zinc/92/27/93/1070922793.db2.gz ACENCVOHTHDAMX-BUVRLJJBSA-N -1 0 529.390 5.651 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408901300 1070922863 /nfs/dbraw/zinc/92/28/63/1070922863.db2.gz WZDUHLDJCYZCAX-UCQKPKSFSA-N -1 0 563.448 6.018 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408901104 1070924403 /nfs/dbraw/zinc/92/44/03/1070924403.db2.gz VQBISPDKKQXUTB-NDENLUEZSA-N -1 0 633.904 5.552 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 ZINC000408901122 1070924441 /nfs/dbraw/zinc/92/44/41/1070924441.db2.gz VXTWXLOIBRZMPQ-ULJHMMPZSA-N -1 0 549.421 5.873 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408901113 1070924505 /nfs/dbraw/zinc/92/45/05/1070924505.db2.gz VUXASRIQYVJUIO-JCMHNJIXSA-N -1 0 508.933 5.513 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3Br)C2=O)cc1 ZINC000408901168 1070925315 /nfs/dbraw/zinc/92/53/15/1070925315.db2.gz WNPOQMGSLWMUMG-JLPGSUDCSA-N -1 0 579.447 5.882 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408900795 1070927039 /nfs/dbraw/zinc/92/70/39/1070927039.db2.gz VCGFUXQCHJJCFD-IMRQLAEWSA-N -1 0 555.030 6.918 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000408900797 1070927481 /nfs/dbraw/zinc/92/74/81/1070927481.db2.gz VDGIXNWEGAERGV-NDENLUEZSA-N -1 0 570.783 5.565 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408900736 1070929930 /nfs/dbraw/zinc/92/99/30/1070929930.db2.gz UIJMANHEIGHAFE-NHDPSOOVSA-N -1 0 675.317 6.233 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408900395 1070933834 /nfs/dbraw/zinc/93/38/34/1070933834.db2.gz SJOHNTVNNBTGLV-COEJQBHMSA-N -1 0 548.639 6.881 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)c1 ZINC000408900765 1070930245 /nfs/dbraw/zinc/93/02/45/1070930245.db2.gz URGVLLFQENRDDQ-WGOQTCKBSA-N -1 0 521.529 5.610 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408900425 1070933967 /nfs/dbraw/zinc/93/39/67/1070933967.db2.gz SLEBGSWZEGDEPE-UUYOSTAYSA-N -1 0 597.893 6.672 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408900768 1070931038 /nfs/dbraw/zinc/93/10/38/1070931038.db2.gz URXSEBUEYLQDCU-JLPGSUDCSA-N -1 0 605.466 5.653 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408900623 1070932224 /nfs/dbraw/zinc/93/22/24/1070932224.db2.gz ZDQXZLUCMWNCGF-GRSHGNNSSA-N -1 0 726.159 6.379 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000408900000 1070940351 /nfs/dbraw/zinc/94/03/51/1070940351.db2.gz QXTVBDSNYNGWKF-HAHDFKILSA-N -1 0 575.846 6.810 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408900185 1070938713 /nfs/dbraw/zinc/93/87/13/1070938713.db2.gz RVVBLUXVGHARDT-HMAPJEAMSA-N -1 0 705.343 6.487 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408900464 1070934685 /nfs/dbraw/zinc/93/46/85/1070934685.db2.gz STPKSEBDVVFLIY-KQWNVCNZSA-N -1 0 549.421 5.873 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408900484 1070934781 /nfs/dbraw/zinc/93/47/81/1070934781.db2.gz SYLOASVWTHTVSE-UCQKPKSFSA-N -1 0 618.311 7.180 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408900212 1070935395 /nfs/dbraw/zinc/93/53/95/1070935395.db2.gz XMKPXXQIOSMKFF-JAIQZWGSSA-N -1 0 695.735 6.660 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408900002 1070940046 /nfs/dbraw/zinc/94/00/46/1070940046.db2.gz WSSFJPYHJYOIMR-UUYOSTAYSA-N -1 0 642.344 6.781 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408900027 1070940171 /nfs/dbraw/zinc/94/01/71/1070940171.db2.gz RAYNOHLSPYPIBE-HAHDFKILSA-N -1 0 599.061 5.270 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900058 1070937236 /nfs/dbraw/zinc/93/72/36/1070937236.db2.gz REMDSYUYCLPGMJ-UQQQWYQISA-N -1 0 532.568 5.649 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408900109 1070937313 /nfs/dbraw/zinc/93/73/13/1070937313.db2.gz XAUBDVXIYBASRX-XKZIYDEJSA-N -1 0 549.421 5.628 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408899333 1070944997 /nfs/dbraw/zinc/94/49/97/1070944997.db2.gz TXDYQAVOVXKSTO-JAIQZWGSSA-N -1 0 587.829 6.194 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408899354 1070945745 /nfs/dbraw/zinc/94/57/45/1070945745.db2.gz ORYCWDMSCXHTSU-JLPGSUDCSA-N -1 0 583.866 6.527 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408899807 1070941612 /nfs/dbraw/zinc/94/16/12/1070941612.db2.gz QMBZUACSSQKEGS-UCQKPKSFSA-N -1 0 624.444 5.790 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4)ccc4ccccc43)C2=O)cc1 ZINC000408899279 1070947962 /nfs/dbraw/zinc/94/79/62/1070947962.db2.gz NWFHXRQFNSLIRG-RRAHZORUSA-N -1 0 520.585 6.264 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408898905 1070949907 /nfs/dbraw/zinc/94/99/07/1070949907.db2.gz NDHDICKYBCXEFY-XYGWBWBKSA-N -1 0 599.481 6.863 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408898919 1070950701 /nfs/dbraw/zinc/95/07/01/1070950701.db2.gz NLWYDJZHPJQVFC-RGVLZGJSSA-N -1 0 553.384 5.459 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408898951 1070951225 /nfs/dbraw/zinc/95/12/25/1070951225.db2.gz YOLCMDUONFMJEB-CAOOACKPSA-N -1 0 549.769 6.040 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408898867 1070953538 /nfs/dbraw/zinc/95/35/38/1070953538.db2.gz MYPSYNVSHSZYGZ-UDWIEESQSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408898659 1070954237 /nfs/dbraw/zinc/95/42/37/1070954237.db2.gz QXBRCVITKHCECY-JAIQZWGSSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408898678 1070954825 /nfs/dbraw/zinc/95/48/25/1070954825.db2.gz RDJFZJHXUMAVSJ-XYGWBWBKSA-N -1 0 555.428 6.465 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408898306 1070956902 /nfs/dbraw/zinc/95/69/02/1070956902.db2.gz KTWBGHLBXVPPPE-CIAFOILYSA-N -1 0 612.864 5.494 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408898805 1070952791 /nfs/dbraw/zinc/95/27/91/1070952791.db2.gz NBGGRWPXKSVDBC-CIAFOILYSA-N -1 0 614.411 5.691 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408897763 1070964434 /nfs/dbraw/zinc/96/44/34/1070964434.db2.gz TTZURLVJJCNWMN-RQZCQDPDSA-N -1 0 624.702 7.053 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408897952 1070962928 /nfs/dbraw/zinc/96/29/28/1070962928.db2.gz JVCLPJPBMIWNSP-ULJHMMPZSA-N -1 0 504.970 5.764 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)c1 ZINC000408897975 1070963731 /nfs/dbraw/zinc/96/37/31/1070963731.db2.gz KBBZYDNDDRRXGG-MTJSOVHGSA-N -1 0 598.291 6.382 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408897424 1070965755 /nfs/dbraw/zinc/96/57/55/1070965755.db2.gz JFRVYLQAHGYCKO-MYYYXRDXSA-N -1 0 654.501 6.341 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408897461 1070966345 /nfs/dbraw/zinc/96/63/45/1070966345.db2.gz XCMJTMHWQAQQEB-KGENOOAVSA-N -1 0 596.264 7.155 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408916697 1070996605 /nfs/dbraw/zinc/99/66/05/1070996605.db2.gz GGXOTLAUDWIYLL-JAIQZWGSSA-N -1 0 600.422 5.305 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408916491 1071000466 /nfs/dbraw/zinc/00/04/66/1071000466.db2.gz DHPUXUINLMNFEH-GRSHGNNSSA-N -1 0 559.388 5.146 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408912510 1071022705 /nfs/dbraw/zinc/02/27/05/1071022705.db2.gz HSXWHAHMGKJWJP-QGMBQPNBSA-N -1 0 564.194 6.140 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408912431 1071024605 /nfs/dbraw/zinc/02/46/05/1071024605.db2.gz GEJAWJKHLZQSSJ-DJKKODMXSA-N -1 0 559.775 5.496 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408911695 1071060199 /nfs/dbraw/zinc/06/01/99/1071060199.db2.gz CGDUVOVGCIDUMA-KEBDBYFISA-N -1 0 584.354 5.141 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408918628 1071130626 /nfs/dbraw/zinc/13/06/26/1071130626.db2.gz MXCZGZKVQZPRNX-QRVIBDJDSA-N -1 0 547.007 6.051 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408934206 1071201883 /nfs/dbraw/zinc/20/18/83/1071201883.db2.gz CYIPTPOLLAIEEZ-CCVNUDIWSA-N -1 0 724.435 8.596 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408937025 1071204105 /nfs/dbraw/zinc/20/41/05/1071204105.db2.gz MCWWSXULYFUVNA-UVHMKAGCSA-N -1 0 757.408 8.048 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408937099 1071204683 /nfs/dbraw/zinc/20/46/83/1071204683.db2.gz HVUXQJRBYXZSJP-VXLYETTFSA-N -1 0 591.201 5.910 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408936517 1071211506 /nfs/dbraw/zinc/21/15/06/1071211506.db2.gz KTGYBGZWNDEJKI-QRQIAZFYSA-N -1 0 556.977 6.304 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935975 1071216081 /nfs/dbraw/zinc/21/60/81/1071216081.db2.gz JFABXUBFPBNAHQ-MFOYZWKCSA-N -1 0 629.396 5.763 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)c2)cc1 ZINC000408935988 1071216094 /nfs/dbraw/zinc/21/60/94/1071216094.db2.gz JJWAIPIMLAZCCJ-XDHOZWIPSA-N -1 0 564.925 5.101 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408935760 1071219697 /nfs/dbraw/zinc/21/96/97/1071219697.db2.gz DRVVRLMVKSFQPH-LPYMAVHISA-N -1 0 550.365 5.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408935927 1071218462 /nfs/dbraw/zinc/21/84/62/1071218462.db2.gz IWZOKFVZCAUVOJ-MFKUBSTISA-N -1 0 635.475 7.356 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408935680 1071219085 /nfs/dbraw/zinc/21/90/85/1071219085.db2.gz IMPDHLBKHBFNEC-AJBULDERSA-N -1 0 653.112 6.815 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408935623 1071221583 /nfs/dbraw/zinc/22/15/83/1071221583.db2.gz IDRIRTBNCGPPBU-NVMNQCDNSA-N -1 0 641.799 6.905 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408935486 1071223433 /nfs/dbraw/zinc/22/34/33/1071223433.db2.gz HJAXLTGOGVLSPE-PKAZHMFMSA-N -1 0 583.984 6.073 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935060 1071228436 /nfs/dbraw/zinc/22/84/36/1071228436.db2.gz GGCAEKDVHVBBKU-ZDLGFXPLSA-N -1 0 643.423 6.153 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408934692 1071231087 /nfs/dbraw/zinc/23/10/87/1071231087.db2.gz FSXLQAMFZDQNSU-NDZAJKAJSA-N -1 0 607.037 7.457 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408934531 1071232399 /nfs/dbraw/zinc/23/23/99/1071232399.db2.gz DXZQMRWYGUEOTH-ODLFYWEKSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408934514 1071232445 /nfs/dbraw/zinc/23/24/45/1071232445.db2.gz DWNZVLTUOLNFLV-WQRHYEAKSA-N -1 0 594.951 5.110 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408934652 1071233711 /nfs/dbraw/zinc/23/37/11/1071233711.db2.gz FMWFBNTWJRCCFM-OCKHKDLRSA-N -1 0 593.385 6.883 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408933896 1071238905 /nfs/dbraw/zinc/23/89/05/1071238905.db2.gz BZBOQIBZYMBDRT-WYMPLXKRSA-N -1 0 672.348 8.133 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408934308 1071236276 /nfs/dbraw/zinc/23/62/76/1071236276.db2.gz DQSRCMPUZYRTGO-VEILYXNESA-N -1 0 583.438 6.274 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408934306 1071236350 /nfs/dbraw/zinc/23/63/50/1071236350.db2.gz DQKMQFANOJSFOY-YZSQISJMSA-N -1 0 573.432 6.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408946812 1071264906 /nfs/dbraw/zinc/26/49/06/1071264906.db2.gz BDJLLFRISNWDHC-IPPBACCNSA-N -1 0 655.589 7.479 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408945906 1071273517 /nfs/dbraw/zinc/27/35/17/1071273517.db2.gz XRRGDWPOEHAWJW-RGVLZGJSSA-N -1 0 539.903 5.031 40 10 KKCBRM Cc1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)c2)cc1 ZINC000408942340 1071300991 /nfs/dbraw/zinc/30/09/91/1071300991.db2.gz ZFXOBPIHMQOEDT-VEILYXNESA-N -1 0 553.014 6.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408941620 1071307330 /nfs/dbraw/zinc/30/73/30/1071307330.db2.gz XKHJOHMWSKTORG-DHRITJCHSA-N -1 0 714.371 8.118 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000408940962 1071312182 /nfs/dbraw/zinc/31/21/82/1071312182.db2.gz VXPCEJPRCWUPNC-RGVLZGJSSA-N -1 0 501.753 5.892 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000408938806 1071328090 /nfs/dbraw/zinc/32/80/90/1071328090.db2.gz RPXWAPWGPQPWHN-YUMHPJSZSA-N -1 0 573.432 6.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408952486 1071344411 /nfs/dbraw/zinc/34/44/11/1071344411.db2.gz NYWVBVGWQPTUEE-LUOAPIJWSA-N -1 0 666.001 8.369 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408952407 1071345875 /nfs/dbraw/zinc/34/58/75/1071345875.db2.gz NRWYJGBXWAAQEN-WGARJPEWSA-N -1 0 537.572 5.989 40 10 KKCBRM CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408951930 1071348343 /nfs/dbraw/zinc/34/83/43/1071348343.db2.gz MXOHTQMNHZNDAJ-BHGWPJFGSA-N -1 0 637.527 5.534 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408951626 1071349593 /nfs/dbraw/zinc/34/95/93/1071349593.db2.gz MCBHGODXQMTLKI-CCVNUDIWSA-N -1 0 629.526 7.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408950352 1071356151 /nfs/dbraw/zinc/35/61/51/1071356151.db2.gz JIOXNVVJNVAXRG-FJEPWZHXSA-N -1 0 625.165 7.760 40 10 KKCBRM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408950357 1071356537 /nfs/dbraw/zinc/35/65/37/1071356537.db2.gz JLCAEVZWGOEBDS-WYMPLXKRSA-N -1 0 654.501 5.367 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408949387 1071360964 /nfs/dbraw/zinc/36/09/64/1071360964.db2.gz HXJMNPPTWIZBSK-CCVNUDIWSA-N -1 0 656.533 7.071 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408948756 1071363316 /nfs/dbraw/zinc/36/33/16/1071363316.db2.gz GIFKBZMSMRWSLA-FSJBWODESA-N -1 0 662.436 5.817 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408948765 1071364264 /nfs/dbraw/zinc/36/42/64/1071364264.db2.gz GLYQHAHHVSUTRD-WSDLNYQXSA-N -1 0 571.383 5.576 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000408948395 1071364984 /nfs/dbraw/zinc/36/49/84/1071364984.db2.gz FZBBVUKQLDROAA-JFLMPSFJSA-N -1 0 520.633 5.623 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408947711 1071369566 /nfs/dbraw/zinc/36/95/66/1071369566.db2.gz CZDAHQVMHPDHJS-KKMKTNMSSA-N -1 0 635.975 8.360 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408956369 1071378745 /nfs/dbraw/zinc/37/87/45/1071378745.db2.gz WGHJVDCXTVMQFT-UVHMKAGCSA-N -1 0 659.552 7.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408955982 1071379986 /nfs/dbraw/zinc/37/99/86/1071379986.db2.gz VLISCGYKYHLRBF-IPPBACCNSA-N -1 0 655.589 7.479 40 10 KKCBRM CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408955388 1071383428 /nfs/dbraw/zinc/38/34/28/1071383428.db2.gz UIJVKMLRQIQTJN-DHRITJCHSA-N -1 0 607.501 5.525 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408695606 1071383737 /nfs/dbraw/zinc/38/37/37/1071383737.db2.gz WSUDVEFWXLQMII-YBFXNURJSA-N -1 0 639.284 5.436 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408694908 1071386297 /nfs/dbraw/zinc/38/62/97/1071386297.db2.gz NUFQMOIAPRYMNO-OEAKJJBVSA-N -1 0 563.448 5.984 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408955136 1071386323 /nfs/dbraw/zinc/38/63/23/1071386323.db2.gz SQTLYZKCUCXINL-WCMJOSRZSA-N -1 0 573.668 6.963 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408694511 1071386835 /nfs/dbraw/zinc/38/68/35/1071386835.db2.gz IWWVZCCDJNVUPW-JJIBRWJFSA-N -1 0 556.688 5.691 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(OC)c1C ZINC000408955198 1071387091 /nfs/dbraw/zinc/38/70/91/1071387091.db2.gz TYOPKZMMVSGERP-ZMOGYAJESA-N -1 0 500.595 5.146 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000408953888 1071394370 /nfs/dbraw/zinc/39/43/70/1071394370.db2.gz QIPSQUOCGZRGSK-CCVNUDIWSA-N -1 0 672.551 6.740 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408953970 1071393108 /nfs/dbraw/zinc/39/31/08/1071393108.db2.gz QSDVPYSCRXMLBW-OMCISZLKSA-N -1 0 620.239 5.739 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692343 1071394541 /nfs/dbraw/zinc/39/45/41/1071394541.db2.gz KHYZDXWTJZMKKZ-LZYBPNLTSA-N -1 0 615.251 5.590 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408954719 1071389116 /nfs/dbraw/zinc/38/91/16/1071389116.db2.gz SIPFKGPUFOJCTH-ATZGPIRCSA-N -1 0 752.649 8.556 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408954633 1071390744 /nfs/dbraw/zinc/39/07/44/1071390744.db2.gz RZHLRRMNFDMCLS-KKMKTNMSSA-N -1 0 646.527 7.615 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408953917 1071394666 /nfs/dbraw/zinc/39/46/66/1071394666.db2.gz QNAHAWQAKKISBB-REZTVBANSA-N -1 0 618.209 5.325 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408692436 1071395548 /nfs/dbraw/zinc/39/55/48/1071395548.db2.gz MIPFGRCZQIPZDD-CXUHLZMHSA-N -1 0 585.225 5.581 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408953347 1071395544 /nfs/dbraw/zinc/39/55/44/1071395544.db2.gz PZNBJUXDFQFKLB-KKMKTNMSSA-N -1 0 735.429 7.833 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000408691964 1071396921 /nfs/dbraw/zinc/39/69/21/1071396921.db2.gz ABPHYHMYVDLHFS-DIBXZPPDSA-N -1 0 546.583 6.124 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c2C)c1 ZINC000408966159 1071411712 /nfs/dbraw/zinc/41/17/12/1071411712.db2.gz KECOBSMEPFDOJG-HYARGMPZSA-N -1 0 566.477 5.173 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408965466 1071414084 /nfs/dbraw/zinc/41/40/84/1071414084.db2.gz HSLRTAFXHHXATD-GIJQJNRQSA-N -1 0 579.822 5.323 40 10 KKCBRM Cc1ccc2[nH]c(Sc3ccc(C=C4C(=O)[N-]C(=O)N(c5ccc(Br)cc5)C4=O)o3)nc2c1 ZINC000408964054 1071420075 /nfs/dbraw/zinc/42/00/75/1071420075.db2.gz FLVSFYVPTRXVFT-LFIBNONCSA-N -1 0 523.368 5.044 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000408963807 1071421448 /nfs/dbraw/zinc/42/14/48/1071421448.db2.gz AFBFSYORWIFLPJ-MHWRWJLKSA-N -1 0 532.822 5.480 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(OCCSc4ccc(Cl)cc4)cc3)SC2=S)c1 ZINC000408970869 1071453960 /nfs/dbraw/zinc/45/39/60/1071453960.db2.gz LMCXLPMLOUIMJU-HMAPJEAMSA-N -1 0 528.076 6.615 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000408969283 1071458857 /nfs/dbraw/zinc/45/88/57/1071458857.db2.gz KRSIQDXFESCGRM-MYYYXRDXSA-N -1 0 535.643 5.874 40 10 KKCBRM COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000408969346 1071459468 /nfs/dbraw/zinc/45/94/68/1071459468.db2.gz MHCAJZXHCYTLRW-XYGWBWBKSA-N -1 0 530.627 5.833 40 10 KKCBRM Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000408969077 1071460839 /nfs/dbraw/zinc/46/08/39/1071460839.db2.gz GYCFJYKEGIDOMW-ONUIUJJFSA-N -1 0 533.671 6.680 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccccc3OCCSc3ccc(Cl)cc3)SC2=S)c1 ZINC000408974532 1071479536 /nfs/dbraw/zinc/47/95/36/1071479536.db2.gz ZNWPSVXPYZMBRI-JCMHNJIXSA-N -1 0 528.076 6.615 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)o2)cc1 ZINC000408986256 1071491576 /nfs/dbraw/zinc/49/15/76/1071491576.db2.gz PDLMFYSLESKNDV-KOEQRZSOSA-N -1 0 505.526 5.898 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000408985664 1071497689 /nfs/dbraw/zinc/49/76/89/1071497689.db2.gz XJYGSPIWQJHINR-ZROIWOOFSA-N -1 0 565.163 5.899 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408985746 1071498591 /nfs/dbraw/zinc/49/85/91/1071498591.db2.gz YHKOKZPUWOJLCX-JAIQZWGSSA-N -1 0 616.839 5.897 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)cc1Cl ZINC000408985365 1071500434 /nfs/dbraw/zinc/50/04/34/1071500434.db2.gz KNAUUJQAUOXNOX-FMQZQXMHSA-N -1 0 648.691 6.148 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408985094 1071503078 /nfs/dbraw/zinc/50/30/78/1071503078.db2.gz VDHHVEFWYQZTKF-JAIQZWGSSA-N -1 0 618.311 6.962 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408985450 1071501135 /nfs/dbraw/zinc/50/11/35/1071501135.db2.gz WWFGVLYQWDVXLT-XKZIYDEJSA-N -1 0 583.866 6.309 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000408985433 1071501219 /nfs/dbraw/zinc/50/12/19/1071501219.db2.gz WVINTHXAIAUDSK-OCKHKDLRSA-N -1 0 529.807 6.509 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408985115 1071503286 /nfs/dbraw/zinc/50/32/86/1071503286.db2.gz VKFJJNBKMFWOKF-XKZIYDEJSA-N -1 0 630.866 6.151 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408985133 1071503348 /nfs/dbraw/zinc/50/33/48/1071503348.db2.gz VQRBTLOJMLKAQE-OCKHKDLRSA-N -1 0 573.802 5.804 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408984953 1071504649 /nfs/dbraw/zinc/50/46/49/1071504649.db2.gz UQTOYVGBAPVJMX-MYYYXRDXSA-N -1 0 541.003 6.446 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408984913 1071504687 /nfs/dbraw/zinc/50/46/87/1071504687.db2.gz UGXIHACNQPNGEH-JAIQZWGSSA-N -1 0 665.311 6.805 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(I)c3)C2=O)cc1 ZINC000408984405 1071510132 /nfs/dbraw/zinc/51/01/32/1071510132.db2.gz QNQQTNFOZGPABG-ODLFYWEKSA-N -1 0 696.254 5.843 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1Cl ZINC000408984238 1071511516 /nfs/dbraw/zinc/51/15/16/1071511516.db2.gz QCKAISMJDXGHCU-JJFYIABZSA-N -1 0 610.291 7.463 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408984011 1071512048 /nfs/dbraw/zinc/51/20/48/1071512048.db2.gz PGOPEPXIGDPXBN-MTJSOVHGSA-N -1 0 509.389 6.110 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408983678 1071516394 /nfs/dbraw/zinc/51/63/94/1071516394.db2.gz GZLJHRNPJJZSLO-NDENLUEZSA-N -1 0 584.264 6.019 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408983183 1071519788 /nfs/dbraw/zinc/51/97/88/1071519788.db2.gz FXJFANLCPDMCGN-JMIUGGIZSA-N -1 0 604.284 6.572 40 10 KKCBRM CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408983199 1071519858 /nfs/dbraw/zinc/51/98/58/1071519858.db2.gz GBXFAFFLWFHBCS-MLPAPPSSSA-N -1 0 542.611 5.239 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408982491 1071526038 /nfs/dbraw/zinc/52/60/38/1071526038.db2.gz HJFKRJKMERCWLE-FMQZQXMHSA-N -1 0 584.670 7.507 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2I)c1 ZINC000408982614 1071525057 /nfs/dbraw/zinc/52/50/57/1071525057.db2.gz IKBCYSVDYKEFFT-OCKHKDLRSA-N -1 0 665.709 6.569 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)cc1 ZINC000408982634 1071525342 /nfs/dbraw/zinc/52/53/42/1071525342.db2.gz IOQQYGMIKIVYMU-NVMNQCDNSA-N -1 0 700.154 7.168 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C2=O)cc1 ZINC000408983070 1071520999 /nfs/dbraw/zinc/52/09/99/1071520999.db2.gz KBWRGVLJULRAQH-NTFVMDSBSA-N -1 0 588.491 7.209 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408983054 1071521115 /nfs/dbraw/zinc/52/11/15/1071521115.db2.gz JWZVQBKPJPLSIZ-OCKHKDLRSA-N -1 0 529.351 5.695 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408983106 1071521946 /nfs/dbraw/zinc/52/19/46/1071521946.db2.gz KOFWAHAXPRSRKB-GRSHGNNSSA-N -1 0 559.833 6.599 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408982888 1071522421 /nfs/dbraw/zinc/52/24/21/1071522421.db2.gz ITGYMRNRQZOHGA-OCKHKDLRSA-N -1 0 647.809 5.415 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408982913 1071522715 /nfs/dbraw/zinc/52/27/15/1071522715.db2.gz IVOUUTBXQWPUQX-MTJSOVHGSA-N -1 0 525.388 5.946 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408982403 1071525888 /nfs/dbraw/zinc/52/58/88/1071525888.db2.gz GWHJBYYQSYVEAM-NDENLUEZSA-N -1 0 508.933 5.296 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408723566 1071527684 /nfs/dbraw/zinc/52/76/84/1071527684.db2.gz WPDDQKOXPODTOB-RGVLZGJSSA-N -1 0 653.325 6.407 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408982112 1071527808 /nfs/dbraw/zinc/52/78/08/1071527808.db2.gz FWRLNOCYZDCSAE-GRSHGNNSSA-N -1 0 543.378 6.085 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408723439 1071528152 /nfs/dbraw/zinc/52/81/52/1071528152.db2.gz UUZDNKWKHKYJFP-OMCISZLKSA-N -1 0 708.188 7.324 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2I)c1 ZINC000408982082 1071530018 /nfs/dbraw/zinc/53/00/18/1071530018.db2.gz FNPCEGSYPXPSAL-OCKHKDLRSA-N -1 0 712.709 6.411 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408723227 1071530318 /nfs/dbraw/zinc/53/03/18/1071530318.db2.gz RLMXDZASOZMCMO-FSJBWODESA-N -1 0 607.913 6.675 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408981841 1071530802 /nfs/dbraw/zinc/53/08/02/1071530802.db2.gz CGQJGKRZPBWQPY-JAIQZWGSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722710 1071532191 /nfs/dbraw/zinc/53/21/91/1071532191.db2.gz MPTHTRJSFFGBPX-RQZCQDPDSA-N -1 0 647.847 5.941 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722557 1071532733 /nfs/dbraw/zinc/53/27/33/1071532733.db2.gz KNISQHKWSOWLDY-UFWORHAWSA-N -1 0 687.770 7.060 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408981622 1071532941 /nfs/dbraw/zinc/53/29/41/1071532941.db2.gz CBNRQBKCMYDNET-UCQKPKSFSA-N -1 0 563.448 5.964 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1Cl ZINC000408981599 1071533064 /nfs/dbraw/zinc/53/30/64/1071533064.db2.gz BWOAJLPPIJEMCX-GRSHGNNSSA-N -1 0 607.231 6.152 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=O)N(c6ccc(C)c(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408994559 1071557270 /nfs/dbraw/zinc/55/72/70/1071557270.db2.gz ZQNWLVXIXJBPRJ-MFKUBSTISA-N -1 0 663.737 7.200 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=S)N(c6ccc(C)c(Cl)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408994312 1071559396 /nfs/dbraw/zinc/55/93/96/1071559396.db2.gz ZFVTXKCOHONLOW-YDZHTSKRSA-N -1 0 700.223 7.710 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000408994579 1071557947 /nfs/dbraw/zinc/55/79/47/1071557947.db2.gz ZSUCOYYUZSEBTA-PXLXIMEGSA-N -1 0 636.736 6.289 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408993334 1071567071 /nfs/dbraw/zinc/56/70/71/1071567071.db2.gz WFHXPYRMZMKJAZ-GRSHGNNSSA-N -1 0 569.795 5.385 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)[N-]C2=S)cc1C ZINC000408992664 1071570647 /nfs/dbraw/zinc/57/06/47/1071570647.db2.gz STKXJWZGPSWSKS-HZHRSRAPSA-N -1 0 636.736 6.289 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991456 1071579538 /nfs/dbraw/zinc/57/95/38/1071579538.db2.gz OGLKSJJJWALMLX-ZRXGRHLGSA-N -1 0 697.820 6.483 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408991186 1071582584 /nfs/dbraw/zinc/58/25/84/1071582584.db2.gz NFRMMDPCFKHVRQ-LDADJPATSA-N -1 0 530.587 5.639 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1Cl ZINC000408991274 1071583104 /nfs/dbraw/zinc/58/31/04/1071583104.db2.gz ZPMZFXFHZLZRLF-ZDLGFXPLSA-N -1 0 543.776 5.795 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408990865 1071584657 /nfs/dbraw/zinc/58/46/57/1071584657.db2.gz OPMKTTFWLDHPFB-STZFKDTASA-N -1 0 523.358 5.396 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000408990573 1071587337 /nfs/dbraw/zinc/58/73/37/1071587337.db2.gz XLGIVWOTROKFBP-ZDLGFXPLSA-N -1 0 560.231 6.310 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408990619 1071587716 /nfs/dbraw/zinc/58/77/16/1071587716.db2.gz XRPWZLQTOBWPNN-JAIQZWGSSA-N -1 0 629.261 5.928 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(I)cc3)C2=O)cc1 ZINC000408990142 1071590609 /nfs/dbraw/zinc/59/06/09/1071590609.db2.gz MVANZIBBIGRDAL-JCMHNJIXSA-N -1 0 552.368 5.099 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408989270 1071597397 /nfs/dbraw/zinc/59/73/97/1071597397.db2.gz TXDQQPVGXAPENE-GRSHGNNSSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 ZINC000408739880 1071602159 /nfs/dbraw/zinc/60/21/59/1071602159.db2.gz BIBDCWJLYFOPRV-FYJGNVAPSA-N -1 0 521.367 5.093 40 10 KKCBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1Br ZINC000408739888 1071602208 /nfs/dbraw/zinc/60/22/08/1071602208.db2.gz BLJUCVRLLPPRCM-WUXMJOGZSA-N -1 0 589.103 5.122 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408739238 1071605096 /nfs/dbraw/zinc/60/50/96/1071605096.db2.gz AEPHQIYOUSYFDJ-RRAHZORUSA-N -1 0 588.461 7.240 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408987954 1071608240 /nfs/dbraw/zinc/60/82/40/1071608240.db2.gz CDGATQGUAAOXRB-OEAKJJBVSA-N -1 0 677.745 6.296 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C(=O)[N-]C2=S)c1 ZINC000408744028 1071616650 /nfs/dbraw/zinc/61/66/50/1071616650.db2.gz YEKIZFSVVLITRO-CIAFOILYSA-N -1 0 616.331 6.021 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408743710 1071617274 /nfs/dbraw/zinc/61/72/74/1071617274.db2.gz UNBATIJSVWHMFK-OFWBYEQRSA-N -1 0 571.608 7.016 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408743672 1071617934 /nfs/dbraw/zinc/61/79/34/1071617934.db2.gz WYEUZBSDVBEDEI-RGVLZGJSSA-N -1 0 527.429 5.721 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 ZINC000408743336 1071618374 /nfs/dbraw/zinc/61/83/74/1071618374.db2.gz VRLIAXIAADHTSK-FYJGNVAPSA-N -1 0 537.435 5.258 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408743285 1071618457 /nfs/dbraw/zinc/61/84/57/1071618457.db2.gz RXBLEVVCKZMEQP-GZTJUZNOSA-N -1 0 534.762 5.036 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C(C)C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408742327 1071621708 /nfs/dbraw/zinc/62/17/08/1071621708.db2.gz OITHYCRACYVDEC-SNCSUOKWSA-N -1 0 595.699 8.000 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000408742552 1071620593 /nfs/dbraw/zinc/62/05/93/1071620593.db2.gz ROVQGDHNINOKFK-BKUYFWCQSA-N -1 0 508.441 5.305 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(OCC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408742490 1071621216 /nfs/dbraw/zinc/62/12/16/1071621216.db2.gz PGRCBQXJYDRJKA-SJIPCVTESA-N -1 0 597.671 7.275 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408995818 1071622086 /nfs/dbraw/zinc/62/20/86/1071622086.db2.gz NOTYBVOMKGLXTI-CIAFOILYSA-N -1 0 619.278 5.464 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c1C)CCCC2 ZINC000408742159 1071622165 /nfs/dbraw/zinc/62/21/65/1071622165.db2.gz NLLCTTQFVZSFHE-STZFKDTASA-N -1 0 596.503 5.640 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408742160 1071622279 /nfs/dbraw/zinc/62/22/79/1071622279.db2.gz PTBKQDISSXKDER-NDENLUEZSA-N -1 0 620.310 5.601 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408741021 1071627728 /nfs/dbraw/zinc/62/77/28/1071627728.db2.gz JGSFVMQGISIPNY-JAIQZWGSSA-N -1 0 606.283 5.293 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000408741978 1071622837 /nfs/dbraw/zinc/62/28/37/1071622837.db2.gz OSJSJYXFLDFXLI-YBFXNURJSA-N -1 0 663.331 5.781 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408740984 1071627793 /nfs/dbraw/zinc/62/77/93/1071627793.db2.gz GCORUQGRCXFURP-OGLMXYFKSA-N -1 0 566.639 6.437 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408741687 1071623785 /nfs/dbraw/zinc/62/37/85/1071623785.db2.gz NEKYJORQZROAIX-YBFXNURJSA-N -1 0 618.880 5.672 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741217 1071626190 /nfs/dbraw/zinc/62/61/90/1071626190.db2.gz KRQVFYUINMTTNT-WSDLNYQXSA-N -1 0 508.441 5.305 40 10 KKCBRM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408740822 1071628531 /nfs/dbraw/zinc/62/85/31/1071628531.db2.gz IGUJUQVYSOYATH-WQRHYEAKSA-N -1 0 526.368 5.065 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408740596 1071629620 /nfs/dbraw/zinc/62/96/20/1071629620.db2.gz HGMTVQUNZQPMCE-OYKKKHCWSA-N -1 0 587.495 6.330 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1 ZINC000408740512 1071629698 /nfs/dbraw/zinc/62/96/98/1071629698.db2.gz LFTXDNATGJVTEL-SWKFRHMKSA-N -1 0 553.618 6.876 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)[N-]C2=S)c1 ZINC000408740219 1071630764 /nfs/dbraw/zinc/63/07/64/1071630764.db2.gz DXUHSOBHARXQKF-OEAKJJBVSA-N -1 0 537.435 5.258 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)[N-]C2=S)c1 ZINC000408740270 1071631429 /nfs/dbraw/zinc/63/14/29/1071631429.db2.gz JSAHEIVBVJUGNM-WSDLNYQXSA-N -1 0 527.429 5.802 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408756883 1071635292 /nfs/dbraw/zinc/63/52/92/1071635292.db2.gz XZXMDQFWIZMMCC-GIJQJNRQSA-N -1 0 578.221 6.449 40 10 KKCBRM Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O ZINC000408756806 1071636563 /nfs/dbraw/zinc/63/65/63/1071636563.db2.gz JTJOIIKVLWVONV-UDWIEESQSA-N -1 0 509.364 5.187 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408756476 1071638114 /nfs/dbraw/zinc/63/81/14/1071638114.db2.gz SEZMHSPCJUVOGC-GIJQJNRQSA-N -1 0 639.127 7.072 40 10 KKCBRM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(/N=N/c6ccccc6)cc5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755830 1071641044 /nfs/dbraw/zinc/64/10/44/1071641044.db2.gz GBOKZPYUMRYPDZ-FBBBDQANSA-N -1 0 570.674 6.448 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408755791 1071643151 /nfs/dbraw/zinc/64/31/51/1071643151.db2.gz WGOJSGQBUHYXBM-LZYBPNLTSA-N -1 0 676.230 5.804 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408755798 1071643195 /nfs/dbraw/zinc/64/31/95/1071643195.db2.gz NBCIFJQGDBZMHB-NDENLUEZSA-N -1 0 604.242 5.436 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408755648 1071644433 /nfs/dbraw/zinc/64/44/33/1071644433.db2.gz RPTBYZQKZAUOEK-VCHYOVAHSA-N -1 0 557.788 5.393 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000409001454 1071644851 /nfs/dbraw/zinc/64/48/51/1071644851.db2.gz VYANUXQILCERTH-YBFXNURJSA-N -1 0 593.204 5.843 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)C1=O ZINC000409000553 1071649326 /nfs/dbraw/zinc/64/93/26/1071649326.db2.gz TYEHKLAWCZWNFF-GZTJUZNOSA-N -1 0 683.180 7.335 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408998464 1071658514 /nfs/dbraw/zinc/65/85/14/1071658514.db2.gz UNONPXVOISFIFB-MHWRWJLKSA-N -1 0 685.221 7.246 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)[N-]C1=S ZINC000408753467 1071659180 /nfs/dbraw/zinc/65/91/80/1071659180.db2.gz MXKNRJSUEYBJBD-HMAPJEAMSA-N -1 0 573.472 5.182 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408752622 1071663277 /nfs/dbraw/zinc/66/32/77/1071663277.db2.gz IUVRCFRKGQKODH-ZVHZXABRSA-N -1 0 711.350 7.159 40 10 KKCBRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c2C)cc1 ZINC000408752676 1071663784 /nfs/dbraw/zinc/66/37/84/1071663784.db2.gz JERVZCRHZYTBSL-LPYMAVHISA-N -1 0 508.441 5.250 40 10 KKCBRM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409012795 1071682466 /nfs/dbraw/zinc/68/24/66/1071682466.db2.gz KUHWHJVEVOGLJS-WOJGMQOQSA-N -1 0 500.805 5.033 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408760279 1071698002 /nfs/dbraw/zinc/69/80/02/1071698002.db2.gz VXPQNLLLMWAOLE-HYARGMPZSA-N -1 0 522.399 5.230 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000408761004 1071694709 /nfs/dbraw/zinc/69/47/09/1071694709.db2.gz BOYLASQGNLLWNV-QGMBQPNBSA-N -1 0 691.272 5.345 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408760864 1071695226 /nfs/dbraw/zinc/69/52/26/1071695226.db2.gz GNNPHSLMQKTGIG-UDWIEESQSA-N -1 0 571.269 5.902 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Br ZINC000408760755 1071695689 /nfs/dbraw/zinc/69/56/89/1071695689.db2.gz FMRRCOXUCXBWHA-MHWRWJLKSA-N -1 0 530.718 5.246 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408760567 1071696378 /nfs/dbraw/zinc/69/63/78/1071696378.db2.gz AXIABLYQWOEIHP-VCHYOVAHSA-N -1 0 618.253 5.913 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(I)cc3)C2=O)ccc1Br ZINC000408759866 1071699849 /nfs/dbraw/zinc/69/98/49/1071699849.db2.gz NCSIKCLAVHQRIX-DEDYPNTBSA-N -1 0 617.237 5.608 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408759686 1071700523 /nfs/dbraw/zinc/70/05/23/1071700523.db2.gz JQELITJIJMRYHD-DJKKODMXSA-N -1 0 683.180 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409025319 1071709511 /nfs/dbraw/zinc/70/95/11/1071709511.db2.gz POEUKUWDPXYNFH-YBFXNURJSA-N -1 0 572.209 5.163 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)ccc1Br ZINC000408757814 1071710662 /nfs/dbraw/zinc/71/06/62/1071710662.db2.gz CNTVTJSDSMERSP-XDHOZWIPSA-N -1 0 588.227 5.905 40 10 KKCBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2cc(C)c(C)cc2Br)C1=O ZINC000408757302 1071712969 /nfs/dbraw/zinc/71/29/69/1071712969.db2.gz LUPPJOUBPNPRJN-NDENLUEZSA-N -1 0 521.415 5.152 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408766635 1071718225 /nfs/dbraw/zinc/71/82/25/1071718225.db2.gz WDIMPUSAIFCSKP-GIJQJNRQSA-N -1 0 504.826 5.886 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409022339 1071719434 /nfs/dbraw/zinc/71/94/34/1071719434.db2.gz KOCXALWRRCXDPE-CVKSISIWSA-N -1 0 572.643 6.124 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408765322 1071724239 /nfs/dbraw/zinc/72/42/39/1071724239.db2.gz LDHMOHKLOSXVBI-VCHYOVAHSA-N -1 0 590.257 6.318 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)ccc1Br ZINC000408763863 1071730122 /nfs/dbraw/zinc/73/01/22/1071730122.db2.gz PJBZBAYASJPEFL-OEAKJJBVSA-N -1 0 620.297 6.919 40 10 KKCBRM CCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409018606 1071731702 /nfs/dbraw/zinc/73/17/02/1071731702.db2.gz HVAXXQKWHIPYGF-LDADJPATSA-N -1 0 515.374 5.515 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408762338 1071736375 /nfs/dbraw/zinc/73/63/75/1071736375.db2.gz KAELLLPUEPFXGL-HYARGMPZSA-N -1 0 562.851 6.389 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)ccc1Br ZINC000408762135 1071736791 /nfs/dbraw/zinc/73/67/91/1071736791.db2.gz NFJOISAZQSKQHB-UDWIEESQSA-N -1 0 588.227 5.905 40 10 KKCBRM COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)c1 ZINC000408761974 1071737666 /nfs/dbraw/zinc/73/76/66/1071737666.db2.gz IKFVYZZDIAGYEI-GZTJUZNOSA-N -1 0 543.757 5.124 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000408761915 1071738407 /nfs/dbraw/zinc/73/84/07/1071738407.db2.gz IHVIVAQCSPKOMG-UDWIEESQSA-N -1 0 615.234 5.674 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408761659 1071738483 /nfs/dbraw/zinc/73/84/83/1071738483.db2.gz AKSKOCUWLPWNCS-GRSHGNNSSA-N -1 0 681.708 6.270 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)ccc1Br ZINC000408761357 1071739331 /nfs/dbraw/zinc/73/93/31/1071739331.db2.gz IUKQGYYMFYGNLG-REZTVBANSA-N -1 0 693.142 6.257 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408775993 1071751437 /nfs/dbraw/zinc/75/14/37/1071751437.db2.gz LYUYKWMRRVTJKA-CPNJWEJPSA-N -1 0 525.388 5.946 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408776177 1071751459 /nfs/dbraw/zinc/75/14/59/1071751459.db2.gz UVBQFTPXJRAOIE-SRZZPIQSSA-N -1 0 553.384 5.459 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000408776512 1071749931 /nfs/dbraw/zinc/74/99/31/1071749931.db2.gz PIFJAJTVCNNIEY-LICLKQGHSA-N -1 0 561.856 5.734 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C2=O)cc1 ZINC000408775675 1071753156 /nfs/dbraw/zinc/75/31/56/1071753156.db2.gz JWOQIWUETFBYBE-WGOQTCKBSA-N -1 0 611.567 5.768 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000408774675 1071759484 /nfs/dbraw/zinc/75/94/84/1071759484.db2.gz MUVSZRBDEQDFNY-VCHYOVAHSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000408774148 1071763464 /nfs/dbraw/zinc/76/34/64/1071763464.db2.gz AHGFZBUPEITDOL-DJKKODMXSA-N -1 0 646.821 5.317 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408773972 1071764617 /nfs/dbraw/zinc/76/46/17/1071764617.db2.gz KPHRPNGWLLOQBL-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)c2c1 ZINC000408773274 1071768755 /nfs/dbraw/zinc/76/87/55/1071768755.db2.gz JQYYBQAIEKECHT-KGENOOAVSA-N -1 0 525.424 5.231 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408773141 1071769905 /nfs/dbraw/zinc/76/99/05/1071769905.db2.gz PJKJZRPSYOCPEG-WSDLNYQXSA-N -1 0 687.715 7.106 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408772783 1071771765 /nfs/dbraw/zinc/77/17/65/1071771765.db2.gz MZLKFRDFEDTRJO-JVWAILMASA-N -1 0 679.434 7.338 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408772449 1071772891 /nfs/dbraw/zinc/77/28/91/1071772891.db2.gz LQKDKTVYNSRMMH-SRZZPIQSSA-N -1 0 661.290 5.925 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408772137 1071776710 /nfs/dbraw/zinc/77/67/10/1071776710.db2.gz BLKRTRBJLIYTOJ-UDWIEESQSA-N -1 0 618.269 5.744 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2I)cc1 ZINC000408771418 1071781698 /nfs/dbraw/zinc/78/16/98/1071781698.db2.gz GHSVUGUTSAOZBE-LPYMAVHISA-N -1 0 566.395 5.462 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408771055 1071782724 /nfs/dbraw/zinc/78/27/24/1071782724.db2.gz FCQJBXPYVBTAEK-REZTVBANSA-N -1 0 731.754 6.913 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408770740 1071784363 /nfs/dbraw/zinc/78/43/63/1071784363.db2.gz BSXILVXIHGUFBL-WSDLNYQXSA-N -1 0 594.418 5.618 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)sc2=N1 ZINC000409032004 1071784561 /nfs/dbraw/zinc/78/45/61/1071784561.db2.gz BVDFHHNSCOOLES-MIUGUJGPSA-N -1 0 634.154 5.346 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408768654 1071797619 /nfs/dbraw/zinc/79/76/19/1071797619.db2.gz ZRUBKLUGRHPILJ-RGVLZGJSSA-N -1 0 602.812 5.507 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408768886 1071797753 /nfs/dbraw/zinc/79/77/53/1071797753.db2.gz KXQWESWCCWZBBG-YBFXNURJSA-N -1 0 620.802 5.728 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1 ZINC000408768317 1071802120 /nfs/dbraw/zinc/80/21/20/1071802120.db2.gz FDYSPFWHHLJBOA-BUVRLJJBSA-N -1 0 588.401 5.998 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408768319 1071802161 /nfs/dbraw/zinc/80/21/61/1071802161.db2.gz FEJPSYLIPWWWBB-CIAFOILYSA-N -1 0 661.290 6.006 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c4ccccc34)C2=O)c(OC)cc1Cl ZINC000408767888 1071806354 /nfs/dbraw/zinc/80/63/54/1071806354.db2.gz AEUZQNNIZSPDGN-HYARGMPZSA-N -1 0 542.975 5.756 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408767672 1071806971 /nfs/dbraw/zinc/80/69/71/1071806971.db2.gz ZSQLURJOVXVXLW-JVWAILMASA-N -1 0 618.915 7.064 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408782336 1071812687 /nfs/dbraw/zinc/81/26/87/1071812687.db2.gz HRZGOWNHYCDQGD-BUVRLJJBSA-N -1 0 583.582 5.534 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000408781731 1071815637 /nfs/dbraw/zinc/81/56/37/1071815637.db2.gz FLOAYMXVKLUEDC-LICLKQGHSA-N -1 0 565.331 6.266 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408781359 1071817461 /nfs/dbraw/zinc/81/74/61/1071817461.db2.gz BUFYUPJRBPHCFV-MFKUBSTISA-N -1 0 632.454 6.397 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408780903 1071822602 /nfs/dbraw/zinc/82/26/02/1071822602.db2.gz MWIAGDWJVPQZNQ-CAOOACKPSA-N -1 0 693.834 5.124 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408781128 1071819992 /nfs/dbraw/zinc/81/99/92/1071819992.db2.gz ADLCJDOPDROTAU-GIJQJNRQSA-N -1 0 763.551 6.557 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409046680 1071829421 /nfs/dbraw/zinc/82/94/21/1071829421.db2.gz LEFFKVQOYDRKLO-JVWAILMASA-N -1 0 587.459 7.126 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)c1 ZINC000408779778 1071827631 /nfs/dbraw/zinc/82/76/31/1071827631.db2.gz KFLSJDKDGSKMQC-UFWORHAWSA-N -1 0 747.154 7.065 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409046761 1071830219 /nfs/dbraw/zinc/83/02/19/1071830219.db2.gz LTUSCFGIJKINCQ-FSJBWODESA-N -1 0 551.813 7.045 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408779445 1071830822 /nfs/dbraw/zinc/83/08/22/1071830822.db2.gz WWPJQMNTEICWNG-PCLIKHOPSA-N -1 0 541.401 6.156 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409046555 1071831457 /nfs/dbraw/zinc/83/14/57/1071831457.db2.gz KPCNMTNPUSIAOY-DJKKODMXSA-N -1 0 560.777 6.109 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000409045426 1071840738 /nfs/dbraw/zinc/84/07/38/1071840738.db2.gz GSCLQFNWSWWEHG-CIAFOILYSA-N -1 0 654.742 7.572 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408778251 1071838828 /nfs/dbraw/zinc/83/88/28/1071838828.db2.gz RPBTVRLSRFJDSG-VCHYOVAHSA-N -1 0 623.230 5.852 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2F)C1=O ZINC000409044909 1071843996 /nfs/dbraw/zinc/84/39/96/1071843996.db2.gz DGHGCKXSDFJIJI-LICLKQGHSA-N -1 0 533.770 6.340 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000409044884 1071844070 /nfs/dbraw/zinc/84/40/70/1071844070.db2.gz DASLDPDTPMWGGS-QGMBQPNBSA-N -1 0 622.672 6.558 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408777329 1071844141 /nfs/dbraw/zinc/84/41/41/1071844141.db2.gz YPHUDOHJZANIAK-WGOQTCKBSA-N -1 0 611.636 6.097 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccccc1 ZINC000409044962 1071844657 /nfs/dbraw/zinc/84/46/57/1071844657.db2.gz DXERSCXKYXBJFG-LICLKQGHSA-N -1 0 589.229 5.440 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409044976 1071844735 /nfs/dbraw/zinc/84/47/35/1071844735.db2.gz DZZPVFFJIXFWKF-WOJGMQOQSA-N -1 0 668.747 5.916 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000409044935 1071844886 /nfs/dbraw/zinc/84/48/86/1071844886.db2.gz DLWTVTKNQJBWTH-ZVHZXABRSA-N -1 0 561.421 6.791 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408787190 1071846105 /nfs/dbraw/zinc/84/61/05/1071846105.db2.gz UGOUOBSRPINDRQ-RQZCQDPDSA-N -1 0 648.837 5.216 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408786729 1071849294 /nfs/dbraw/zinc/84/92/94/1071849294.db2.gz VQQDMDUFONQRRH-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409044386 1071849779 /nfs/dbraw/zinc/84/97/79/1071849779.db2.gz BRSIWGAFASYVSC-GIJQJNRQSA-N -1 0 536.198 6.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409044186 1071851118 /nfs/dbraw/zinc/85/11/18/1071851118.db2.gz TYQQHLZSPAYOAZ-KGENOOAVSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409044218 1071851167 /nfs/dbraw/zinc/85/11/67/1071851167.db2.gz ULUCASWQNNNGTL-CNHKJKLMSA-N -1 0 673.572 7.726 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408786453 1071851706 /nfs/dbraw/zinc/85/17/06/1071851706.db2.gz QCTFXKFSWRLZIT-WOJGMQOQSA-N -1 0 651.284 6.551 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408786089 1071853048 /nfs/dbraw/zinc/85/30/48/1071853048.db2.gz LVFUYKQKGMYWJE-RGVLZGJSSA-N -1 0 616.839 5.815 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409043886 1071853545 /nfs/dbraw/zinc/85/35/45/1071853545.db2.gz BGKZYEKNNGFYIE-YBFXNURJSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409043883 1071853819 /nfs/dbraw/zinc/85/38/19/1071853819.db2.gz BEHWDRVTPKLXQQ-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408785212 1071858347 /nfs/dbraw/zinc/85/83/47/1071858347.db2.gz ZZBUDDCIWHFIRH-ZVHZXABRSA-N -1 0 532.427 6.588 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408785048 1071858942 /nfs/dbraw/zinc/85/89/42/1071858942.db2.gz XGZUJXZAIPHYMZ-VXLYETTFSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1 ZINC000408784883 1071859903 /nfs/dbraw/zinc/85/99/03/1071859903.db2.gz CZKODSAZWYUQBT-YDZHTSKRSA-N -1 0 667.297 6.761 40 10 KKCBRM O=C([O-])COc1c(I)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1I ZINC000408784746 1071861365 /nfs/dbraw/zinc/86/13/65/1071861365.db2.gz XEEWNEGSDHVKMF-UHFFFAOYSA-N -1 0 710.287 5.108 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408784769 1071861790 /nfs/dbraw/zinc/86/17/90/1071861790.db2.gz XGCYVJHLKRZNRO-CVKSISIWSA-N -1 0 611.636 6.151 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408784410 1071865287 /nfs/dbraw/zinc/86/52/87/1071865287.db2.gz SFPSUFQQCFMQSU-CIAFOILYSA-N -1 0 611.865 7.063 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409042547 1071870827 /nfs/dbraw/zinc/87/08/27/1071870827.db2.gz NFEIVGQJXZUFJP-GIJQJNRQSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408783997 1071866788 /nfs/dbraw/zinc/86/67/88/1071866788.db2.gz PEGMPXUPCWKITO-GIJQJNRQSA-N -1 0 555.768 5.077 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)c1 ZINC000408783652 1071869033 /nfs/dbraw/zinc/86/90/33/1071869033.db2.gz OCMXGAAJOGRMDA-WGOQTCKBSA-N -1 0 555.428 6.465 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408783666 1071869723 /nfs/dbraw/zinc/86/97/23/1071869723.db2.gz PUOJDWFLQWWFGP-UFFVCSGVSA-N -1 0 573.860 6.908 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408783472 1071869833 /nfs/dbraw/zinc/86/98/33/1071869833.db2.gz PMIGTPJDKNRGMS-WSDLNYQXSA-N -1 0 630.866 6.206 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408787284 1071876198 /nfs/dbraw/zinc/87/61/98/1071876198.db2.gz WNBMRZKEQJEOPE-SRZZPIQSSA-N -1 0 574.258 6.618 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C)cc3)C2=O)cc1 ZINC000409041929 1071876588 /nfs/dbraw/zinc/87/65/88/1071876588.db2.gz LBPWEBZMGSQXLT-CIAFOILYSA-N -1 0 600.263 5.774 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409042380 1071872204 /nfs/dbraw/zinc/87/22/04/1071872204.db2.gz MQXQCEJWNZWKJZ-REZTVBANSA-N -1 0 552.197 6.251 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000408783210 1071872318 /nfs/dbraw/zinc/87/23/18/1071872318.db2.gz MFBFRZAALVEDAL-PXLXIMEGSA-N -1 0 547.702 5.215 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408797241 1071877415 /nfs/dbraw/zinc/87/74/15/1071877415.db2.gz BZOPBJHMTPTFQO-ZVHZXABRSA-N -1 0 666.899 7.050 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408795444 1071882361 /nfs/dbraw/zinc/88/23/61/1071882361.db2.gz CDLIOKXAMXTSEK-MFKUBSTISA-N -1 0 555.030 6.618 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408791126 1071892115 /nfs/dbraw/zinc/89/21/15/1071892115.db2.gz UNAQUWSHWCDTJM-XDHOZWIPSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409040556 1071888705 /nfs/dbraw/zinc/88/87/05/1071888705.db2.gz GRTKCXRNKBZEHE-KEBDBYFISA-N -1 0 659.864 5.254 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409040582 1071889103 /nfs/dbraw/zinc/88/91/03/1071889103.db2.gz GVTVYCOIHFZXRG-GIJQJNRQSA-N -1 0 557.302 5.055 40 10 KKCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409040635 1071889661 /nfs/dbraw/zinc/88/96/61/1071889661.db2.gz HGPTZEDKYOBPOU-UDWIEESQSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408791430 1071889810 /nfs/dbraw/zinc/88/98/10/1071889810.db2.gz YSGPGNQBDIXENB-GIJQJNRQSA-N -1 0 580.251 6.944 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408790019 1071894419 /nfs/dbraw/zinc/89/44/19/1071894419.db2.gz QDJKZGJNXOSIQB-YDZHTSKRSA-N -1 0 620.297 6.919 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409039845 1071895319 /nfs/dbraw/zinc/89/53/19/1071895319.db2.gz DVJAQYVNJDCMAR-QGMBQPNBSA-N -1 0 639.127 7.072 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408788228 1071899075 /nfs/dbraw/zinc/89/90/75/1071899075.db2.gz CJNWHXPOJHCOPP-WSDLNYQXSA-N -1 0 628.317 6.473 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408788661 1071897794 /nfs/dbraw/zinc/89/77/94/1071897794.db2.gz FWBGGNXHLFKCRK-JFLMPSFJSA-N -1 0 588.433 6.241 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408806692 1071903801 /nfs/dbraw/zinc/90/38/01/1071903801.db2.gz BFNFYQHMXONFNZ-CIAFOILYSA-N -1 0 524.932 5.132 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408805483 1071906404 /nfs/dbraw/zinc/90/64/04/1071906404.db2.gz KOVXNGGWBXLQRC-YBFXNURJSA-N -1 0 586.236 5.466 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2Br)cc1 ZINC000408805810 1071905648 /nfs/dbraw/zinc/90/56/48/1071905648.db2.gz HTZVRHKPDLIFOL-FYJGNVAPSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408805875 1071905806 /nfs/dbraw/zinc/90/58/06/1071905806.db2.gz HZXSZNXTRRSUDM-VXLYETTFSA-N -1 0 501.753 5.892 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1C ZINC000409038672 1071905849 /nfs/dbraw/zinc/90/58/49/1071905849.db2.gz ANTJINDMTVGYTG-SRZZPIQSSA-N -1 0 513.352 5.995 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408788292 1071899744 /nfs/dbraw/zinc/89/97/44/1071899744.db2.gz DOXNPOYRDXOUEG-OGLMXYFKSA-N -1 0 614.565 6.884 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409039229 1071900240 /nfs/dbraw/zinc/90/02/40/1071900240.db2.gz BZZVMFGYOVZCHG-DJKKODMXSA-N -1 0 635.652 6.019 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408805239 1071906766 /nfs/dbraw/zinc/90/67/66/1071906766.db2.gz FFORTLACBRHGNP-GZTJUZNOSA-N -1 0 531.779 5.901 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000408805256 1071906937 /nfs/dbraw/zinc/90/69/37/1071906937.db2.gz FMGQYVNXBYRTQD-FYJGNVAPSA-N -1 0 509.389 6.164 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408805067 1071907496 /nfs/dbraw/zinc/90/74/96/1071907496.db2.gz CZKUCBMJNBENNT-CVKSISIWSA-N -1 0 678.454 6.263 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408804695 1071909427 /nfs/dbraw/zinc/90/94/27/1071909427.db2.gz GQTQVWAOGAPTKT-LFVJCYFKSA-N -1 0 541.401 6.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408803008 1071909842 /nfs/dbraw/zinc/90/98/42/1071909842.db2.gz KIWOIQQUXSBLFS-TURZUDJPSA-N -1 0 548.595 5.910 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408802815 1071911249 /nfs/dbraw/zinc/91/12/49/1071911249.db2.gz HSDURNQGZNRPTG-SRZZPIQSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408802282 1071911791 /nfs/dbraw/zinc/91/17/91/1071911791.db2.gz XYHGSLXAHBMRHF-UDWIEESQSA-N -1 0 583.866 6.363 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408802273 1071911969 /nfs/dbraw/zinc/91/19/69/1071911969.db2.gz XXWCXQNHUNUMSR-VCHYOVAHSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408802238 1071911994 /nfs/dbraw/zinc/91/19/94/1071911994.db2.gz YPJKYCSTXIIHSW-CIAFOILYSA-N -1 0 616.839 5.897 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408798029 1071912945 /nfs/dbraw/zinc/91/29/45/1071912945.db2.gz DOIVDXRUOMHZLG-CAOOACKPSA-N -1 0 576.776 5.809 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409047501 1071916205 /nfs/dbraw/zinc/91/62/05/1071916205.db2.gz OBDODZKXPNALAV-LICLKQGHSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409056897 1071918273 /nfs/dbraw/zinc/91/82/73/1071918273.db2.gz NITNGSYXMFZVPU-VCHYOVAHSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409056261 1071923735 /nfs/dbraw/zinc/92/37/35/1071923735.db2.gz LJLABSWXWLSOND-MTDXEUNCSA-N -1 0 640.490 6.020 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000409055627 1071926659 /nfs/dbraw/zinc/92/66/59/1071926659.db2.gz JOYSVVJDNWYDGB-QGMBQPNBSA-N -1 0 622.672 6.558 40 10 KKCBRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000409055305 1071928469 /nfs/dbraw/zinc/92/84/69/1071928469.db2.gz KTUUBLIJTLCGCC-MRXNPFEDSA-N -1 0 562.113 6.822 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1C ZINC000409050038 1071959938 /nfs/dbraw/zinc/95/99/38/1071959938.db2.gz ZPKWZKAEUHKUEP-SRZZPIQSSA-N -1 0 529.807 6.509 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000409049974 1071961696 /nfs/dbraw/zinc/96/16/96/1071961696.db2.gz ZDOJYIUTCKEJCN-RGVLZGJSSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409049400 1071965648 /nfs/dbraw/zinc/96/56/48/1071965648.db2.gz WOUJZYJSNFHOFA-CIAFOILYSA-N -1 0 568.413 5.384 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409048610 1071969790 /nfs/dbraw/zinc/96/97/90/1071969790.db2.gz SRFXWMRDTFJHRX-YDZHTSKRSA-N -1 0 653.473 5.299 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1 ZINC000409048593 1071969801 /nfs/dbraw/zinc/96/98/01/1071969801.db2.gz SLPSUTMKLFOWDB-ZVHZXABRSA-N -1 0 575.404 6.179 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409048410 1071971090 /nfs/dbraw/zinc/97/10/90/1071971090.db2.gz SWEJPOGVEPCXQK-YBFXNURJSA-N -1 0 659.864 5.254 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C)cc3)C2=O)cc1 ZINC000409048384 1071973197 /nfs/dbraw/zinc/97/31/97/1071973197.db2.gz STSVKGOLKSOTCA-CIAFOILYSA-N -1 0 511.361 5.556 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1 ZINC000409048185 1071973805 /nfs/dbraw/zinc/97/38/05/1071973805.db2.gz RABLSGLIKIQBBB-YBFXNURJSA-N -1 0 531.779 5.901 40 10 KKCBRM O=C1C(=Cc2cc(Br)c([O-])c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409048238 1071974477 /nfs/dbraw/zinc/97/44/77/1071974477.db2.gz RXASUFVXZBWUJF-UHFFFAOYSA-N -1 0 542.183 5.501 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 ZINC000409059235 1071982328 /nfs/dbraw/zinc/98/23/28/1071982328.db2.gz VPBDLVWAYWGRPV-VXLYETTFSA-N -1 0 515.324 5.387 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409058800 1071984453 /nfs/dbraw/zinc/98/44/53/1071984453.db2.gz TVLRYDDBADTVCX-QGMBQPNBSA-N -1 0 530.295 5.286 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1 ZINC000409058828 1071984870 /nfs/dbraw/zinc/98/48/70/1071984870.db2.gz TZHMPAJWUJYTAT-VCHYOVAHSA-N -1 0 618.709 6.727 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409058117 1071989580 /nfs/dbraw/zinc/98/95/80/1071989580.db2.gz RJQRHNLWZLINJH-JVWAILMASA-N -1 0 626.065 5.920 40 10 KKCBRM CC(C)(C)[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409064516 1072014534 /nfs/dbraw/zinc/01/45/34/1072014534.db2.gz CTAYKZMYRMPZNY-INIZCTEOSA-N -1 0 503.089 6.606 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1Cl ZINC000409063559 1072021168 /nfs/dbraw/zinc/02/11/68/1072021168.db2.gz CGYIHWQSCOVBHP-VCHYOVAHSA-N -1 0 565.818 5.389 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409060140 1072035854 /nfs/dbraw/zinc/03/58/54/1072035854.db2.gz XTDLVUBQJKQCGF-RQZCQDPDSA-N -1 0 560.777 6.109 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077188 1072041399 /nfs/dbraw/zinc/04/13/99/1072041399.db2.gz DEYQLVGGCNGYAC-GZTJUZNOSA-N -1 0 576.281 5.835 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409077192 1072041432 /nfs/dbraw/zinc/04/14/32/1072041432.db2.gz DFDLNLQTIJQGOS-RQZCQDPDSA-N -1 0 580.302 6.688 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409076470 1072050407 /nfs/dbraw/zinc/05/04/07/1072050407.db2.gz ARFFAVDXBISGSJ-OVCLIPMQSA-N -1 0 543.275 5.269 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409076244 1072054186 /nfs/dbraw/zinc/05/41/86/1072054186.db2.gz AFPUTYZSWIFDNP-YBFXNURJSA-N -1 0 596.936 5.413 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1Cl ZINC000409074926 1072065733 /nfs/dbraw/zinc/06/57/33/1072065733.db2.gz OKRVCJWRNMJFOS-VCHYOVAHSA-N -1 0 610.269 5.498 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409073282 1072076661 /nfs/dbraw/zinc/07/66/61/1072076661.db2.gz GSGHEYOTXRZRER-GZTJUZNOSA-N -1 0 610.269 5.498 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409072315 1072084466 /nfs/dbraw/zinc/08/44/66/1072084466.db2.gz UUYUXFAAXSXAIA-XNTDXEJSSA-N -1 0 640.693 5.299 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Br)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409071787 1072086715 /nfs/dbraw/zinc/08/67/15/1072086715.db2.gz PXDVBQSJBKLAJY-UHFFFAOYSA-N -1 0 676.317 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409071454 1072090473 /nfs/dbraw/zinc/09/04/73/1072090473.db2.gz OOQSEGZPRPUNBY-KOEQRZSOSA-N -1 0 633.476 5.462 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409070240 1072097025 /nfs/dbraw/zinc/09/70/25/1072097025.db2.gz YHPMYEWSTGGDSP-SFQUDFHCSA-N -1 0 519.862 6.629 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069059 1072106938 /nfs/dbraw/zinc/10/69/38/1072106938.db2.gz UQRSPGAEDJHOQJ-MHWRWJLKSA-N -1 0 581.817 5.090 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409069507 1072103219 /nfs/dbraw/zinc/10/32/19/1072103219.db2.gz DELQHHKDQFLEGM-VCHYOVAHSA-N -1 0 698.729 5.086 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068487 1072111742 /nfs/dbraw/zinc/11/17/42/1072111742.db2.gz RQQXCRYOSIMIHU-MFKUBSTISA-N -1 0 746.817 6.878 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409068821 1072109717 /nfs/dbraw/zinc/10/97/17/1072109717.db2.gz IUOMGWVINYKAIV-WOJGMQOQSA-N -1 0 503.794 6.464 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079985 1072127896 /nfs/dbraw/zinc/12/78/96/1072127896.db2.gz CRDLZYMMFNRWLP-VCHYOVAHSA-N -1 0 575.883 6.124 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079788 1072128796 /nfs/dbraw/zinc/12/87/96/1072128796.db2.gz LTNWCTHWRQXBNN-LDADJPATSA-N -1 0 541.438 5.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079358 1072134123 /nfs/dbraw/zinc/13/41/23/1072134123.db2.gz FNMRTERLBHJWSA-FRKPEAEDSA-N -1 0 600.720 7.033 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409079484 1072135489 /nfs/dbraw/zinc/13/54/89/1072135489.db2.gz GEBTURRRCGVTDB-OEAKJJBVSA-N -1 0 614.954 6.194 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078415 1072146124 /nfs/dbraw/zinc/14/61/24/1072146124.db2.gz COSKWKCYCLWYMT-RQZCQDPDSA-N -1 0 723.230 5.728 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078715 1072143051 /nfs/dbraw/zinc/14/30/51/1072143051.db2.gz HYYFNFORLSDYMN-XDHOZWIPSA-N -1 0 571.464 5.480 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409078742 1072143518 /nfs/dbraw/zinc/14/35/18/1072143518.db2.gz JMXKZEQNNAVDEY-RQZCQDPDSA-N -1 0 580.302 6.688 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1Cl ZINC000409078538 1072144469 /nfs/dbraw/zinc/14/44/69/1072144469.db2.gz IPABASWPTSLNPY-LZYBPNLTSA-N -1 0 557.302 5.577 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077291 1072157260 /nfs/dbraw/zinc/15/72/60/1072157260.db2.gz DSNPBRCVKJQMPK-YDZHTSKRSA-N -1 0 689.431 6.312 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409086581 1072165277 /nfs/dbraw/zinc/16/52/77/1072165277.db2.gz FJSKGAQSWKQQCC-LZYBPNLTSA-N -1 0 557.302 5.577 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409086000 1072172082 /nfs/dbraw/zinc/17/20/82/1072172082.db2.gz POQNMPHPBNCDDG-CXUHLZMHSA-N -1 0 543.275 5.269 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409085874 1072174221 /nfs/dbraw/zinc/17/42/21/1072174221.db2.gz OTUOBYQNWVWJOZ-VCHYOVAHSA-N -1 0 610.328 6.778 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082712 1072207113 /nfs/dbraw/zinc/20/71/13/1072207113.db2.gz SNGWVJCLPBVPPZ-VIZOYTHASA-N -1 0 689.224 7.540 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082890 1072205787 /nfs/dbraw/zinc/20/57/87/1072205787.db2.gz UANAFRUJKQAOEW-FRKPEAEDSA-N -1 0 588.272 5.177 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409081986 1072215868 /nfs/dbraw/zinc/21/58/68/1072215868.db2.gz OYMAXDFMGCKRMJ-ITYLOYPMSA-N -1 0 508.961 6.452 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000409097061 1072230098 /nfs/dbraw/zinc/23/00/98/1072230098.db2.gz MXMZDQAYTVOBTP-CAOOACKPSA-N -1 0 502.828 5.902 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409093816 1072249226 /nfs/dbraw/zinc/24/92/26/1072249226.db2.gz AJTGFUXNUMVORC-JVWAILMASA-N -1 0 541.650 6.922 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)o2)c(Br)c1 ZINC000409093638 1072251681 /nfs/dbraw/zinc/25/16/81/1072251681.db2.gz AXAYBLLUEXZDRO-WJDWOHSUSA-N -1 0 515.816 5.811 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409092579 1072261734 /nfs/dbraw/zinc/26/17/34/1072261734.db2.gz XCUWBXUEZPJQFK-WLRTZDKTSA-N -1 0 635.165 7.686 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092389 1072262508 /nfs/dbraw/zinc/26/25/08/1072262508.db2.gz VJSGJJVMKJXSKP-VIZOYTHASA-N -1 0 666.224 6.430 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409092449 1072263008 /nfs/dbraw/zinc/26/30/08/1072263008.db2.gz YIQKCKSVZSNXAT-KGENOOAVSA-N -1 0 522.026 5.064 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409091123 1072275083 /nfs/dbraw/zinc/27/50/83/1072275083.db2.gz PKMFZPPGYJITPU-RQZCQDPDSA-N -1 0 587.328 5.667 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409090890 1072275479 /nfs/dbraw/zinc/27/54/79/1072275479.db2.gz RDEXONISWHWZBW-LICLKQGHSA-N -1 0 518.853 6.194 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409091408 1072272235 /nfs/dbraw/zinc/27/22/35/1072272235.db2.gz UBEPPEKVVHJHMY-YBFXNURJSA-N -1 0 575.859 5.492 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090657 1072279155 /nfs/dbraw/zinc/27/91/55/1072279155.db2.gz MXMZLDDPWFSBFO-MKMNVTDBSA-N -1 0 635.165 7.686 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409090200 1072282920 /nfs/dbraw/zinc/28/29/20/1072282920.db2.gz MHGDOQDDNHKNKJ-OVCLIPMQSA-N -1 0 632.177 5.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409090286 1072283423 /nfs/dbraw/zinc/28/34/23/1072283423.db2.gz MAYDNJGCKNCSAU-WQRHYEAKSA-N -1 0 531.830 5.726 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089795 1072286585 /nfs/dbraw/zinc/28/65/85/1072286585.db2.gz KCXBVXXRGSQNIK-VIZOYTHASA-N -1 0 621.773 6.321 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409102177 1072309479 /nfs/dbraw/zinc/30/94/79/1072309479.db2.gz CZRKDXPSEHKMLL-WGOQTCKBSA-N -1 0 585.657 5.661 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409102086 1072311330 /nfs/dbraw/zinc/31/13/30/1072311330.db2.gz UUDZJSNFTWWGTD-GDNBJRDFSA-N -1 0 503.363 5.102 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC ZINC000409100783 1072318540 /nfs/dbraw/zinc/31/85/40/1072318540.db2.gz WSJXZWVRPOGNCR-NTEUORMPSA-N -1 0 523.836 5.040 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409100875 1072317686 /nfs/dbraw/zinc/31/76/86/1072317686.db2.gz VRCXLJOZUIZABK-WSDLNYQXSA-N -1 0 556.459 6.141 40 10 KKCBRM Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000409334845 1072342147 /nfs/dbraw/zinc/34/21/47/1072342147.db2.gz IXAMBVOLYJQOAQ-BXTSTYNKSA-N -1 0 504.677 6.117 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409106301 1072344816 /nfs/dbraw/zinc/34/48/16/1072344816.db2.gz REFPSKXSOOJURL-PLRJNAJWSA-N -1 0 578.455 7.785 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409106010 1072346504 /nfs/dbraw/zinc/34/65/04/1072346504.db2.gz KKKGKSUQGPNZRT-UNOMPAQXSA-N -1 0 528.859 5.650 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409333580 1072352389 /nfs/dbraw/zinc/35/23/89/1072352389.db2.gz HXXFUQDUIZOGTG-NEPBQVNBSA-N -1 0 598.681 5.327 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409104584 1072354747 /nfs/dbraw/zinc/35/47/47/1072354747.db2.gz JWRFQOXYJYCSSH-GIJQJNRQSA-N -1 0 638.332 6.252 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409102281 1072366510 /nfs/dbraw/zinc/36/65/10/1072366510.db2.gz RLYAVVFNNGGTOI-HZHRSRAPSA-N -1 0 540.406 6.816 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)cc1N1CCCC[C@@H]1C ZINC000409331373 1072369597 /nfs/dbraw/zinc/36/95/97/1072369597.db2.gz CAANCQSKAFKEMZ-RKEBYBPRSA-N -1 0 580.085 6.510 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409329062 1072388103 /nfs/dbraw/zinc/38/81/03/1072388103.db2.gz CMVRKMZYVNWGLK-FYJGNVAPSA-N -1 0 531.080 5.925 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccccc1F ZINC000409328681 1072391221 /nfs/dbraw/zinc/39/12/21/1072391221.db2.gz ZTWUGUJIRGPHPV-UDWIEESQSA-N -1 0 500.598 5.021 40 10 KKCBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409328451 1072391839 /nfs/dbraw/zinc/39/18/39/1072391839.db2.gz VQBPVHBGSGCHAK-NTUHNPAUSA-N -1 0 644.091 5.770 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409328364 1072393584 /nfs/dbraw/zinc/39/35/84/1072393584.db2.gz SXVMWTIQQCNBOA-MFOYZWKCSA-N -1 0 542.860 5.366 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409108543 1072405229 /nfs/dbraw/zinc/40/52/29/1072405229.db2.gz WRCUPYZAOMANHT-ZVHZXABRSA-N -1 0 643.634 5.551 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)c1 ZINC000409345908 1072421189 /nfs/dbraw/zinc/42/11/89/1072421189.db2.gz MBLQEWMVTMTEKT-ZDLGFXPLSA-N -1 0 519.387 5.498 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409127199 1072448173 /nfs/dbraw/zinc/44/81/73/1072448173.db2.gz CARQZDNRBSEDJS-OVVQPSECSA-N -1 0 585.056 6.532 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409341784 1072454830 /nfs/dbraw/zinc/45/48/30/1072454830.db2.gz CCXQDEHYGCPVCM-WOJGMQOQSA-N -1 0 562.492 5.039 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409135827 1072483764 /nfs/dbraw/zinc/48/37/64/1072483764.db2.gz QTCARVLSHWLFJG-UFFVCSGVSA-N -1 0 633.912 6.694 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409135237 1072487729 /nfs/dbraw/zinc/48/77/29/1072487729.db2.gz VXAOITUOMDRKAT-OEAKJJBVSA-N -1 0 609.473 5.496 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409338306 1072487788 /nfs/dbraw/zinc/48/77/88/1072487788.db2.gz HNBODKXYOWFWEO-MFOYZWKCSA-N -1 0 589.860 5.208 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409134538 1072491145 /nfs/dbraw/zinc/49/11/45/1072491145.db2.gz SASCBUIDUDKDOU-HZHRSRAPSA-N -1 0 597.437 5.627 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409133360 1072498832 /nfs/dbraw/zinc/49/88/32/1072498832.db2.gz SRCHSFJBVQLTJH-YDZHTSKRSA-N -1 0 613.494 6.431 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409130461 1072514285 /nfs/dbraw/zinc/51/42/85/1072514285.db2.gz HYFBKDMYELISLP-YDZHTSKRSA-N -1 0 623.500 5.805 40 10 KKCBRM CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409130109 1072517030 /nfs/dbraw/zinc/51/70/30/1072517030.db2.gz KJFKDTJGVZUJKU-QRVIBDJDSA-N -1 0 581.444 5.525 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409129885 1072517470 /nfs/dbraw/zinc/51/74/70/1072517470.db2.gz MOVUDCGGQXCHIA-LPYMAVHISA-N -1 0 704.945 6.382 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409129193 1072521311 /nfs/dbraw/zinc/52/13/11/1072521311.db2.gz FLZRNDNNFURYSN-LPYMAVHISA-N -1 0 754.983 5.570 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409128052 1072527959 /nfs/dbraw/zinc/52/79/59/1072527959.db2.gz RJFQVKNFCVRZPQ-IMRQLAEWSA-N -1 0 505.643 6.209 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409144491 1072533893 /nfs/dbraw/zinc/53/38/93/1072533893.db2.gz ODVKRBCYNADRDN-FYJGNVAPSA-N -1 0 663.930 5.330 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)c1 ZINC000409347338 1072564735 /nfs/dbraw/zinc/56/47/35/1072564735.db2.gz PMUHFCAYAKKTQU-GIJQJNRQSA-N -1 0 510.807 7.011 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409138493 1072569345 /nfs/dbraw/zinc/56/93/45/1072569345.db2.gz CPYLNRTYTNFPSG-WSDLNYQXSA-N -1 0 610.019 5.295 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409137586 1072575756 /nfs/dbraw/zinc/57/57/56/1072575756.db2.gz WBCXNMBOXQTTLJ-OEAKJJBVSA-N -1 0 565.022 5.387 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)ccc1Cl ZINC000409146625 1072580957 /nfs/dbraw/zinc/58/09/57/1072580957.db2.gz UKTUDAOZLFVWOL-ZVBGSRNCSA-N -1 0 543.066 5.747 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)c1 ZINC000409146180 1072583774 /nfs/dbraw/zinc/58/37/74/1072583774.db2.gz KAWPMRIPLFQSCU-BUVRLJJBSA-N -1 0 522.630 5.037 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364576 1072583929 /nfs/dbraw/zinc/58/39/29/1072583929.db2.gz QINOVKPWGFHAED-DJKKODMXSA-N -1 0 616.827 5.243 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)cc1 ZINC000409145584 1072586914 /nfs/dbraw/zinc/58/69/14/1072586914.db2.gz IVWUQOIAGAKIKW-BUVRLJJBSA-N -1 0 522.630 5.037 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409362489 1072593960 /nfs/dbraw/zinc/59/39/60/1072593960.db2.gz GQDMPPLOKZVDLO-MFOYZWKCSA-N -1 0 607.219 5.579 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1)Nc1ccc(F)cc1 ZINC000409362464 1072594019 /nfs/dbraw/zinc/59/40/19/1072594019.db2.gz GIAWCNDBKGDYGS-VEILYXNESA-N -1 0 565.557 5.089 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O ZINC000409361214 1072602385 /nfs/dbraw/zinc/60/23/85/1072602385.db2.gz AXJWTYXXHMYLHP-WQRHYEAKSA-N -1 0 586.801 5.234 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2)cc1C ZINC000409377215 1072625391 /nfs/dbraw/zinc/62/53/91/1072625391.db2.gz FTAAVQVNTIFGJR-VTNSRFBWSA-N -1 0 603.719 6.455 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409376897 1072626804 /nfs/dbraw/zinc/62/68/04/1072626804.db2.gz DWGDIJKSRYYFER-ODLFYWEKSA-N -1 0 574.804 5.339 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409150279 1072630482 /nfs/dbraw/zinc/63/04/82/1072630482.db2.gz ASHHDKHZEAFJJR-KYTVRQNUSA-N -1 0 520.423 6.870 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409375694 1072632213 /nfs/dbraw/zinc/63/22/13/1072632213.db2.gz OAJOILLFQFGUBU-PCLIKHOPSA-N -1 0 618.496 6.417 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C1=O ZINC000409374916 1072634364 /nfs/dbraw/zinc/63/43/64/1072634364.db2.gz BPQSPFGQANPBDN-GZTJUZNOSA-N -1 0 586.801 5.234 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000409373181 1072642948 /nfs/dbraw/zinc/64/29/48/1072642948.db2.gz RZZXEYGWCCETAT-NVMNQCDNSA-N -1 0 568.847 6.543 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409373067 1072643492 /nfs/dbraw/zinc/64/34/92/1072643492.db2.gz QKWOHXNURYGISN-VXLYETTFSA-N -1 0 515.349 5.226 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409372986 1072643544 /nfs/dbraw/zinc/64/35/44/1072643544.db2.gz OUQGEBSZRHXSID-WSDLNYQXSA-N -1 0 608.388 5.287 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409372508 1072644471 /nfs/dbraw/zinc/64/44/71/1072644471.db2.gz LJBMEFJEIABRFT-QGMBQPNBSA-N -1 0 594.245 5.989 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409372449 1072645554 /nfs/dbraw/zinc/64/55/54/1072645554.db2.gz DOOHTXPGBUCKHF-YDZHTSKRSA-N -1 0 530.964 5.726 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000409370271 1072655331 /nfs/dbraw/zinc/65/53/31/1072655331.db2.gz NZMWEKBFCCBJHC-XSFVSMFZSA-N -1 0 511.430 5.966 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409163901 1072661713 /nfs/dbraw/zinc/66/17/13/1072661713.db2.gz ZHPDMILJERZHCC-KABRZNFWSA-N -1 0 589.313 8.177 40 10 KKCBRM Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000409163681 1072663737 /nfs/dbraw/zinc/66/37/37/1072663737.db2.gz WFKNFCFUPUNFJF-JAIQZWGSSA-N -1 0 510.955 5.590 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1Cl ZINC000409368243 1072666690 /nfs/dbraw/zinc/66/66/90/1072666690.db2.gz QCRXHRNGVWZKEI-NVMNQCDNSA-N -1 0 568.847 6.543 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409379280 1072671164 /nfs/dbraw/zinc/67/11/64/1072671164.db2.gz WMDDMEJHJOSLGH-PXLXIMEGSA-N -1 0 504.583 5.197 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1OCC ZINC000409378983 1072672112 /nfs/dbraw/zinc/67/21/12/1072672112.db2.gz TWUZHFFPSAVZNP-PXLXIMEGSA-N -1 0 652.100 5.619 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409162042 1072673151 /nfs/dbraw/zinc/67/31/51/1072673151.db2.gz CFFCSOKPLKCUMV-DYLHXGEVSA-N -1 0 589.313 8.177 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409378900 1072673557 /nfs/dbraw/zinc/67/35/57/1072673557.db2.gz SCMBDDWGWQPTGU-YVLHZVERSA-N -1 0 618.857 5.738 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(I)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409378894 1072673564 /nfs/dbraw/zinc/67/35/64/1072673564.db2.gz TVUALDYCBLLDCI-CIAFOILYSA-N -1 0 677.358 6.035 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409378779 1072674585 /nfs/dbraw/zinc/67/45/85/1072674585.db2.gz RSPGWFQVZRDMLH-VCHYOVAHSA-N -1 0 630.854 5.633 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409378495 1072674640 /nfs/dbraw/zinc/67/46/40/1072674640.db2.gz QEFPTYHZNLTRPI-OFWBYEQRSA-N -1 0 632.583 7.968 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc(F)c4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409378476 1072676187 /nfs/dbraw/zinc/67/61/87/1072676187.db2.gz PUHUUTCEHREUJP-CIAFOILYSA-N -1 0 569.452 5.570 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409386936 1072684408 /nfs/dbraw/zinc/68/44/08/1072684408.db2.gz ORVNKHXPZUXREK-YZSQISJMSA-N -1 0 571.496 6.575 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(I)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409385848 1072690613 /nfs/dbraw/zinc/69/06/13/1072690613.db2.gz KJYLPJYKRPUGNP-CIAFOILYSA-N -1 0 632.907 5.926 40 10 KKCBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409385790 1072692003 /nfs/dbraw/zinc/69/20/03/1072692003.db2.gz KHERTJZMHYUISB-ZWSXMNCCSA-N -1 0 513.830 5.664 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000409385376 1072692935 /nfs/dbraw/zinc/69/29/35/1072692935.db2.gz IEGHRRVNOWFIDX-LPYMAVHISA-N -1 0 630.479 5.802 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409385637 1072693002 /nfs/dbraw/zinc/69/30/02/1072693002.db2.gz IOQLLKUGRFUCAB-SRZZPIQSSA-N -1 0 598.439 5.393 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409385176 1072695320 /nfs/dbraw/zinc/69/53/20/1072695320.db2.gz GJXLHMMHHRKHSF-VCHYOVAHSA-N -1 0 584.412 5.003 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409385036 1072696186 /nfs/dbraw/zinc/69/61/86/1072696186.db2.gz GQUSRWMDDJCAQJ-HYARGMPZSA-N -1 0 551.462 5.430 40 10 KKCBRM Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384400 1072698957 /nfs/dbraw/zinc/69/89/57/1072698957.db2.gz CDWSCECPLXJESA-JAIQZWGSSA-N -1 0 544.460 6.132 40 10 KKCBRM Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384298 1072700404 /nfs/dbraw/zinc/70/04/04/1072700404.db2.gz AOYAREBDGQKBAN-JMIUGGIZSA-N -1 0 544.460 6.132 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000409383605 1072700884 /nfs/dbraw/zinc/70/08/84/1072700884.db2.gz XZONSVCQPZPNRG-LPYMAVHISA-N -1 0 738.385 6.267 40 10 KKCBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409383537 1072701894 /nfs/dbraw/zinc/70/18/94/1072701894.db2.gz WKNAJGWLBYSZKU-RGZVIEDOSA-N -1 0 523.836 5.120 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC(=O)Nc4ccc(F)cc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409383407 1072702821 /nfs/dbraw/zinc/70/28/21/1072702821.db2.gz URJMUHPGBFPWPW-CIAFOILYSA-N -1 0 612.477 5.008 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[N-]C1=S ZINC000409166455 1072704567 /nfs/dbraw/zinc/70/45/67/1072704567.db2.gz FZEOXCABAKEAEV-BWAHOGKJSA-N -1 0 507.615 5.601 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409382955 1072704692 /nfs/dbraw/zinc/70/46/92/1072704692.db2.gz SEBWXSPEZOTYJT-NDENLUEZSA-N -1 0 584.412 5.085 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409382801 1072705045 /nfs/dbraw/zinc/70/50/45/1072705045.db2.gz OZPYBWLQWANASH-BOPFTXTBSA-N -1 0 572.376 5.215 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409382757 1072705067 /nfs/dbraw/zinc/70/50/67/1072705067.db2.gz QNNWCOMNVVAORB-BOPFTXTBSA-N -1 0 619.255 5.448 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409382675 1072706030 /nfs/dbraw/zinc/70/60/30/1072706030.db2.gz NGSINMQJXXODFR-KGENOOAVSA-N -1 0 640.064 5.749 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Cl)Nc1ccccc1F ZINC000409381495 1072711192 /nfs/dbraw/zinc/71/11/92/1072711192.db2.gz HEOBANAVAQXNGY-OQLLNIDSSA-N -1 0 562.768 5.470 40 10 KKCBRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(/N=N\c3ccc(C)cc3)cc2)ccc1OC(C)=O ZINC000409381135 1072713091 /nfs/dbraw/zinc/71/30/91/1072713091.db2.gz FPOFKYBREBMYNY-VULVEJJSSA-N -1 0 727.679 5.753 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409381240 1072713617 /nfs/dbraw/zinc/71/36/17/1072713617.db2.gz KYCZHZMLNDYSRG-MOSHPQCFSA-N -1 0 626.037 5.359 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409380910 1072715492 /nfs/dbraw/zinc/71/54/92/1072715492.db2.gz BXGVWMRSHMDUMF-MTJSOVHGSA-N -1 0 584.412 5.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409379847 1072720502 /nfs/dbraw/zinc/72/05/02/1072720502.db2.gz ABKQBVMKXYYVHU-SRZZPIQSSA-N -1 0 642.890 5.502 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1F ZINC000409379527 1072722392 /nfs/dbraw/zinc/72/23/92/1072722392.db2.gz XFLIREPQJUIUTL-UQQQWYQISA-N -1 0 600.002 5.742 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409392392 1072726220 /nfs/dbraw/zinc/72/62/20/1072726220.db2.gz LZDPBMRQPKSCCT-OOAXWGSJSA-N -1 0 510.553 5.873 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C(=O)[N-]C1=S ZINC000409173768 1072726368 /nfs/dbraw/zinc/72/63/68/1072726368.db2.gz RQSONHSARZRFLJ-HZHRSRAPSA-N -1 0 613.608 5.543 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)[N-]C1=S ZINC000409172553 1072733081 /nfs/dbraw/zinc/73/30/81/1072733081.db2.gz KQWUZSSZRUJBPW-KOEQRZSOSA-N -1 0 517.610 5.683 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)[N-]C1=S ZINC000409172416 1072733711 /nfs/dbraw/zinc/73/37/11/1072733711.db2.gz HNRNKQGMLSFIPY-SDNWHVSQSA-N -1 0 517.788 5.202 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409171914 1072736167 /nfs/dbraw/zinc/73/61/67/1072736167.db2.gz DIQQJIMOZNBODR-CIAFOILYSA-N -1 0 554.422 5.230 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl)Nc1ccccc1F ZINC000409388689 1072736569 /nfs/dbraw/zinc/73/65/69/1072736569.db2.gz WGXUNUOMBTZMMD-GXDHUFHOSA-N -1 0 562.768 5.470 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409400531 1072745657 /nfs/dbraw/zinc/74/56/57/1072745657.db2.gz SPEIJQMMVCFQON-IUXPMGMMSA-N -1 0 552.639 6.450 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409400159 1072746737 /nfs/dbraw/zinc/74/67/37/1072746737.db2.gz PMZRQPGINDBKMZ-ODLFYWEKSA-N -1 0 562.645 5.905 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409400228 1072747156 /nfs/dbraw/zinc/74/71/56/1072747156.db2.gz QQGRTVBJVPSEPL-MFOYZWKCSA-N -1 0 627.116 6.567 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000409399526 1072749141 /nfs/dbraw/zinc/74/91/41/1072749141.db2.gz JHTVKIRKAAJBLP-ZDLGFXPLSA-N -1 0 528.746 5.051 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409399573 1072749178 /nfs/dbraw/zinc/74/91/78/1072749178.db2.gz JNZXDFKGMWWHOA-ZDLGFXPLSA-N -1 0 528.746 5.051 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc2ccccc21 ZINC000409399488 1072749703 /nfs/dbraw/zinc/74/97/03/1072749703.db2.gz JCLDDTSMCFHDSZ-HMAPJEAMSA-N -1 0 608.286 6.414 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Br)cc1Br ZINC000409399415 1072750272 /nfs/dbraw/zinc/75/02/72/1072750272.db2.gz IIVSHSWALJGPRT-ODLFYWEKSA-N -1 0 607.096 6.015 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000409399191 1072750663 /nfs/dbraw/zinc/75/06/63/1072750663.db2.gz GHWFACAHNPGJJN-PDGQHHTCSA-N -1 0 606.698 6.304 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409398467 1072752404 /nfs/dbraw/zinc/75/24/04/1072752404.db2.gz BBLADDIRPHVLQQ-UNOMPAQXSA-N -1 0 605.272 5.634 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(F)c1 ZINC000409401397 1072754037 /nfs/dbraw/zinc/75/40/37/1072754037.db2.gz XZVZREZNZQFIIM-UNOMPAQXSA-N -1 0 590.243 5.790 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000409406320 1072759237 /nfs/dbraw/zinc/75/92/37/1072759237.db2.gz BPWJEWKTYFFMEK-DFMPKFEDSA-N -1 0 613.218 5.200 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000409186965 1072760647 /nfs/dbraw/zinc/76/06/47/1072760647.db2.gz KFNZGLJYMJFZBM-LPYMAVHISA-N -1 0 616.331 6.021 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186155 1072764131 /nfs/dbraw/zinc/76/41/31/1072764131.db2.gz XUBXPUQVWSSRGF-NSUSTCFTSA-N -1 0 643.769 5.962 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=S)[n-]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186161 1072764567 /nfs/dbraw/zinc/76/45/67/1072764567.db2.gz XVSNCVFAGVZDIT-WPMSXZSSSA-N -1 0 717.873 5.604 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409404483 1072765745 /nfs/dbraw/zinc/76/57/45/1072765745.db2.gz DAXJSUSGSYWYSK-ODLFYWEKSA-N -1 0 558.226 5.261 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)cc(Br)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185727 1072769289 /nfs/dbraw/zinc/76/92/89/1072769289.db2.gz PDKDSQJSMOAMPG-VRKORRMZSA-N -1 0 677.020 7.201 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185500 1072769775 /nfs/dbraw/zinc/76/97/75/1072769775.db2.gz MBTIEVUZOOFWFT-AMOHQIIPSA-N -1 0 768.471 7.153 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)c1 ZINC000409185027 1072774055 /nfs/dbraw/zinc/77/40/55/1072774055.db2.gz PSSXDGGXBYXCBU-WSDLNYQXSA-N -1 0 584.264 6.074 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409184495 1072776316 /nfs/dbraw/zinc/77/63/16/1072776316.db2.gz LKWUJWSLFHIEEO-LICLKQGHSA-N -1 0 625.100 6.764 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184343 1072777220 /nfs/dbraw/zinc/77/72/20/1072777220.db2.gz GEYOHUFKHXATER-WLNVPOHISA-N -1 0 700.611 6.306 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183742 1072780307 /nfs/dbraw/zinc/78/03/07/1072780307.db2.gz SISUWFFHWSECJW-RQBSVBTHSA-N -1 0 811.154 8.773 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1C ZINC000409401502 1072781574 /nfs/dbraw/zinc/78/15/74/1072781574.db2.gz YUHLPGWXOUVHHE-PDGQHHTCSA-N -1 0 615.278 5.008 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409400944 1072783821 /nfs/dbraw/zinc/78/38/21/1072783821.db2.gz WDXMBBLTCFRDKO-ZDLGFXPLSA-N -1 0 596.692 6.848 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183348 1072783861 /nfs/dbraw/zinc/78/38/61/1072783861.db2.gz BKWGWAPFJSABMU-NFSMCZRPSA-N -1 0 735.056 6.959 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409400945 1072783954 /nfs/dbraw/zinc/78/39/54/1072783954.db2.gz WEENTUCILXVGQA-UNOMPAQXSA-N -1 0 588.817 5.119 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409400948 1072783983 /nfs/dbraw/zinc/78/39/83/1072783983.db2.gz WHJWJTFALPLJQW-ZDLGFXPLSA-N -1 0 656.645 5.590 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182509 1072790155 /nfs/dbraw/zinc/79/01/55/1072790155.db2.gz LZHNMNGKNUVBOF-RQBSVBTHSA-N -1 0 949.605 8.566 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181806 1072795514 /nfs/dbraw/zinc/79/55/14/1072795514.db2.gz FJGFLBRZPFAFJW-DGWBYFALSA-N -1 0 867.762 8.360 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl ZINC000409410246 1072806003 /nfs/dbraw/zinc/80/60/03/1072806003.db2.gz UHUSVGOZDWZHPT-RQZCQDPDSA-N -1 0 611.073 6.199 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409410175 1072807450 /nfs/dbraw/zinc/80/74/50/1072807450.db2.gz ZWXYWDZSFMKEFD-ODLFYWEKSA-N -1 0 513.775 5.152 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409409457 1072809918 /nfs/dbraw/zinc/80/99/18/1072809918.db2.gz VKPNIBVXGBQLKR-UNOMPAQXSA-N -1 0 574.802 5.384 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409408556 1072815816 /nfs/dbraw/zinc/81/58/16/1072815816.db2.gz RFJDXWMGYKLEAZ-IWIPYMOSSA-N -1 0 590.417 5.884 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409195101 1072839583 /nfs/dbraw/zinc/83/95/83/1072839583.db2.gz TTYWUNUTVCMLQY-PCLIKHOPSA-N -1 0 593.076 6.167 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1OCC ZINC000409195085 1072839636 /nfs/dbraw/zinc/83/96/36/1072839636.db2.gz RFJLTIDCXISQLC-XYGWBWBKSA-N -1 0 593.474 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409194625 1072842442 /nfs/dbraw/zinc/84/24/42/1072842442.db2.gz QHSKKRXKHCXYGU-BUVRLJJBSA-N -1 0 686.397 6.949 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409194519 1072843719 /nfs/dbraw/zinc/84/37/19/1072843719.db2.gz ONEUTGLKMWXSFF-OEAKJJBVSA-N -1 0 662.364 7.184 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194017 1072846675 /nfs/dbraw/zinc/84/66/75/1072846675.db2.gz MKVOPCSASGTKGN-HZHRSRAPSA-N -1 0 643.114 5.356 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000409194070 1072847026 /nfs/dbraw/zinc/84/70/26/1072847026.db2.gz NBIHVBQOGVZDJX-KOEQRZSOSA-N -1 0 514.578 5.115 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409192132 1072857790 /nfs/dbraw/zinc/85/77/90/1072857790.db2.gz ATIBRFDEEHZECJ-LPYMAVHISA-N -1 0 672.370 6.640 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409192016 1072858841 /nfs/dbraw/zinc/85/88/41/1072858841.db2.gz SIVIFQXEIRPDHX-WSDLNYQXSA-N -1 0 617.913 7.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409191606 1072862271 /nfs/dbraw/zinc/86/22/71/1072862271.db2.gz JALUEDJMPNLBCI-DEDYPNTBSA-N -1 0 589.483 5.486 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)cc1 ZINC000409191015 1072866897 /nfs/dbraw/zinc/86/68/97/1072866897.db2.gz YLFORNZNUFTUQL-LPYMAVHISA-N -1 0 600.263 5.856 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190444 1072870881 /nfs/dbraw/zinc/87/08/81/1072870881.db2.gz NMUQPOIVLRLOTE-ZVHZXABRSA-N -1 0 655.517 6.415 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189935 1072873202 /nfs/dbraw/zinc/87/32/02/1072873202.db2.gz NWUVHOVICHYFQL-HZHRSRAPSA-N -1 0 687.565 5.465 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189843 1072874386 /nfs/dbraw/zinc/87/43/86/1072874386.db2.gz UEOSLYNIRASSJA-BUVRLJJBSA-N -1 0 748.592 5.616 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189009 1072878736 /nfs/dbraw/zinc/87/87/36/1072878736.db2.gz MSSNRYTVFNROLZ-YDZHTSKRSA-N -1 0 749.396 6.491 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)[N-]C1=S ZINC000409188449 1072882443 /nfs/dbraw/zinc/88/24/43/1072882443.db2.gz ZGFNRRWHXHZIIL-RGVLZGJSSA-N -1 0 665.201 6.693 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409187909 1072884576 /nfs/dbraw/zinc/88/45/76/1072884576.db2.gz CWWQYZJERZVRCL-YDZHTSKRSA-N -1 0 613.494 6.431 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000409187711 1072885345 /nfs/dbraw/zinc/88/53/45/1072885345.db2.gz AVKBJSZUAICABL-XDHOZWIPSA-N -1 0 575.456 5.096 40 10 KKCBRM Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409214161 1072953741 /nfs/dbraw/zinc/95/37/41/1072953741.db2.gz WQOPUBGEKMJLSJ-UHFFFAOYSA-N -1 0 521.598 5.541 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409227164 1072971160 /nfs/dbraw/zinc/97/11/60/1072971160.db2.gz STVYTEVYZDPLOT-OEAKJJBVSA-N -1 0 666.525 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226869 1072972498 /nfs/dbraw/zinc/97/24/98/1072972498.db2.gz WHPUHBOUUXNRTK-RGVLZGJSSA-N -1 0 663.827 5.166 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409225360 1072978296 /nfs/dbraw/zinc/97/82/96/1072978296.db2.gz PHAPPKRFHQWJFY-RGVLZGJSSA-N -1 0 677.733 5.948 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222323 1072993853 /nfs/dbraw/zinc/99/38/53/1072993853.db2.gz CKJTWSRCBPFLAA-OGLMXYFKSA-N -1 0 684.543 6.419 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409222343 1072993946 /nfs/dbraw/zinc/99/39/46/1072993946.db2.gz BWTXJCKYFPNBCL-VXLYETTFSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1Cl ZINC000409222267 1072994970 /nfs/dbraw/zinc/99/49/70/1072994970.db2.gz BYTICCLKKKMPCG-VXLYETTFSA-N -1 0 603.256 5.748 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222081 1072996118 /nfs/dbraw/zinc/99/61/18/1072996118.db2.gz AODKFWFVUOQDMM-WSDLNYQXSA-N -1 0 673.891 5.644 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409221494 1072999103 /nfs/dbraw/zinc/99/91/03/1072999103.db2.gz RDAWROSQAZEJTQ-NVMNQCDNSA-N -1 0 555.461 5.004 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[N-]C2=S)cc1 ZINC000409220809 1073003315 /nfs/dbraw/zinc/00/33/15/1073003315.db2.gz GCZFRUVVQPJTSD-UNOMPAQXSA-N -1 0 540.395 5.572 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409220256 1073004789 /nfs/dbraw/zinc/00/47/89/1073004789.db2.gz ZZTVMQURYAICOX-VXLYETTFSA-N -1 0 647.309 6.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409220242 1073004822 /nfs/dbraw/zinc/00/48/22/1073004822.db2.gz ZVNKYKHMVJAING-KEBDBYFISA-N -1 0 633.282 5.839 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409220188 1073005964 /nfs/dbraw/zinc/00/59/64/1073005964.db2.gz YZMUJJCNEIUAOV-GIJQJNRQSA-N -1 0 588.831 5.648 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409219233 1073008675 /nfs/dbraw/zinc/00/86/75/1073008675.db2.gz KJFOJWMNFVUVJO-SRZZPIQSSA-N -1 0 612.864 5.494 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219321 1073009255 /nfs/dbraw/zinc/00/92/55/1073009255.db2.gz LFKIMVCMVMTBQJ-DJKKODMXSA-N -1 0 680.282 5.599 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409219026 1073010725 /nfs/dbraw/zinc/01/07/25/1073010725.db2.gz MLLAKUQEMDNJMR-CIAFOILYSA-N -1 0 612.466 5.783 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409229898 1073017153 /nfs/dbraw/zinc/01/71/53/1073017153.db2.gz VWKAGCGRADISAQ-MFOYZWKCSA-N -1 0 574.986 5.061 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409229314 1073021101 /nfs/dbraw/zinc/02/11/01/1073021101.db2.gz NBAMFBFTNXYHDO-OEAKJJBVSA-N -1 0 543.048 5.382 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409228005 1073028958 /nfs/dbraw/zinc/02/89/58/1073028958.db2.gz ZBCMXNSRCHQJJM-QGMBQPNBSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409227592 1073031114 /nfs/dbraw/zinc/03/11/14/1073031114.db2.gz QMTZLONMOJXWPQ-MUFRIFMGSA-N -1 0 618.586 7.935 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409237176 1073032657 /nfs/dbraw/zinc/03/26/57/1073032657.db2.gz JVJADEVKSZKYKF-WSDLNYQXSA-N -1 0 566.536 5.269 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409235029 1073046368 /nfs/dbraw/zinc/04/63/68/1073046368.db2.gz NPFLJVUIMIIEIC-MHWRWJLKSA-N -1 0 511.308 6.104 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409233342 1073056825 /nfs/dbraw/zinc/05/68/25/1073056825.db2.gz FRBLWACHDZURSO-YBFXNURJSA-N -1 0 542.886 5.958 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409233296 1073057098 /nfs/dbraw/zinc/05/70/98/1073057098.db2.gz FHVOMWXKRLAALK-JAIQZWGSSA-N -1 0 609.411 5.857 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409233131 1073057474 /nfs/dbraw/zinc/05/74/74/1073057474.db2.gz QRRJARKJIQPQPE-JFLMPSFJSA-N -1 0 574.077 6.605 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)[N-]C2=S)cc1 ZINC000409232102 1073062741 /nfs/dbraw/zinc/06/27/41/1073062741.db2.gz GZKLEUMPZFUFRX-CPNJWEJPSA-N -1 0 511.397 5.248 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409247271 1073071253 /nfs/dbraw/zinc/07/12/53/1073071253.db2.gz LWVFDNHFJTYKMK-UVTDQMKNSA-N -1 0 532.759 5.102 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409247022 1073072407 /nfs/dbraw/zinc/07/24/07/1073072407.db2.gz FWGGPNHHMNSCEB-HYARGMPZSA-N -1 0 529.021 5.073 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409246812 1073073240 /nfs/dbraw/zinc/07/32/40/1073073240.db2.gz DVCITAGDMGZQCH-YQYKVWLJSA-N -1 0 646.610 8.529 40 10 KKCBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409245668 1073081907 /nfs/dbraw/zinc/08/19/07/1073081907.db2.gz XHMZYOBQTPXLIS-OVCLIPMQSA-N -1 0 523.836 5.040 40 10 KKCBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000409244901 1073087309 /nfs/dbraw/zinc/08/73/09/1073087309.db2.gz KFFZLVBXCKTLBJ-LQKURTRISA-N -1 0 539.676 5.820 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409243262 1073093937 /nfs/dbraw/zinc/09/39/37/1073093937.db2.gz RIJVGCBMFRSWJD-CVKSISIWSA-N -1 0 536.056 6.636 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409240277 1073108876 /nfs/dbraw/zinc/10/88/76/1073108876.db2.gz PIFRWBIHKBGTMZ-NTCAYCPXSA-N -1 0 515.747 5.428 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C1=O ZINC000409240497 1073108972 /nfs/dbraw/zinc/10/89/72/1073108972.db2.gz UDMWDYGSSWERFU-DIBXZPPDSA-N -1 0 636.933 8.202 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409239863 1073111927 /nfs/dbraw/zinc/11/19/27/1073111927.db2.gz RDHUUSMXLLYVNO-HYARGMPZSA-N -1 0 574.018 5.674 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O ZINC000409238905 1073118391 /nfs/dbraw/zinc/11/83/91/1073118391.db2.gz MCFGYPGVKRFCLI-NCELDCMTSA-N -1 0 608.720 6.352 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409237548 1073126431 /nfs/dbraw/zinc/12/64/31/1073126431.db2.gz XIXWCRHKVJHVLC-VAMRJTSQSA-N -1 0 567.714 7.766 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409251458 1073128726 /nfs/dbraw/zinc/12/87/26/1073128726.db2.gz QFUCAXMVZVQULO-NVNXTCNLSA-N -1 0 700.700 5.944 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1C ZINC000409251473 1073128730 /nfs/dbraw/zinc/12/87/30/1073128730.db2.gz QKLVEMCJPFYYJT-UCQKPKSFSA-N -1 0 531.996 5.258 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409251263 1073129416 /nfs/dbraw/zinc/12/94/16/1073129416.db2.gz PCQLETPKEBRJIK-HZHRSRAPSA-N -1 0 592.446 5.149 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 ZINC000409251310 1073129973 /nfs/dbraw/zinc/12/99/73/1073129973.db2.gz PKFWDOCXVQAYFI-SRZZPIQSSA-N -1 0 657.315 5.521 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c(C)c1 ZINC000409251177 1073131878 /nfs/dbraw/zinc/13/18/78/1073131878.db2.gz ZYTHSDGIBXURBS-CIAFOILYSA-N -1 0 541.551 5.039 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c3ccccc32)cc1 ZINC000409250873 1073133304 /nfs/dbraw/zinc/13/33/04/1073133304.db2.gz OMCCIVMEIIALJG-WGOQTCKBSA-N -1 0 536.657 5.543 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)C2=O)cc1OCC ZINC000409250875 1073133354 /nfs/dbraw/zinc/13/33/54/1073133354.db2.gz NDSYGIJKKUYRPV-KOEQRZSOSA-N -1 0 571.630 5.175 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1C ZINC000409249977 1073139198 /nfs/dbraw/zinc/13/91/98/1073139198.db2.gz KOHHRMFSEGJOCP-UFFVCSGVSA-N -1 0 661.734 6.166 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409249441 1073141281 /nfs/dbraw/zinc/14/12/81/1073141281.db2.gz IISLTMCGPHIKAR-DJKKODMXSA-N -1 0 572.376 5.133 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409249419 1073143254 /nfs/dbraw/zinc/14/32/54/1073143254.db2.gz IDBJUVFRNCMDJO-LSCVHKIXSA-N -1 0 637.303 6.691 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409248860 1073145255 /nfs/dbraw/zinc/14/52/55/1073145255.db2.gz RTIQPHYDVFXFSE-OEAKJJBVSA-N -1 0 502.596 5.265 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409248684 1073147505 /nfs/dbraw/zinc/14/75/05/1073147505.db2.gz FISPCTDBNVBJSJ-WQRHYEAKSA-N -1 0 633.282 5.839 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409248318 1073149288 /nfs/dbraw/zinc/14/92/88/1073149288.db2.gz PNJKLAJYRHWLEN-KOEQRZSOSA-N -1 0 542.060 6.158 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)[N-]C1=S ZINC000409247622 1073153726 /nfs/dbraw/zinc/15/37/26/1073153726.db2.gz DUNUNGBLDPAYOZ-YZSQISJMSA-N -1 0 501.611 5.983 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409256966 1073159033 /nfs/dbraw/zinc/15/90/33/1073159033.db2.gz NACBRJSJOBKCCB-NHDPSOOVSA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1C ZINC000409257003 1073159488 /nfs/dbraw/zinc/15/94/88/1073159488.db2.gz RAPSIYUTOIPEBY-VEILYXNESA-N -1 0 610.066 6.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409256793 1073159822 /nfs/dbraw/zinc/15/98/22/1073159822.db2.gz NGGKBDIGKBTAST-LPYMAVHISA-N -1 0 622.472 5.157 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000409256344 1073161445 /nfs/dbraw/zinc/16/14/45/1073161445.db2.gz NWJQKLNVEJUAPG-VXLYETTFSA-N -1 0 603.256 5.748 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409255920 1073164377 /nfs/dbraw/zinc/16/43/77/1073164377.db2.gz LYXLJHIVXBKWPM-ZDLGFXPLSA-N -1 0 694.309 5.989 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1 ZINC000409255984 1073164899 /nfs/dbraw/zinc/16/48/99/1073164899.db2.gz NAMGAVOEFPMYHW-GRSHGNNSSA-N -1 0 572.832 5.948 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409255836 1073165847 /nfs/dbraw/zinc/16/58/47/1073165847.db2.gz JBWLTLLGKQWEPA-YVLHZVERSA-N -1 0 619.255 5.448 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409255500 1073167157 /nfs/dbraw/zinc/16/71/57/1073167157.db2.gz LDAQIEIWIVKDJY-SRZZPIQSSA-N -1 0 640.918 6.110 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1C ZINC000409255493 1073167279 /nfs/dbraw/zinc/16/72/79/1073167279.db2.gz LCCCLPMQDRSYBB-VXLYETTFSA-N -1 0 617.283 6.057 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000409254717 1073170429 /nfs/dbraw/zinc/17/04/29/1073170429.db2.gz FMPMEZHUMDMKQD-LPYMAVHISA-N -1 0 657.315 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254427 1073172975 /nfs/dbraw/zinc/17/29/75/1073172975.db2.gz DPTSJNKIPDTDDB-AWQFTUOYSA-N -1 0 708.336 6.297 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409254264 1073173590 /nfs/dbraw/zinc/17/35/90/1073173590.db2.gz WRWCCOCFKBIRSE-JMIUGGIZSA-N -1 0 672.286 5.421 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409254522 1073173852 /nfs/dbraw/zinc/17/38/52/1073173852.db2.gz DZALWGNVFODLCR-UYRXBGFRSA-N -1 0 598.439 5.475 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409254199 1073175836 /nfs/dbraw/zinc/17/58/36/1073175836.db2.gz VYUHLUMKYOOPLB-LFVJCYFKSA-N -1 0 576.505 6.811 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409253846 1073177538 /nfs/dbraw/zinc/17/75/38/1073177538.db2.gz CBSQLUGVLGTDPK-YVLHZVERSA-N -1 0 602.814 5.117 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1OC ZINC000409253806 1073179671 /nfs/dbraw/zinc/17/96/71/1073179671.db2.gz CDTHVCHNYWVYMC-XKZIYDEJSA-N -1 0 666.525 5.556 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000409253527 1073179725 /nfs/dbraw/zinc/17/97/25/1073179725.db2.gz ZJZXMMXRXDMIPU-NLRVBDNBSA-N -1 0 553.590 5.877 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409253259 1073181673 /nfs/dbraw/zinc/18/16/73/1073181673.db2.gz ZIEKWDPJDCBYRB-ZMOGYAJESA-N -1 0 651.579 6.553 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC ZINC000409252132 1073189200 /nfs/dbraw/zinc/18/92/00/1073189200.db2.gz QRSOJWXYPVDDLH-HAHDFKILSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409252020 1073190530 /nfs/dbraw/zinc/19/05/30/1073190530.db2.gz BENKHLWMIOLYRB-PDGQHHTCSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409251883 1073191398 /nfs/dbraw/zinc/19/13/98/1073191398.db2.gz AEBXXFCWSXAMHD-VXLYETTFSA-N -1 0 556.377 5.433 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409262875 1073195257 /nfs/dbraw/zinc/19/52/57/1073195257.db2.gz GAPHOCFYKPHWGF-ODLFYWEKSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409262956 1073195815 /nfs/dbraw/zinc/19/58/15/1073195815.db2.gz KVIPFBJSUICKHD-SRZZPIQSSA-N -1 0 640.918 6.110 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1OC ZINC000409266989 1073197544 /nfs/dbraw/zinc/19/75/44/1073197544.db2.gz ZQGSLHFGSPBSPI-BKUYFWCQSA-N -1 0 652.498 5.247 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266975 1073197590 /nfs/dbraw/zinc/19/75/90/1073197590.db2.gz ZLICTGYKUBVVJU-SRZZPIQSSA-N -1 0 598.439 5.393 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409267021 1073197978 /nfs/dbraw/zinc/19/79/78/1073197978.db2.gz RIYOPMPLYWRCRH-MTJSOVHGSA-N -1 0 685.325 5.299 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OCC ZINC000409266845 1073198506 /nfs/dbraw/zinc/19/85/06/1073198506.db2.gz YSYFOHLSDDJSNW-LTGZKZEYSA-N -1 0 578.021 5.211 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409266691 1073199691 /nfs/dbraw/zinc/19/96/91/1073199691.db2.gz KWCMQHLYRADCIA-HYARGMPZSA-N -1 0 592.446 5.149 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409266504 1073202308 /nfs/dbraw/zinc/20/23/08/1073202308.db2.gz XITSTHPGGIWYKT-VCHYOVAHSA-N -1 0 633.282 5.839 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409266133 1073203662 /nfs/dbraw/zinc/20/36/62/1073203662.db2.gz OWKQLSTYTINJKN-UUYOSTAYSA-N -1 0 673.891 5.644 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409266020 1073204340 /nfs/dbraw/zinc/20/43/40/1073204340.db2.gz VTCSCJDVDWTFSA-PKAZHMFMSA-N -1 0 731.543 6.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409265823 1073205286 /nfs/dbraw/zinc/20/52/86/1073205286.db2.gz VXFHTPWAINVGDU-VCHYOVAHSA-N -1 0 647.309 6.147 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409265924 1073205641 /nfs/dbraw/zinc/20/56/41/1073205641.db2.gz WWZVSFNRWHKEMA-MFKUBSTISA-N -1 0 650.128 6.227 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409265764 1073206133 /nfs/dbraw/zinc/20/61/33/1073206133.db2.gz OTUWTMGDXXBPKQ-ODLFYWEKSA-N -1 0 582.440 5.611 40 10 KKCBRM CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1Cl ZINC000033851116 1073208416 /nfs/dbraw/zinc/20/84/16/1073208416.db2.gz WZMCYMCNNYJVNA-UDWIEESQSA-N -1 0 514.028 5.267 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265125 1073208367 /nfs/dbraw/zinc/20/83/67/1073208367.db2.gz MUPQRMOUEZOYJP-CIAFOILYSA-N -1 0 612.864 5.494 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c(C)c1 ZINC000409264931 1073209183 /nfs/dbraw/zinc/20/91/83/1073209183.db2.gz MWWDMNYPKDXENV-XKZIYDEJSA-N -1 0 576.447 5.367 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409264968 1073209312 /nfs/dbraw/zinc/20/93/12/1073209312.db2.gz LYXKQTSWRQTULX-QQXSKIMKSA-N -1 0 670.516 6.029 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409265024 1073209688 /nfs/dbraw/zinc/20/96/88/1073209688.db2.gz NHYPHWKLCFNLBV-MTJSOVHGSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409264981 1073209717 /nfs/dbraw/zinc/20/97/17/1073209717.db2.gz MBBMOPBWPCUAIP-BKUYFWCQSA-N -1 0 592.446 5.149 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C ZINC000409264770 1073210066 /nfs/dbraw/zinc/21/00/66/1073210066.db2.gz RWGBHSQSZQSBGI-WSDLNYQXSA-N -1 0 596.865 5.712 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409264209 1073213295 /nfs/dbraw/zinc/21/32/95/1073213295.db2.gz NTVFWQBATPBYNO-MTJSOVHGSA-N -1 0 721.786 6.346 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000409264275 1073213565 /nfs/dbraw/zinc/21/35/65/1073213565.db2.gz OGNJMBNXMQEDAO-WSDLNYQXSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409264283 1073213620 /nfs/dbraw/zinc/21/36/20/1073213620.db2.gz OHZSKXCQLCYNJS-XDHOZWIPSA-N -1 0 568.811 5.095 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409264163 1073214679 /nfs/dbraw/zinc/21/46/79/1073214679.db2.gz NINKTPCJHXJHEJ-BOPFTXTBSA-N -1 0 602.858 6.038 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409263780 1073215874 /nfs/dbraw/zinc/21/58/74/1073215874.db2.gz MPSXYBHTKVQSIL-UNOMPAQXSA-N -1 0 721.786 6.346 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409263729 1073217264 /nfs/dbraw/zinc/21/72/64/1073217264.db2.gz NWEBJHYAGNOEQY-LICLKQGHSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)C1=O ZINC000409263540 1073217639 /nfs/dbraw/zinc/21/76/39/1073217639.db2.gz HNJHEJXNIMRUEB-GIJQJNRQSA-N -1 0 647.707 5.857 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409263257 1073219230 /nfs/dbraw/zinc/21/92/30/1073219230.db2.gz KGEBLNABFJTLDC-DICXZTSXSA-N -1 0 765.988 6.915 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409263051 1073219661 /nfs/dbraw/zinc/21/96/61/1073219661.db2.gz KBZPJHOXJRXTJK-LPYMAVHISA-N -1 0 562.022 5.348 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1 ZINC000409262716 1073220043 /nfs/dbraw/zinc/22/00/43/1073220043.db2.gz IUECABFKDDPYRE-CIAFOILYSA-N -1 0 582.440 5.693 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000409261737 1073225364 /nfs/dbraw/zinc/22/53/64/1073225364.db2.gz DDMNZCKRFLDVAN-WSDLNYQXSA-N -1 0 657.315 5.521 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409261828 1073225818 /nfs/dbraw/zinc/22/58/18/1073225818.db2.gz DINULBBLIVPOLB-PKAZHMFMSA-N -1 0 596.039 5.911 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000409261457 1073226952 /nfs/dbraw/zinc/22/69/52/1073226952.db2.gz CDNSDPOWXYTLHC-DEDYPNTBSA-N -1 0 642.890 5.584 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 ZINC000409261204 1073229170 /nfs/dbraw/zinc/22/91/70/1073229170.db2.gz AVGBOGDXHLXPCE-NVMNQCDNSA-N -1 0 696.179 6.819 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c1 ZINC000409261079 1073230341 /nfs/dbraw/zinc/23/03/41/1073230341.db2.gz AYISRZFTZNTQJX-XKZIYDEJSA-N -1 0 531.996 5.258 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409261109 1073230354 /nfs/dbraw/zinc/23/03/54/1073230354.db2.gz BFGOEKRHWYNTTL-RGVLZGJSSA-N -1 0 706.185 6.275 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409260958 1073231478 /nfs/dbraw/zinc/23/14/78/1073231478.db2.gz ZAVFBHAALDOAMI-MFOYZWKCSA-N -1 0 682.152 6.511 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000409260710 1073231539 /nfs/dbraw/zinc/23/15/39/1073231539.db2.gz VCLMMPIADZJYGK-OEAKJJBVSA-N -1 0 626.493 6.173 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409260569 1073232691 /nfs/dbraw/zinc/23/26/91/1073232691.db2.gz SFPRXYHSUMMDKE-CIAFOILYSA-N -1 0 610.436 5.288 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1OC ZINC000409259335 1073241069 /nfs/dbraw/zinc/24/10/69/1073241069.db2.gz YLLWIKFTCPVUHR-MTJSOVHGSA-N -1 0 626.493 6.092 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1OCC ZINC000409258937 1073242371 /nfs/dbraw/zinc/24/23/71/1073242371.db2.gz WDMRMHNXELAFHJ-HZHRSRAPSA-N -1 0 650.526 5.937 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)c1 ZINC000409258875 1073243383 /nfs/dbraw/zinc/24/33/83/1073243383.db2.gz WGTNPJAONQVWCZ-NDENLUEZSA-N -1 0 643.357 5.677 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409258514 1073244667 /nfs/dbraw/zinc/24/46/67/1073244667.db2.gz XGYUIRISRFXVSS-LPYMAVHISA-N -1 0 612.864 5.494 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409258046 1073247175 /nfs/dbraw/zinc/24/71/75/1073247175.db2.gz SWFLIRLZWQSEOF-NDENLUEZSA-N -1 0 598.439 5.475 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1C ZINC000409257753 1073249122 /nfs/dbraw/zinc/24/91/22/1073249122.db2.gz SBYVVQOYLRSCPB-YSMPRRRNSA-N -1 0 733.413 7.091 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409258041 1073249259 /nfs/dbraw/zinc/24/92/59/1073249259.db2.gz VWNIHLNOJGXFLQ-KEBDBYFISA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1 ZINC000409257661 1073250439 /nfs/dbraw/zinc/25/04/39/1073250439.db2.gz UAQZFSNBMOQTQF-OCKHKDLRSA-N -1 0 658.259 5.112 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409257741 1073250921 /nfs/dbraw/zinc/25/09/21/1073250921.db2.gz UQIDVVASSBPWNY-VCHYOVAHSA-N -1 0 678.131 5.658 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OCC ZINC000409257738 1073250962 /nfs/dbraw/zinc/25/09/62/1073250962.db2.gz UQHMWCQYUIBODG-BUVRLJJBSA-N -1 0 741.579 6.178 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1C ZINC000409272438 1073255640 /nfs/dbraw/zinc/25/56/40/1073255640.db2.gz QHLBKCKSHZIYDF-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409272459 1073255780 /nfs/dbraw/zinc/25/57/80/1073255780.db2.gz QKKLORCGPCNHBF-CIAFOILYSA-N -1 0 671.342 5.911 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409272096 1073257774 /nfs/dbraw/zinc/25/77/74/1073257774.db2.gz ONLJVPBOWXBNAB-HZHRSRAPSA-N -1 0 713.525 5.561 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409271500 1073262300 /nfs/dbraw/zinc/26/23/00/1073262300.db2.gz LQWKYRXOPUKHLI-ODLFYWEKSA-N -1 0 612.864 5.412 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409270974 1073266471 /nfs/dbraw/zinc/26/64/71/1073266471.db2.gz SJHHVSGQHYJVSZ-JAIQZWGSSA-N -1 0 659.864 5.336 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409270109 1073272563 /nfs/dbraw/zinc/27/25/63/1073272563.db2.gz CFZUSSNAATXNPK-DHDCSXOGSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000409269681 1073276080 /nfs/dbraw/zinc/27/60/80/1073276080.db2.gz LPDXGGVUSQGVNY-KEBDBYFISA-N -1 0 617.283 6.057 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409269545 1073276428 /nfs/dbraw/zinc/27/64/28/1073276428.db2.gz KCTRRVDAWOAAIW-JAIQZWGSSA-N -1 0 659.864 5.254 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409269441 1073276746 /nfs/dbraw/zinc/27/67/46/1073276746.db2.gz JPYVQXFAJPZLMX-XDHOZWIPSA-N -1 0 646.911 6.518 40 10 KKCBRM Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1 ZINC000409269301 1073278256 /nfs/dbraw/zinc/27/82/56/1073278256.db2.gz AXIYGLHDSWCHBW-SRZZPIQSSA-N -1 0 510.955 5.590 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409269218 1073279430 /nfs/dbraw/zinc/27/94/30/1073279430.db2.gz HFUUAGGLTKAZIT-ZDLGFXPLSA-N -1 0 544.778 5.331 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409269021 1073280059 /nfs/dbraw/zinc/28/00/59/1073280059.db2.gz CYDZIKDWRMUPPI-GRSHGNNSSA-N -1 0 616.885 6.346 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1 ZINC000409268474 1073283948 /nfs/dbraw/zinc/28/39/48/1073283948.db2.gz UGIXHXNFTQEHOT-OEAKJJBVSA-N -1 0 592.048 5.438 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409268021 1073286322 /nfs/dbraw/zinc/28/63/22/1073286322.db2.gz YUDXCELMPIYAFL-QRQIAZFYSA-N -1 0 654.119 6.618 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1OCC ZINC000409268028 1073286380 /nfs/dbraw/zinc/28/63/80/1073286380.db2.gz YVTPBKUOWVVXKG-LPYMAVHISA-N -1 0 729.422 6.700 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409267738 1073287901 /nfs/dbraw/zinc/28/79/01/1073287901.db2.gz OTLMOXYJCXLPCM-ODLFYWEKSA-N -1 0 629.330 5.369 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409272941 1073320745 /nfs/dbraw/zinc/32/07/45/1073320745.db2.gz ULNFRGJSMWZINM-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409272843 1073336036 /nfs/dbraw/zinc/33/60/36/1073336036.db2.gz SUYYGFZUNOKHRG-NVMNQCDNSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409272835 1073336190 /nfs/dbraw/zinc/33/61/90/1073336190.db2.gz SSPBXBVODYZCPH-VCHYOVAHSA-N -1 0 692.158 5.966 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059198132 193890861 /nfs/dbraw/zinc/89/08/61/193890861.db2.gz SBCHIGRMHHKNNW-NDENLUEZSA-N -1 0 509.316 5.272 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000001297060 551637694 /nfs/dbraw/zinc/63/76/94/551637694.db2.gz AOFNUNRSPLTCGO-LPYMAVHISA-N -1 0 534.797 6.612 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000001406521 551661872 /nfs/dbraw/zinc/66/18/72/551661872.db2.gz XIQMMLKSGAUSLM-IMRQLAEWSA-N -1 0 507.615 5.601 40 10 KKCBRM C[NH+](Cc1cc(Br)cc(Br)c1[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC000001681076 551688892 /nfs/dbraw/zinc/68/88/92/551688892.db2.gz GPUQTFCKYDVYTD-UHFFFAOYSA-N -1 0 558.890 5.780 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000001867500 551718334 /nfs/dbraw/zinc/71/83/34/551718334.db2.gz YIIOTGYPWJDOCL-SRZZPIQSSA-N -1 0 516.427 6.676 40 10 KKCBRM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000002225877 551796765 /nfs/dbraw/zinc/79/67/65/551796765.db2.gz UZDSJLDXBJFSMD-DZTFFZQKSA-N -1 0 512.009 7.363 40 10 KKCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000002700713 552159818 /nfs/dbraw/zinc/15/98/18/552159818.db2.gz VAOOLCNZPJSLCU-ZYNFKGNASA-N -1 0 500.941 5.535 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000002711535 552161022 /nfs/dbraw/zinc/16/10/22/552161022.db2.gz BQFGZYRJUIJDLJ-CHHVJCJISA-N -1 0 518.332 5.337 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000006474184 552592203 /nfs/dbraw/zinc/59/22/03/552592203.db2.gz GZTVWPSKXUQRPH-TURZUDJPSA-N -1 0 594.523 7.949 40 10 KKCBRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c(C)c1 ZINC000010112135 553328758 /nfs/dbraw/zinc/32/87/58/553328758.db2.gz LHZDOQCSEXHANG-UHFFFAOYSA-N -1 0 512.075 5.678 40 10 KKCBRM CCCC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cc(OCC)c(OC(C)C)cc1Br ZINC000013915584 553495803 /nfs/dbraw/zinc/49/58/03/553495803.db2.gz RKACMLGXUIANQJ-XDHOZWIPSA-N -1 0 515.404 5.920 40 10 KKCBRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1Cc1cccc(CNC(=O)OCc2ccccc2)c1 ZINC000014153021 553503079 /nfs/dbraw/zinc/50/30/79/553503079.db2.gz FOOPBRKSGRBWHW-UHFFFAOYSA-N -1 0 502.998 6.300 40 10 KKCBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)SC2=S)cc1 ZINC000016216687 553556841 /nfs/dbraw/zinc/55/68/41/553556841.db2.gz GOWBLKWDGFCODB-OYKKKHCWSA-N -1 0 521.616 5.382 40 10 KKCBRM Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)SC2=S)cc1 ZINC000016292270 553558976 /nfs/dbraw/zinc/55/89/76/553558976.db2.gz VOVQVGIUSUAKLX-QRVIBDJDSA-N -1 0 510.036 6.327 40 10 KKCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000016712295 553575024 /nfs/dbraw/zinc/57/50/24/553575024.db2.gz UEBMDVYCTCYUQY-XLXASQRYSA-N -1 0 500.395 5.736 40 10 KKCBRM Nc1cc(N)c(NN=C2C=C([N+](=O)[O-])C=CC2=O)cc1N=Nc1cccc2c1cccc2S(=O)(=O)[O-] ZINC000017125363 553588415 /nfs/dbraw/zinc/58/84/15/553588415.db2.gz VMKWPUCCYMSOEA-LYJPHZJBSA-N -1 0 507.488 5.696 40 10 KKCBRM COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1Sc1ccccc1 ZINC000020287588 553633023 /nfs/dbraw/zinc/63/30/23/553633023.db2.gz HMOQORBNJYCIMD-UQQQWYQISA-N -1 0 502.552 5.398 40 10 KKCBRM COc1ccccc1N1C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[N-]C1=S ZINC000096835854 553757612 /nfs/dbraw/zinc/75/76/12/553757612.db2.gz YJQIKHABRFZXLJ-KOEQRZSOSA-N -1 0 517.610 6.523 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097957966 553850186 /nfs/dbraw/zinc/85/01/86/553850186.db2.gz SIXRRSZLIKLCDZ-LGUFXXKBSA-N -1 0 542.632 6.656 40 10 KKCBRM CCc1cc(C)cc(OCCOc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c1 ZINC000097959029 553859998 /nfs/dbraw/zinc/85/99/98/553859998.db2.gz ARVUZNSZNGDGIU-UQQQWYQISA-N -1 0 579.447 6.293 40 10 KKCBRM Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)cc1 ZINC000033687491 553968292 /nfs/dbraw/zinc/96/82/92/553968292.db2.gz XCTBTPXRNMSJHZ-OEAKJJBVSA-N -1 0 514.379 6.267 40 10 KKCBRM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4c(Br)cc([N+](=O)[O-])cc4Br)o3)C2=O)cc1Cl ZINC000100105749 554220608 /nfs/dbraw/zinc/22/06/08/554220608.db2.gz DQXQUUUWTCVJOY-NTEUORMPSA-N -1 0 581.604 5.803 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)c1 ZINC000100110896 554221607 /nfs/dbraw/zinc/22/16/07/554221607.db2.gz CARMDVVGMBBUTB-RGVLZGJSSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100227748 554253767 /nfs/dbraw/zinc/25/37/67/554253767.db2.gz BPIWIYHNYMDQSS-NDENLUEZSA-N -1 0 602.812 5.589 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000100230297 554256174 /nfs/dbraw/zinc/25/61/74/554256174.db2.gz BXDKJKYZZDAZDA-UDWIEESQSA-N -1 0 569.383 5.241 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230365 554256207 /nfs/dbraw/zinc/25/62/07/554256207.db2.gz WGRODCYIWMRCSO-GRSHGNNSSA-N -1 0 590.257 6.400 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100230375 554256248 /nfs/dbraw/zinc/25/62/48/554256248.db2.gz DVKUUAHMNOCUHV-NDENLUEZSA-N -1 0 566.364 5.001 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000100241298 554260562 /nfs/dbraw/zinc/26/05/62/554260562.db2.gz XPAYLIQDNQSAOO-XKZIYDEJSA-N -1 0 612.420 5.252 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1 ZINC000100313748 554302028 /nfs/dbraw/zinc/30/20/28/554302028.db2.gz ZTTNNXOPGFTIRH-DEDYPNTBSA-N -1 0 521.367 5.012 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100320637 554304796 /nfs/dbraw/zinc/30/47/96/554304796.db2.gz PPBJWMGYJDBWGV-QGMBQPNBSA-N -1 0 610.675 6.663 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000100320686 554305232 /nfs/dbraw/zinc/30/52/32/554305232.db2.gz ZOMZPAGAQFVWRZ-VCHYOVAHSA-N -1 0 559.775 5.496 40 10 KKCBRM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849438 554368805 /nfs/dbraw/zinc/36/88/05/554368805.db2.gz ZXWOEOIFOAWQFV-OREGWCPLSA-N -1 0 520.607 5.118 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)c1 ZINC000058849419 554368821 /nfs/dbraw/zinc/36/88/21/554368821.db2.gz AFTZIVWJONUMDE-BALWLHIASA-N -1 0 522.623 5.348 40 10 KKCBRM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849404 554368854 /nfs/dbraw/zinc/36/88/54/554368854.db2.gz ZLGDSTNUVYDEDY-SXDGJLEOSA-N -1 0 506.624 5.730 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058849628 554369080 /nfs/dbraw/zinc/36/90/80/554369080.db2.gz PEEYQOGZNIQZNE-ATLLOTDBSA-N -1 0 501.435 6.629 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1 ZINC000058849441 554369174 /nfs/dbraw/zinc/36/91/74/554369174.db2.gz GKMVAXBUFWGDOH-ANSQWYIGSA-N -1 0 507.568 5.239 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000059104521 554379732 /nfs/dbraw/zinc/37/97/32/554379732.db2.gz IPJUCGHIVNHWOM-DJKKODMXSA-N -1 0 520.925 5.471 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)c1 ZINC000059104757 554380070 /nfs/dbraw/zinc/38/00/70/554380070.db2.gz MCPCBFQAGXGOFV-WOJGMQOQSA-N -1 0 516.978 5.830 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)c1C)CCCC2 ZINC000059109496 554381012 /nfs/dbraw/zinc/38/10/12/554381012.db2.gz VSYWWAYSTMAUMN-KGENOOAVSA-N -1 0 517.607 5.323 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059135275 554381278 /nfs/dbraw/zinc/38/12/78/554381278.db2.gz MEZQAFBLINOZLO-FYJGNVAPSA-N -1 0 505.458 5.218 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000059135709 554381958 /nfs/dbraw/zinc/38/19/58/554381958.db2.gz JTPYVIUFFOGIBR-LFIBNONCSA-N -1 0 508.443 5.106 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000059136442 554382645 /nfs/dbraw/zinc/38/26/45/554382645.db2.gz TYYDHYFTOQYDSB-QGOAFFKASA-N -1 0 511.372 5.839 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139099 554383046 /nfs/dbraw/zinc/38/30/46/554383046.db2.gz KIPADYLKPLAPJO-KOEQRZSOSA-N -1 0 506.514 5.845 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139103 554383005 /nfs/dbraw/zinc/38/30/05/554383005.db2.gz DPSDGPLVVAATPX-KOEQRZSOSA-N -1 0 506.514 5.845 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000059198343 554384639 /nfs/dbraw/zinc/38/46/39/554384639.db2.gz OJCRULXTJJEUJV-KEBDBYFISA-N -1 0 509.316 5.272 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl ZINC000059198274 554384762 /nfs/dbraw/zinc/38/47/62/554384762.db2.gz GCYNHAARFWCFMY-CPNJWEJPSA-N -1 0 511.759 6.188 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000100448313 554395085 /nfs/dbraw/zinc/39/50/85/554395085.db2.gz NQBMLLGDJJUEGB-VIZOYTHASA-N -1 0 561.248 5.216 40 10 KKCBRM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000100931061 554527190 /nfs/dbraw/zinc/52/71/90/554527190.db2.gz REBQZFXJFZUHLO-PXLXIMEGSA-N -1 0 539.455 5.585 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000101451907 554775619 /nfs/dbraw/zinc/77/56/19/554775619.db2.gz SOHBSWOWDHTDPI-XDHOZWIPSA-N -1 0 541.785 5.357 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000101455322 554776956 /nfs/dbraw/zinc/77/69/56/554776956.db2.gz KUBOTPBBXLGZNK-PCLIKHOPSA-N -1 0 527.374 5.848 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000101500544 554788189 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/nfs/dbraw/zinc/55/34/29/571553429.db2.gz QJOCCEZRNWPPMM-FTJBHMTQSA-N -1 0 517.054 6.326 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224498186 571560708 /nfs/dbraw/zinc/56/07/08/571560708.db2.gz HJCLPFRVMUOECG-LOSJGSFVSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224498227 571560746 /nfs/dbraw/zinc/56/07/46/571560746.db2.gz HJCLPFRVMUOECG-DQEYMECFSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223898696 571570664 /nfs/dbraw/zinc/57/06/64/571570664.db2.gz RKMZNTPODPFUHO-KAYWLYCHSA-N -1 0 511.651 5.430 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223898792 571570715 /nfs/dbraw/zinc/57/07/15/571570715.db2.gz RKMZNTPODPFUHO-RRPNLBNLSA-N -1 0 511.651 5.430 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208235003 571573445 /nfs/dbraw/zinc/57/34/45/571573445.db2.gz QDBIVCCMLUTLAJ-SWEABUAFSA-N -1 0 502.467 5.855 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208242330 571573703 /nfs/dbraw/zinc/57/37/03/571573703.db2.gz RAIABIOOYSQSEJ-KMHUVPDISA-N -1 0 506.817 6.035 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208312185 571573832 /nfs/dbraw/zinc/57/38/32/571573832.db2.gz VRWPZRMUPCUABS-OOWUWCJESA-N -1 0 512.473 5.393 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208474824 571574430 /nfs/dbraw/zinc/57/44/30/571574430.db2.gz GRWDKFOTQNDYOZ-VCHYOVAHSA-N -1 0 514.807 5.401 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208474581 571574484 /nfs/dbraw/zinc/57/44/84/571574484.db2.gz YTICCSRJTNSOOO-VCHYOVAHSA-N -1 0 530.875 5.566 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208471303 571574495 /nfs/dbraw/zinc/57/44/95/571574495.db2.gz QILRRJHFPNJCBD-OQLLNIDSSA-N -1 0 504.801 5.945 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223977011 571587422 /nfs/dbraw/zinc/58/74/22/571587422.db2.gz YJFKFSVWIOJVMW-KAYWLYCHSA-N -1 0 525.634 5.323 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223980682 571588160 /nfs/dbraw/zinc/58/81/60/571588160.db2.gz GUDXNHZFUDEPBD-NSOVKSMOSA-N -1 0 539.661 5.631 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224639316 571592721 /nfs/dbraw/zinc/59/27/21/571592721.db2.gz KSSPHLVVNNICQX-IOWSJCHKSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224016325 571595765 /nfs/dbraw/zinc/59/57/65/571595765.db2.gz RJRVROIRXDNXNA-CLJLJLNGSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224672925 571600181 /nfs/dbraw/zinc/60/01/81/571600181.db2.gz ZDAFDMGDTSAGII-AJQTZOPKSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224672720 571600189 /nfs/dbraw/zinc/60/01/89/571600189.db2.gz ZXCQMXZVPWCBHJ-AJQTZOPKSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224676209 571601022 /nfs/dbraw/zinc/60/10/22/571601022.db2.gz JJCPAFVMAXINRU-JHOUSYSJSA-N -1 0 588.733 7.774 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224707272 571607240 /nfs/dbraw/zinc/60/72/40/571607240.db2.gz DVKWRZXHRJYRRL-ZWXJPIIXSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224094183 571609086 /nfs/dbraw/zinc/60/90/86/571609086.db2.gz HAYNYJDFGMBNIC-FQLXRVMXSA-N -1 0 567.715 6.267 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224775171 571615887 /nfs/dbraw/zinc/61/58/87/571615887.db2.gz FLVMBIKCDXRDAC-FIRIVFDPSA-N -1 0 621.744 7.424 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224844478 571622603 /nfs/dbraw/zinc/62/26/03/571622603.db2.gz JHYDWXBSCHEDFM-VSGBNLITSA-N -1 0 542.661 5.690 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224901082 571628262 /nfs/dbraw/zinc/62/82/62/571628262.db2.gz GSGFIASQVVAUIQ-FTJBHMTQSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224989123 571636829 /nfs/dbraw/zinc/63/68/29/571636829.db2.gz LHKMFHVXORZNDT-IOWSJCHKSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225046195 571641789 /nfs/dbraw/zinc/64/17/89/571641789.db2.gz QWWNJRMSKPSDRE-WUFINQPMSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225048739 571642086 /nfs/dbraw/zinc/64/20/86/571642086.db2.gz KOZJULNOKHEXII-WDYNHAJCSA-N -1 0 539.705 5.970 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225075130 571644540 /nfs/dbraw/zinc/64/45/40/571644540.db2.gz UIQZBGYCDKOLSL-CZNDPXEESA-N -1 0 617.731 6.382 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225077791 571644847 /nfs/dbraw/zinc/64/48/47/571644847.db2.gz PPNURUQYKGWKPT-SZAHLOSFSA-N -1 0 631.758 6.690 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225160081 571653267 /nfs/dbraw/zinc/65/32/67/571653267.db2.gz LLHBSAYXMXMZRU-URLMMPGGSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225160041 571653297 /nfs/dbraw/zinc/65/32/97/571653297.db2.gz LLHBSAYXMXMZRU-WDYNHAJCSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1OC ZINC000225191260 571656365 /nfs/dbraw/zinc/65/63/65/571656365.db2.gz WGDHILGUSZPFED-XZWHSSHBSA-N -1 0 583.714 6.030 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000225244559 571661977 /nfs/dbraw/zinc/66/19/77/571661977.db2.gz DIYGZSWHWUWRMS-IZLXSDGUSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225270669 571664952 /nfs/dbraw/zinc/66/49/52/571664952.db2.gz YDAZXDYBQZOHQY-VMPREFPWSA-N -1 0 569.687 5.258 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225346045 571705831 /nfs/dbraw/zinc/70/58/31/571705831.db2.gz JSCGTLGNVMHCOA-WUFINQPMSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225345821 571705839 /nfs/dbraw/zinc/70/58/39/571705839.db2.gz DINJOGPIUVWJSC-VSGBNLITSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225371920 571737343 /nfs/dbraw/zinc/73/73/43/571737343.db2.gz ZVOXFJXQNDGCKD-KYJUHHDHSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225374034 571739993 /nfs/dbraw/zinc/73/99/93/571739993.db2.gz KBXBWBMACNZYBZ-FIRIVFDPSA-N -1 0 566.727 6.994 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225455934 571827569 /nfs/dbraw/zinc/82/75/69/571827569.db2.gz FAQJDWHNVUOMHA-SVBPBHIXSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000260909879 571836442 /nfs/dbraw/zinc/83/64/42/571836442.db2.gz AKMMRKZJAKIHJN-HBFWWTAJSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000260909874 571836471 /nfs/dbraw/zinc/83/64/71/571836471.db2.gz AKMMRKZJAKIHJN-BAGWDXEUSA-N -1 0 614.215 7.500 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484050 571854682 /nfs/dbraw/zinc/85/46/82/571854682.db2.gz ACOCMVFRYPTQSK-NSOVKSMOSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225529757 571896741 /nfs/dbraw/zinc/89/67/41/571896741.db2.gz NJZOEHYQZCLMKS-VSGBNLITSA-N -1 0 539.661 5.189 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225551005 571913591 /nfs/dbraw/zinc/91/35/91/571913591.db2.gz FEOCSZRTYVKCCI-IHLOFXLRSA-N -1 0 567.715 5.751 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225574220 571934650 /nfs/dbraw/zinc/93/46/50/571934650.db2.gz RVBXHRVZZLAEAS-LOYHVIPDSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225592774 571948385 /nfs/dbraw/zinc/94/83/85/571948385.db2.gz BSUKIICAOPLKIW-IZLXSDGUSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225592978 571948719 /nfs/dbraw/zinc/94/87/19/571948719.db2.gz NUAOOEKOQMRPOP-NSOVKSMOSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225630922 571982817 /nfs/dbraw/zinc/98/28/17/571982817.db2.gz SUISYVZSWVDJJJ-XZWHSSHBSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225632800 571984635 /nfs/dbraw/zinc/98/46/35/571984635.db2.gz HBZPLHNWVNKPRK-CONSDPRKSA-N -1 0 581.742 6.114 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225648704 571997618 /nfs/dbraw/zinc/99/76/18/571997618.db2.gz FPDSSPJUEKGTJM-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225668191 572010255 /nfs/dbraw/zinc/01/02/55/572010255.db2.gz AUSPSXIZTYKFLJ-FQLXRVMXSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225688937 572024720 /nfs/dbraw/zinc/02/47/20/572024720.db2.gz VWIYHTWOEPRQBM-KYJUHHDHSA-N -1 0 567.715 5.805 40 10 KKCBRM COc1cc(N=Nc2ccc(N)cc2)c(C)cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-] ZINC000299888778 572142190 /nfs/dbraw/zinc/14/21/90/572142190.db2.gz XEOHZCPNNCIHDP-UHFFFAOYSA-N -1 0 506.544 6.104 40 10 KKCBRM CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C1=O)n(C)c(=O)n2C ZINC000408526542 572157542 /nfs/dbraw/zinc/15/75/42/572157542.db2.gz BKIDMIWIVJPOSN-PTGBLXJZSA-N -1 0 675.628 5.532 40 10 KKCBRM Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)c(N3CCCCC3)cc2n(C)c1=O ZINC000408526585 572157777 /nfs/dbraw/zinc/15/77/77/572157777.db2.gz BPJWADDJEKPGSO-LYBHJNIJSA-N -1 0 687.639 5.676 40 10 KKCBRM Cc1ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c(C)c1 ZINC000408527059 572159272 /nfs/dbraw/zinc/15/92/72/572159272.db2.gz DTCVOZVLCGCPTE-PXLXIMEGSA-N -1 0 591.506 5.822 40 10 KKCBRM COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408527303 572159608 /nfs/dbraw/zinc/15/96/08/572159608.db2.gz DHMGDRPXTXPMPG-ZXVVBBHZSA-N -1 0 719.658 6.614 40 10 KKCBRM Cc1ccccc1NNC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408527762 572161321 /nfs/dbraw/zinc/16/13/21/572161321.db2.gz GIOWCHHFZOWGPS-RCCKNPSSSA-N -1 0 549.469 5.309 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408527985 572162284 /nfs/dbraw/zinc/16/22/84/572162284.db2.gz ANYCIFXMBNXJQM-XBXPHJQFSA-N -1 0 581.806 5.396 40 10 KKCBRM Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)cc1C ZINC000408529325 572168078 /nfs/dbraw/zinc/16/80/78/572168078.db2.gz HNDLHDWTAKDWLT-WQLSENKSSA-N -1 0 527.600 5.061 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408529657 572169293 /nfs/dbraw/zinc/16/92/93/572169293.db2.gz CVFATWCSLQYXAC-YBFXNURJSA-N -1 0 525.344 5.196 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408530388 572171311 /nfs/dbraw/zinc/17/13/11/572171311.db2.gz FFMFFKVPNSJJHH-ODLFYWEKSA-N -1 0 710.116 6.010 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)C1=O ZINC000408530306 572171346 /nfs/dbraw/zinc/17/13/46/572171346.db2.gz DXOTVSPNQBMYTK-AQTBWJFISA-N -1 0 600.219 5.106 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408530915 572173819 /nfs/dbraw/zinc/17/38/19/572173819.db2.gz GAJIVISDFZNIGT-FFKFWDHTSA-N -1 0 675.673 6.058 40 10 KKCBRM CCn1c2cc(Br)c(N=Cc3c(C)[n-]n(-c4ccc(Br)c(C)c4)c3=O)cc2n(CC)c1=O ZINC000408531020 572173885 /nfs/dbraw/zinc/17/38/85/572173885.db2.gz KBIZEGWLOHZHBS-VBKFSLOCSA-N -1 0 561.278 5.395 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 ZINC000408531223 572175022 /nfs/dbraw/zinc/17/50/22/572175022.db2.gz GNUPSKVEFMPRTC-ZDLGFXPLSA-N -1 0 639.083 6.404 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000408531379 572175549 /nfs/dbraw/zinc/17/55/49/572175549.db2.gz KLKDKSIDCOJCEP-HAHDFKILSA-N -1 0 549.469 6.852 40 10 KKCBRM Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)C2=O)ccc1Br ZINC000408531463 572175947 /nfs/dbraw/zinc/17/59/47/572175947.db2.gz KOLFQQQJZSCZDN-DEDYPNTBSA-N -1 0 648.333 5.208 40 10 KKCBRM CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408531853 572177640 /nfs/dbraw/zinc/17/76/40/572177640.db2.gz HJOBKHSKEHGRKQ-AUWJEWJLSA-N -1 0 590.146 5.212 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc2c(c1)OCO2 ZINC000408531944 572177992 /nfs/dbraw/zinc/17/79/92/572177992.db2.gz HPPMKBHAHFPKIE-NVMNQCDNSA-N -1 0 603.303 5.082 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408532520 572180325 /nfs/dbraw/zinc/18/03/25/572180325.db2.gz IHVUWKQZHDMBEC-ZDLGFXPLSA-N -1 0 594.632 6.295 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408533560 572183607 /nfs/dbraw/zinc/18/36/07/572183607.db2.gz KDAZUHDCRQLYMY-FVDLKSAPSA-N -1 0 655.255 5.713 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)C=Cc2ccccc2)C1=O ZINC000408534420 572185993 /nfs/dbraw/zinc/18/59/93/572185993.db2.gz LWWDXGGTPUUILQ-ODKHDCHRSA-N -1 0 531.362 5.043 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)/C1=C/NC(=S)Nc1cccc2ccccc21 ZINC000408535514 572188672 /nfs/dbraw/zinc/18/86/72/572188672.db2.gz SXLRTGHQKWXQFE-JJIBRWJFSA-N -1 0 629.580 6.523 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408535616 572189095 /nfs/dbraw/zinc/18/90/95/572189095.db2.gz OHFQRSYIQVBJLZ-ODLFYWEKSA-N -1 0 590.213 5.650 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc(Cl)cc1Cl ZINC000408535780 572189166 /nfs/dbraw/zinc/18/91/66/572189166.db2.gz OUISVZYNUCQYFX-NVNXTCNLSA-N -1 0 657.073 6.543 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408536637 572191498 /nfs/dbraw/zinc/19/14/98/572191498.db2.gz SHMABBBUULNUGE-IWWILETLSA-N -1 0 675.673 6.058 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536827 572192275 /nfs/dbraw/zinc/19/22/75/572192275.db2.gz BGVQZDOYRWPQRJ-YSMPRRRNSA-N -1 0 658.063 6.480 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408536898 572192781 /nfs/dbraw/zinc/19/27/81/572192781.db2.gz TVAGODMPUIESQK-BOPFTXTBSA-N -1 0 602.210 5.545 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br ZINC000408536850 572192811 /nfs/dbraw/zinc/19/28/11/572192811.db2.gz BJCZZDKQCXULQG-PDGQHHTCSA-N -1 0 608.283 5.624 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537078 572193199 /nfs/dbraw/zinc/19/31/99/572193199.db2.gz CCCRKIXWNJPMKZ-MXAYSNPKSA-N -1 0 751.384 7.343 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408537305 572194407 /nfs/dbraw/zinc/19/44/07/572194407.db2.gz VDFSKUYXKXCVPP-IUXPMGMMSA-N -1 0 764.979 7.009 40 10 KKCBRM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc1)CCCC2 ZINC000408537307 572194447 /nfs/dbraw/zinc/19/44/47/572194447.db2.gz ZXGJBCHXGRGGMV-XDJHFCHBSA-N -1 0 593.061 5.288 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537377 572194462 /nfs/dbraw/zinc/19/44/62/572194462.db2.gz DFNMAPKKVHWMPL-UCMJSZAQSA-N -1 0 763.641 8.260 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408537596 572194899 /nfs/dbraw/zinc/19/48/99/572194899.db2.gz GCXZEDGYMCXLFU-QFEZKATASA-N -1 0 651.930 7.870 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Br)c3)C2=O)cc1 ZINC000408537639 572195486 /nfs/dbraw/zinc/19/54/86/572195486.db2.gz GNKBVPHABIAULG-AFUMVMLFSA-N -1 0 722.386 7.053 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408537861 572196174 /nfs/dbraw/zinc/19/61/74/572196174.db2.gz XTOPDSRWYFZDTR-GZTJUZNOSA-N -1 0 543.334 5.417 40 10 KKCBRM Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408537857 572196212 /nfs/dbraw/zinc/19/62/12/572196212.db2.gz XTCHRJDNPJCHKZ-MOSHPQCFSA-N -1 0 539.769 5.297 40 10 KKCBRM COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC ZINC000408537800 572196219 /nfs/dbraw/zinc/19/62/19/572196219.db2.gz XJEXLAWYSKJXAD-ODLFYWEKSA-N -1 0 660.271 5.123 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537870 572196225 /nfs/dbraw/zinc/19/62/25/572196225.db2.gz HQYBCMDDSIXWIT-QFEZKATASA-N -1 0 740.832 8.088 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537939 572196537 /nfs/dbraw/zinc/19/65/37/572196537.db2.gz IHQDIJSGJPJEQO-ZMOGYAJESA-N -1 0 771.256 7.807 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537947 572196587 /nfs/dbraw/zinc/19/65/87/572196587.db2.gz IKZWNKOUKRKOQC-HWIUFGAZSA-N -1 0 670.718 7.107 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Br)c3)C2=O)cc1 ZINC000408538074 572197042 /nfs/dbraw/zinc/19/70/42/572197042.db2.gz IUGYPROGGMYSJL-CVKSISIWSA-N -1 0 736.413 7.443 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538116 572197113 /nfs/dbraw/zinc/19/71/13/572197113.db2.gz JFRKWTLAPRRFEK-ONUIUJJFSA-N -1 0 585.012 5.879 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)C=Cc2ccc(Cl)cc2)C1=O ZINC000408538226 572197330 /nfs/dbraw/zinc/19/73/30/572197330.db2.gz ZHVQEZNXTJIUQI-KOTFUQRNSA-N -1 0 565.807 5.696 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2)C1=O ZINC000408538247 572197399 /nfs/dbraw/zinc/19/73/99/572197399.db2.gz ZMWMNCMPWGDYGU-ATVHPVEESA-N -1 0 600.219 5.106 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)C2=O)c1 ZINC000408538232 572197637 /nfs/dbraw/zinc/19/76/37/572197637.db2.gz ZJVHIXCZFCRDAN-GRSHGNNSSA-N -1 0 679.115 5.868 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 ZINC000408538332 572197889 /nfs/dbraw/zinc/19/78/89/572197889.db2.gz LEIPPANEKBOXET-ONUIUJJFSA-N -1 0 579.565 5.428 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538368 572197997 /nfs/dbraw/zinc/19/79/97/572197997.db2.gz LRCBNKOGEOORPU-VULFUBBASA-N -1 0 705.989 7.643 40 10 KKCBRM COc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538389 572198241 /nfs/dbraw/zinc/19/82/41/572198241.db2.gz MCJFNHLDSHFFCA-JVWAILMASA-N -1 0 583.040 6.481 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538521 572198706 /nfs/dbraw/zinc/19/87/06/572198706.db2.gz ODZJVBNDLDBIQD-DICXZTSXSA-N -1 0 645.539 7.833 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1OC ZINC000408538668 572199108 /nfs/dbraw/zinc/19/91/08/572199108.db2.gz BJRZDAYZEPDVQT-MIXAMLLLSA-N -1 0 759.650 7.868 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538732 572199560 /nfs/dbraw/zinc/19/95/60/572199560.db2.gz PXBUQLLIITZARX-JJFYIABZSA-N -1 0 672.348 8.133 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538982 572200366 /nfs/dbraw/zinc/20/03/66/572200366.db2.gz SJYXEMNOCOHZCJ-QRQIAZFYSA-N -1 0 729.580 6.858 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408539162 572201153 /nfs/dbraw/zinc/20/11/53/572201153.db2.gz UJQNPHOUHYMBLV-ZTKZIYFRSA-N -1 0 671.544 7.071 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539268 572201468 /nfs/dbraw/zinc/20/14/68/572201468.db2.gz UZMRKUZJMJAFPL-QFEZKATASA-N -1 0 659.489 5.996 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539518 572202499 /nfs/dbraw/zinc/20/24/99/572202499.db2.gz WXPDOSVORBJLSK-PKAZHMFMSA-N -1 0 623.618 5.827 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408539556 572202610 /nfs/dbraw/zinc/20/26/10/572202610.db2.gz XLPHKSHFLYGHOK-UYRXBGFRSA-N -1 0 560.401 5.382 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539781 572203247 /nfs/dbraw/zinc/20/32/47/572203247.db2.gz YYTHJVBOPMMYFW-MTDXEUNCSA-N -1 0 566.585 6.049 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408540012 572204095 /nfs/dbraw/zinc/20/40/95/572204095.db2.gz LSPOZSHZTSXWQT-WGOQTCKBSA-N -1 0 603.458 6.826 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539975 572204227 /nfs/dbraw/zinc/20/42/27/572204227.db2.gz LFXOGBVPROTMIS-OYKKKHCWSA-N -1 0 708.428 7.210 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1OC ZINC000408540083 572204618 /nfs/dbraw/zinc/20/46/18/572204618.db2.gz MVWAVVYHNNLNTM-MIXAMLLLSA-N -1 0 715.199 7.759 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1Br ZINC000408540317 572205487 /nfs/dbraw/zinc/20/54/87/572205487.db2.gz PZHWWBJNGFMUEP-UYRXBGFRSA-N -1 0 638.353 6.635 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1Br ZINC000408540319 572205496 /nfs/dbraw/zinc/20/54/96/572205496.db2.gz PZJIMPBDACMXBR-XSFVSMFZSA-N -1 0 652.380 7.025 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408540491 572205758 /nfs/dbraw/zinc/20/57/58/572205758.db2.gz SLVJMJJETZEGSV-WPWMEQJKSA-N -1 0 617.485 7.217 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1OC ZINC000408540827 572206974 /nfs/dbraw/zinc/20/69/74/572206974.db2.gz WFCLXFMBTPJWQZ-QRQIAZFYSA-N -1 0 701.172 7.369 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540948 572207502 /nfs/dbraw/zinc/20/75/02/572207502.db2.gz DDABMRDWVCLFHS-HZHRSRAPSA-N -1 0 608.478 5.874 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408541079 572207561 /nfs/dbraw/zinc/20/75/61/572207561.db2.gz XPTVVGVLOATEIS-XHPQRKPJSA-N -1 0 550.636 5.685 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000408541145 572207790 /nfs/dbraw/zinc/20/77/90/572207790.db2.gz YAIWMWFGEXRHKQ-LICLKQGHSA-N -1 0 598.719 6.799 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541468 572208876 /nfs/dbraw/zinc/20/88/76/572208876.db2.gz CTXKXPIEUSQOOY-PCLIKHOPSA-N -1 0 590.101 5.385 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1Cl ZINC000408549988 572232840 /nfs/dbraw/zinc/23/28/40/572232840.db2.gz AHIJFTLJVRTVPC-OMCISZLKSA-N -1 0 716.597 7.164 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550084 572233337 /nfs/dbraw/zinc/23/33/37/572233337.db2.gz BHHAMWXVZGYXSD-QFEZKATASA-N -1 0 694.955 7.308 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550290 572233785 /nfs/dbraw/zinc/23/37/85/572233785.db2.gz CKIPCVVXVZIYED-VXLYETTFSA-N -1 0 710.308 5.689 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1C ZINC000408550578 572234201 /nfs/dbraw/zinc/23/42/01/572234201.db2.gz FJXMJAIJBNPXNG-MTJSOVHGSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550435 572234336 /nfs/dbraw/zinc/23/43/36/572234336.db2.gz FANHQHXVFYAQGO-JMIUGGIZSA-N -1 0 616.885 6.346 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550715 572234751 /nfs/dbraw/zinc/23/47/51/572234751.db2.gz GRWXFJFLMCUQAY-QGMBQPNBSA-N -1 0 681.754 6.800 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550918 572235019 /nfs/dbraw/zinc/23/50/19/572235019.db2.gz IHURLADHXKMHKT-FRKPEAEDSA-N -1 0 686.115 6.341 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408551679 572236381 /nfs/dbraw/zinc/23/63/81/572236381.db2.gz LYDGFAPOVKKVJW-IUXPMGMMSA-N -1 0 637.259 5.771 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408551634 572236494 /nfs/dbraw/zinc/23/64/94/572236494.db2.gz LPUWYXLZUTVHQX-APSNUPSMSA-N -1 0 684.124 5.908 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551680 572236513 /nfs/dbraw/zinc/23/65/13/572236513.db2.gz FIJJYBWNMUNWIX-PXNMLYILSA-N -1 0 623.276 6.301 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552563 572238497 /nfs/dbraw/zinc/23/84/97/572238497.db2.gz QWQOMFMAWNNZMD-NVMNQCDNSA-N -1 0 725.279 5.589 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1OC ZINC000408552607 572238670 /nfs/dbraw/zinc/23/86/70/572238670.db2.gz KGBCQAYLZKAWNB-BKUYFWCQSA-N -1 0 598.439 5.475 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552502 572238727 /nfs/dbraw/zinc/23/87/27/572238727.db2.gz IZPVBHGKNBIUMC-IDUWFGFVSA-N -1 0 619.801 5.248 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552610 572239158 /nfs/dbraw/zinc/23/91/58/572239158.db2.gz KHJVXBNOWCEZDX-VCHYOVAHSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552923 572239632 /nfs/dbraw/zinc/23/96/32/572239632.db2.gz LRHNUGNRAKEVJK-WQRHYEAKSA-N -1 0 605.297 5.605 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553017 572239963 /nfs/dbraw/zinc/23/99/63/572239963.db2.gz UJTCGBWVOBTMDW-UNOMPAQXSA-N -1 0 570.454 5.241 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408553248 572240313 /nfs/dbraw/zinc/24/03/13/572240313.db2.gz NBSBKZXCDYQOCH-YVLHZVERSA-N -1 0 560.846 5.496 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554039 572241477 /nfs/dbraw/zinc/24/14/77/572241477.db2.gz YMBNITLDYROIDN-ZDLGFXPLSA-N -1 0 604.899 5.894 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408554329 572241778 /nfs/dbraw/zinc/24/17/78/572241778.db2.gz RRDDHRLLAZJOBG-GIJQJNRQSA-N -1 0 604.830 5.348 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408554729 572242108 /nfs/dbraw/zinc/24/21/08/572242108.db2.gz UKVKGVIDRBYXBQ-GIJQJNRQSA-N -1 0 593.250 6.293 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554668 572242124 /nfs/dbraw/zinc/24/21/24/572242124.db2.gz SPWKVCUPGZEUDX-GIJQJNRQSA-N -1 0 623.674 6.093 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1C ZINC000408555159 572242456 /nfs/dbraw/zinc/24/24/56/572242456.db2.gz VXWWWCVYLSLQAS-GRSHGNNSSA-N -1 0 617.283 6.057 40 10 KKCBRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1)N1CCCCCC1 ZINC000408581960 572264607 /nfs/dbraw/zinc/26/46/07/572264607.db2.gz BERXNGZGVSNVPF-UHFFFAOYSA-N -1 0 512.031 5.780 40 10 KKCBRM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408596661 572271072 /nfs/dbraw/zinc/27/10/72/572271072.db2.gz XIVMKKFFDIPYJP-LJQANCHMSA-N -1 0 541.069 5.588 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1OCC ZINC000408604694 572274097 /nfs/dbraw/zinc/27/40/97/572274097.db2.gz WDDPWSKXTDIJCS-NBVRZTHBSA-N -1 0 512.921 5.593 40 10 KKCBRM CCn1c(S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408632302 572288567 /nfs/dbraw/zinc/28/85/67/572288567.db2.gz INQOLRXAFLKJNG-BUVRLJJBSA-N -1 0 551.068 6.339 40 10 KKCBRM CCn1c(S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633117 572289865 /nfs/dbraw/zinc/28/98/65/572289865.db2.gz LPZIMJZVHDRSFA-BRJLIKDPSA-N -1 0 548.621 5.336 40 10 KKCBRM CCn1c(S/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633337 572290049 /nfs/dbraw/zinc/29/00/49/572290049.db2.gz MOCKXSLJLUAWPZ-MFKUBSTISA-N -1 0 518.639 5.916 40 10 KKCBRM Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc(C)c(I)c1 ZINC000408634066 572290992 /nfs/dbraw/zinc/29/09/92/572290992.db2.gz OLPFYLXDJFAXDL-NHDPSOOVSA-N -1 0 529.403 6.101 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634027 572290998 /nfs/dbraw/zinc/29/09/98/572290998.db2.gz RCOQJLYGEBZEIU-OYKKKHCWSA-N -1 0 583.508 6.370 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408634668 572291696 /nfs/dbraw/zinc/29/16/96/572291696.db2.gz WHCAYFDHUPXQGM-QRVIBDJDSA-N -1 0 504.612 5.731 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000260567456 572322610 /nfs/dbraw/zinc/32/26/10/572322610.db2.gz LLLLBDHNGVKJRI-YFEUJDIGSA-N -1 0 530.850 5.799 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260565540 572322615 /nfs/dbraw/zinc/32/26/15/572322615.db2.gz IZBAOZNTNWWPDT-WMRWHDLOSA-N -1 0 526.500 5.781 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)c(OC)c1 ZINC000260568120 572322643 /nfs/dbraw/zinc/32/26/43/572322643.db2.gz NJPSTQVSXXSBJL-MNOULKQQSA-N -1 0 505.615 5.179 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OC(C)C ZINC000096193385 1069689170 /nfs/dbraw/zinc/68/91/70/1069689170.db2.gz CMQOWQCYTMQHRH-CHHVJCJISA-N -1 0 507.768 5.403 40 10 KKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S ZINC000097957629 1069690699 /nfs/dbraw/zinc/69/06/99/1069690699.db2.gz FMYXBFOKBZTMBT-CYYJNZCTSA-N -1 0 597.734 5.978 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000102687040 1069706703 /nfs/dbraw/zinc/70/67/03/1069706703.db2.gz XTUGIRVBVYLHCD-PCLIKHOPSA-N -1 0 576.099 6.448 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408771216 1069738990 /nfs/dbraw/zinc/73/89/90/1069738990.db2.gz DZWAWSXDUAGENX-FYJGNVAPSA-N -1 0 582.394 5.162 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408802962 1069741437 /nfs/dbraw/zinc/74/14/37/1069741437.db2.gz JQVYWPPMIXRORL-WOJGMQOQSA-N -1 0 637.257 6.242 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408819582 1069743183 /nfs/dbraw/zinc/74/31/83/1069743183.db2.gz ZLCJUQXOTYGFKS-KEBDBYFISA-N -1 0 512.305 5.147 40 10 KKCBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408833960 1069744008 /nfs/dbraw/zinc/74/40/08/1069744008.db2.gz KQOJWQTVRCQRAV-TURZUDJPSA-N -1 0 520.585 6.182 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408834804 1069744881 /nfs/dbraw/zinc/74/48/81/1069744881.db2.gz MAYCXXAOUQTKEW-OCSSWDANSA-N -1 0 671.964 8.933 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408834956 1069744936 /nfs/dbraw/zinc/74/49/36/1069744936.db2.gz WHRGKTBYLTYUOQ-CAOOACKPSA-N -1 0 683.282 5.869 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408836169 1069745609 /nfs/dbraw/zinc/74/56/09/1069745609.db2.gz ZFFBJGHYMRHVEB-UFFVCSGVSA-N -1 0 634.310 6.797 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408847693 1069746053 /nfs/dbraw/zinc/74/60/53/1069746053.db2.gz OASZTNJDEOXTAH-OVCLIPMQSA-N -1 0 597.263 6.619 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408876101 1069748922 /nfs/dbraw/zinc/74/89/22/1069748922.db2.gz JKZOXYHLECINPA-NDENLUEZSA-N -1 0 555.425 5.397 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408934709 1069758364 /nfs/dbraw/zinc/75/83/64/1069758364.db2.gz FWSDZRQKPQLQDA-BUVRLJJBSA-N -1 0 652.328 7.580 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)C2=O)ccc1Br ZINC000408760010 1069852557 /nfs/dbraw/zinc/85/25/57/1069852557.db2.gz PXNRSDORMSIKJK-FVSIZJORSA-N -1 0 505.328 5.545 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408768474 1069873071 /nfs/dbraw/zinc/87/30/71/1069873071.db2.gz GBGVMPDPQVNTMM-QGMBQPNBSA-N -1 0 630.245 5.194 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408768870 1069874252 /nfs/dbraw/zinc/87/42/52/1069874252.db2.gz KRDOQZPRENFDSI-UDWIEESQSA-N -1 0 556.756 5.256 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408769075 1069874842 /nfs/dbraw/zinc/87/48/42/1069874842.db2.gz NGDBMDAJEAWCKH-JFLMPSFJSA-N -1 0 620.956 6.920 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408773120 1069885587 /nfs/dbraw/zinc/88/55/87/1069885587.db2.gz PGTGXXGXTBIFEJ-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408776556 1069882344 /nfs/dbraw/zinc/88/23/44/1069882344.db2.gz PNSANOJWKPMGNF-VXLYETTFSA-N -1 0 667.681 5.961 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408771777 1069882398 /nfs/dbraw/zinc/88/23/98/1069882398.db2.gz IUXXTNJCHLWTAA-RGVLZGJSSA-N -1 0 525.388 5.864 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408772029 1069883409 /nfs/dbraw/zinc/88/34/09/1069883409.db2.gz MLYISAWQUCBIRP-SRZZPIQSSA-N -1 0 661.290 5.925 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)c1C)CCCC2 ZINC000408772595 1069884798 /nfs/dbraw/zinc/88/47/98/1069884798.db2.gz DHGUZHJTDLTOEZ-DEDYPNTBSA-N -1 0 598.544 5.415 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408775532 1069893622 /nfs/dbraw/zinc/89/36/22/1069893622.db2.gz UFPMAZJRBSHMHG-VXLYETTFSA-N -1 0 604.284 6.627 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408775726 1069893848 /nfs/dbraw/zinc/89/38/48/1069893848.db2.gz JJXKQWATXMVXFT-CXUHLZMHSA-N -1 0 582.343 6.544 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408777560 1069894299 /nfs/dbraw/zinc/89/42/99/1069894299.db2.gz CATZPJDGYQUTOX-RGVLZGJSSA-N -1 0 510.363 5.279 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408777748 1069895174 /nfs/dbraw/zinc/89/51/74/1069895174.db2.gz HRLIBJWKYMUFKY-NTUHNPAUSA-N -1 0 608.738 5.427 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408777293 1069895422 /nfs/dbraw/zinc/89/54/22/1069895422.db2.gz XXTUSCDMASVEBA-DJKKODMXSA-N -1 0 555.370 5.366 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408778823 1069899143 /nfs/dbraw/zinc/89/91/43/1069899143.db2.gz LXWDQPWIDZXCDT-YDZHTSKRSA-N -1 0 591.845 6.510 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c1C)CCCC2 ZINC000408778883 1069899469 /nfs/dbraw/zinc/89/94/69/1069899469.db2.gz ZBYLBWROYQOVQA-DEDYPNTBSA-N -1 0 612.571 5.723 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408779518 1069900552 /nfs/dbraw/zinc/90/05/52/1069900552.db2.gz XOJWLBIRZNTSOX-UDWIEESQSA-N -1 0 525.388 5.946 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408780247 1069902871 /nfs/dbraw/zinc/90/28/71/1069902871.db2.gz WBYVVKKQDAYHOZ-WUXMJOGZSA-N -1 0 547.711 5.195 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408780890 1069905460 /nfs/dbraw/zinc/90/54/60/1069905460.db2.gz MRVCFCVIUWJFNC-CIAFOILYSA-N -1 0 580.391 5.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408782470 1069907030 /nfs/dbraw/zinc/90/70/30/1069907030.db2.gz HFTAICVYNITTFI-VXLYETTFSA-N -1 0 515.324 5.387 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)c1 ZINC000408782493 1069907523 /nfs/dbraw/zinc/90/75/23/1069907523.db2.gz JEANUCRPWIBXEK-FYJGNVAPSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408782864 1069908473 /nfs/dbraw/zinc/90/84/73/1069908473.db2.gz KDCPFRYWDMGRKV-FYJGNVAPSA-N -1 0 555.441 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408785545 1069914204 /nfs/dbraw/zinc/91/42/04/1069914204.db2.gz HCVLQFCIGBXRLQ-RGVLZGJSSA-N -1 0 553.384 5.459 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408781354 1069915594 /nfs/dbraw/zinc/91/55/94/1069915594.db2.gz BROPBKIQZGLWGH-BUVRLJJBSA-N -1 0 561.819 6.501 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c2c1 ZINC000408785655 1069914792 /nfs/dbraw/zinc/91/47/92/1069914792.db2.gz AJELDKUGDLKHSZ-QGOAFFKASA-N -1 0 515.418 5.775 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408788806 1069917072 /nfs/dbraw/zinc/91/70/72/1069917072.db2.gz HPPUTGBKOABCOX-DJKKODMXSA-N -1 0 651.284 6.469 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408786713 1069922139 /nfs/dbraw/zinc/92/21/39/1069922139.db2.gz UZHRRNMUERCLES-RGVLZGJSSA-N -1 0 647.263 5.616 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000408791498 1069930136 /nfs/dbraw/zinc/93/01/36/1069930136.db2.gz ZHCAHRRWIVPMTC-XQNSMLJCSA-N -1 0 516.022 6.062 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408795629 1069927888 /nfs/dbraw/zinc/92/78/88/1069927888.db2.gz COHWKIOCZCFLRO-SSDVNMTOSA-N -1 0 644.893 6.514 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408796055 1069928679 /nfs/dbraw/zinc/92/86/79/1069928679.db2.gz CZWZOQMFIRCSGJ-CXUHLZMHSA-N -1 0 580.251 6.944 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408796389 1069929414 /nfs/dbraw/zinc/92/94/14/1069929414.db2.gz AFBOSEXLLHVZBC-RQZCQDPDSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1Cl ZINC000408797152 1069932289 /nfs/dbraw/zinc/93/22/89/1069932289.db2.gz GKNWHCVMPGQQTH-ZVHZXABRSA-N -1 0 531.395 6.700 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408798007 1069933177 /nfs/dbraw/zinc/93/31/77/1069933177.db2.gz DIKXMGSLWPGNJO-CIAFOILYSA-N -1 0 585.838 5.755 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408800131 1069935379 /nfs/dbraw/zinc/93/53/79/1069935379.db2.gz KVZYIVFIYJBWAF-ZVHZXABRSA-N -1 0 533.024 6.163 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408800128 1069935426 /nfs/dbraw/zinc/93/54/26/1069935426.db2.gz KUOYZYJGSOUASC-KEBDBYFISA-N -1 0 618.311 7.017 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408800751 1069937781 /nfs/dbraw/zinc/93/77/81/1069937781.db2.gz PDFJCYOSLLQLGS-CIAFOILYSA-N -1 0 525.388 5.946 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408801552 1069939415 /nfs/dbraw/zinc/93/94/15/1069939415.db2.gz VPKSQZBCVJZLKO-MFKUBSTISA-N -1 0 676.463 5.875 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408801359 1069939435 /nfs/dbraw/zinc/93/94/35/1069939435.db2.gz VMWYBGQQPCSDGE-CIAFOILYSA-N -1 0 569.397 5.424 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408800174 1069936023 /nfs/dbraw/zinc/93/60/23/1069936023.db2.gz NKXAKFIGXDYHNX-CIAFOILYSA-N -1 0 566.364 5.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408801835 1069940445 /nfs/dbraw/zinc/94/04/45/1069940445.db2.gz CDZDCJSCTRUQFD-VXLYETTFSA-N -1 0 515.780 6.201 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408806771 1069942491 /nfs/dbraw/zinc/94/24/91/1069942491.db2.gz BQYZXKASUJLUEJ-MFKUBSTISA-N -1 0 662.480 6.406 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000408807041 1069943453 /nfs/dbraw/zinc/94/34/53/1069943453.db2.gz NYKATBANURAFJS-BUVRLJJBSA-N -1 0 517.368 6.392 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408807589 1069943519 /nfs/dbraw/zinc/94/35/19/1069943519.db2.gz DFKNZVBPGLUZCO-LDADJPATSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)c1 ZINC000408802620 1069944960 /nfs/dbraw/zinc/94/49/60/1069944960.db2.gz ZLHDFDDHFDVROQ-PCLIKHOPSA-N -1 0 510.977 6.355 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408802747 1069945971 /nfs/dbraw/zinc/94/59/71/1069945971.db2.gz GVPONJKZPGGSPL-DJKKODMXSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1C ZINC000408803840 1069948095 /nfs/dbraw/zinc/94/80/95/1069948095.db2.gz AYHMQBUHYRCQPV-OEAKJJBVSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408803802 1069948207 /nfs/dbraw/zinc/94/82/07/1069948207.db2.gz APKVSRDATCNXOQ-PCLIKHOPSA-N -1 0 541.401 6.156 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408803715 1069948345 /nfs/dbraw/zinc/94/83/45/1069948345.db2.gz SNARMZFVDJAYHL-MTDXEUNCSA-N -1 0 532.983 6.892 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408804592 1069950850 /nfs/dbraw/zinc/95/08/50/1069950850.db2.gz YRLLAJHYAVNLTB-GZTJUZNOSA-N -1 0 556.756 5.256 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408804479 1069949966 /nfs/dbraw/zinc/94/99/66/1069949966.db2.gz AHWQNOYGFLCPGT-FYJGNVAPSA-N -1 0 521.367 5.012 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000408803029 1069946657 /nfs/dbraw/zinc/94/66/57/1069946657.db2.gz KMZVMPUUGBKKRJ-CPNJWEJPSA-N -1 0 525.786 5.656 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408804916 1069951493 /nfs/dbraw/zinc/95/14/93/1069951493.db2.gz CGZHPYHREZNFQQ-PCLIKHOPSA-N -1 0 550.567 5.189 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408804957 1069951535 /nfs/dbraw/zinc/95/15/35/1069951535.db2.gz HQXZFFNKENTCRD-SSDVNMTOSA-N -1 0 553.442 6.563 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408806182 1069955906 /nfs/dbraw/zinc/95/59/06/1069955906.db2.gz ATBKDWIHEIDQRO-FYJGNVAPSA-N -1 0 638.845 6.352 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408805396 1069953536 /nfs/dbraw/zinc/95/35/36/1069953536.db2.gz AUUHTAPNZGINLD-OVCLIPMQSA-N -1 0 610.675 6.663 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408806314 1069955795 /nfs/dbraw/zinc/95/57/95/1069955795.db2.gz IRKBLMGWIVWEEE-FSJBWODESA-N -1 0 666.899 6.969 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408808115 1069958754 /nfs/dbraw/zinc/95/87/54/1069958754.db2.gz DFZDCQWZVJNJGP-UVHMKAGCSA-N -1 0 572.080 7.021 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc3ccccc32)C1=O ZINC000408808766 1069960690 /nfs/dbraw/zinc/96/06/90/1069960690.db2.gz FYJXSEJYENNLSZ-HZHRSRAPSA-N -1 0 531.395 6.700 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC ZINC000408808158 1069959039 /nfs/dbraw/zinc/95/90/39/1069959039.db2.gz FHMDFBMVMVSKGX-NTUHNPAUSA-N -1 0 575.186 5.062 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408808681 1069959863 /nfs/dbraw/zinc/95/98/63/1069959863.db2.gz QUEZFGKVLVLZDQ-VCHYOVAHSA-N -1 0 620.802 5.646 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408809902 1069963050 /nfs/dbraw/zinc/96/30/50/1069963050.db2.gz SOSBONGFVDDKLP-WSDLNYQXSA-N -1 0 518.997 5.828 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408810936 1069965465 /nfs/dbraw/zinc/96/54/65/1069965465.db2.gz NCOUXUQIGUWCIT-AFUMVMLFSA-N -1 0 555.030 6.672 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)c1 ZINC000408810960 1069965491 /nfs/dbraw/zinc/96/54/91/1069965491.db2.gz VCQQSHPFLWCYCA-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408809139 1069961199 /nfs/dbraw/zinc/96/11/99/1069961199.db2.gz KELVBJZJVAJBHK-RQZCQDPDSA-N -1 0 564.194 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408809344 1069962338 /nfs/dbraw/zinc/96/23/38/1069962338.db2.gz HKMAHBXHDSPDAO-UDWIEESQSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)c(C)c1 ZINC000408815546 1069970016 /nfs/dbraw/zinc/97/00/16/1069970016.db2.gz XDEGOERQBQMDCM-UDWIEESQSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O ZINC000408816490 1069972607 /nfs/dbraw/zinc/97/26/07/1069972607.db2.gz UVJUTHWXTPHXOF-RQZCQDPDSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408817764 1069975382 /nfs/dbraw/zinc/97/53/82/1069975382.db2.gz WSDDBFSGCKSAGR-LPYMAVHISA-N -1 0 555.414 6.036 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408817787 1069975453 /nfs/dbraw/zinc/97/54/53/1069975453.db2.gz UNKVMLQMEJQADI-VCHYOVAHSA-N -1 0 637.257 6.242 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408819038 1069977717 /nfs/dbraw/zinc/97/77/17/1069977717.db2.gz XUNGOHSKGXGWJB-CVKSISIWSA-N -1 0 694.909 6.778 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408819096 1069978267 /nfs/dbraw/zinc/97/82/67/1069978267.db2.gz WQTCNLUHOMBARC-WGOQTCKBSA-N -1 0 508.530 5.102 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)c(C)c1 ZINC000408814154 1069979819 /nfs/dbraw/zinc/97/98/19/1069979819.db2.gz NYNIWYKDXRMLLJ-PCLIKHOPSA-N -1 0 569.455 6.773 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1C ZINC000408814485 1069981121 /nfs/dbraw/zinc/98/11/21/1069981121.db2.gz ZFVOXYLXBSCPFX-CIAFOILYSA-N -1 0 505.914 5.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408822617 1069983441 /nfs/dbraw/zinc/98/34/41/1069983441.db2.gz BKUCNKKUZVCFDJ-AFUMVMLFSA-N -1 0 637.903 7.480 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408822507 1069983516 /nfs/dbraw/zinc/98/35/16/1069983516.db2.gz CCCUGQBHOXBZKF-VXLYETTFSA-N -1 0 557.386 5.265 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408822929 1069984308 /nfs/dbraw/zinc/98/43/08/1069984308.db2.gz CSOCTGRNMPSOBY-UKDMQPFDSA-N -1 0 819.671 8.562 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1Br ZINC000408822987 1069984935 /nfs/dbraw/zinc/98/49/35/1069984935.db2.gz CXQPJIJJIJURLZ-HYARGMPZSA-N -1 0 614.290 6.246 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408823203 1069986647 /nfs/dbraw/zinc/98/66/47/1069986647.db2.gz NBUCNBAWGWFAFX-BLPXWJRUSA-N -1 0 738.284 9.170 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408823189 1069986777 /nfs/dbraw/zinc/98/67/77/1069986777.db2.gz MXZJOUVBFTXAJE-STBIYBPSSA-N -1 0 593.592 5.736 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408823873 1069990055 /nfs/dbraw/zinc/99/00/55/1069990055.db2.gz FSEZZEYGCHDCII-XEKZJJGPSA-N -1 0 818.768 10.124 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc(F)cc5)cc4)C3=O)cc2)cc1 ZINC000408824023 1069990658 /nfs/dbraw/zinc/99/06/58/1069990658.db2.gz PBRLZFCHTHLOPT-RDRPBHBLSA-N -1 0 536.559 5.959 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408824195 1069991645 /nfs/dbraw/zinc/99/16/45/1069991645.db2.gz HGABLHHCKYHXIB-LQKURTRISA-N -1 0 686.515 6.889 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408821847 1069999316 /nfs/dbraw/zinc/99/93/16/1069999316.db2.gz KUIAQQVNJWNPRK-SWIRUNBASA-N -1 0 813.705 8.879 40 10 KKCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408821982 1070000186 /nfs/dbraw/zinc/00/01/86/1070000186.db2.gz AVJHOPMWANTWRF-HZHRSRAPSA-N -1 0 569.839 6.137 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000408822125 1070001012 /nfs/dbraw/zinc/00/10/12/1070001012.db2.gz KZTYQJCHGQWSNU-QEVYWNJUSA-N -1 0 730.264 9.616 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408825916 1070001421 /nfs/dbraw/zinc/00/14/21/1070001421.db2.gz SAUKURNQAJNNPW-PCLIKHOPSA-N -1 0 573.432 6.818 40 10 KKCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408826405 1070003738 /nfs/dbraw/zinc/00/37/38/1070003738.db2.gz CCHCQSOXOYAYKJ-HYARGMPZSA-N -1 0 511.361 5.638 40 10 KKCBRM CC(C)Oc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408826923 1070004851 /nfs/dbraw/zinc/00/48/51/1070004851.db2.gz LTULCYVQBOJHTP-PDGQHHTCSA-N -1 0 502.876 5.966 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Cl)cc1 ZINC000408827748 1070007769 /nfs/dbraw/zinc/00/77/69/1070007769.db2.gz MCZZFXRTWWTONV-JVWAILMASA-N -1 0 587.459 7.126 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408827180 1070005401 /nfs/dbraw/zinc/00/54/01/1070005401.db2.gz MHAXPISLNZDMKQ-AJBULDERSA-N -1 0 603.074 7.626 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2)cc1C ZINC000408827103 1070005750 /nfs/dbraw/zinc/00/57/50/1070005750.db2.gz CIMUVXUXCZQRAL-UXHLAJHPSA-N -1 0 567.041 6.781 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5cccc6ccccc65)cc4)C3=O)cc2)cc1 ZINC000408827898 1070008423 /nfs/dbraw/zinc/00/84/23/1070008423.db2.gz VGRFUNRZWGACOB-QNKGDIEWSA-N -1 0 568.629 6.973 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc5c6c(c4)[C@@H](c4ccccc4)CCN6CC[C@@H]5c4ccccc4)C3=O)cc2)cc1 ZINC000408828043 1070008871 /nfs/dbraw/zinc/00/88/71/1070008871.db2.gz LIWABMWPVBCIRT-OEJGKCQCSA-N -1 0 659.786 8.118 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408824436 1070009893 /nfs/dbraw/zinc/00/98/93/1070009893.db2.gz HPNMEJQZEFYLIZ-DHRITJCHSA-N -1 0 777.826 8.475 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408825219 1070012749 /nfs/dbraw/zinc/01/27/49/1070012749.db2.gz JICIZBZMPUVCCU-MZJWZYIUSA-N -1 0 665.957 8.178 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408830174 1070017375 /nfs/dbraw/zinc/01/73/75/1070017375.db2.gz YGGHEWNQDKEXMB-ZCTHSVRISA-N -1 0 590.676 6.835 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408828453 1070014008 /nfs/dbraw/zinc/01/40/08/1070014008.db2.gz MHYZCLKXHRLRHN-VULFUBBASA-N -1 0 739.906 6.686 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408825821 1070014113 /nfs/dbraw/zinc/01/41/13/1070014113.db2.gz JNEFHQKCNMINFJ-MHDDPQMZSA-N -1 0 645.759 7.810 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c(OC)cc1Cl ZINC000408831120 1070019984 /nfs/dbraw/zinc/01/99/84/1070019984.db2.gz PRMYFAAJVNGATG-CXUHLZMHSA-N -1 0 596.250 6.563 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408831607 1070021301 /nfs/dbraw/zinc/02/13/01/1070021301.db2.gz QZNAJABTDPVURN-UKDMQPFDSA-N -1 0 793.545 9.879 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408831965 1070021648 /nfs/dbraw/zinc/02/16/48/1070021648.db2.gz IAXBRUZRVILTKQ-CVKSISIWSA-N -1 0 652.328 7.580 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408831915 1070021718 /nfs/dbraw/zinc/02/17/18/1070021718.db2.gz HRWPXSLQGXGELT-UMWWRZFZSA-N -1 0 769.652 8.480 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408830772 1070018569 /nfs/dbraw/zinc/01/85/69/1070018569.db2.gz PWARCYXFQBLKEA-UDWIEESQSA-N -1 0 585.838 5.755 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408830891 1070018952 /nfs/dbraw/zinc/01/89/52/1070018952.db2.gz YZWAONDNSAGGEZ-JVWAILMASA-N -1 0 696.779 7.689 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408831720 1070021983 /nfs/dbraw/zinc/02/19/83/1070021983.db2.gz ZZPONJGEEHIHQE-VFKNEVJASA-N -1 0 710.230 8.472 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4c(OC(C)C)ccc5ccccc54)C3=O)cc2)cc1 ZINC000408836280 1070026600 /nfs/dbraw/zinc/02/66/00/1070026600.db2.gz ZYSFHYWUTOMTRC-MTDXEUNCSA-N -1 0 520.585 6.181 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408832255 1070023253 /nfs/dbraw/zinc/02/32/53/1070023253.db2.gz QJFUEBPPKRILAP-FMFFXOCNSA-N -1 0 612.682 7.290 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408836281 1070026848 /nfs/dbraw/zinc/02/68/48/1070026848.db2.gz ZZDUSGPZJSFBDV-GIJQJNRQSA-N -1 0 662.864 5.524 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2Br)cc1C ZINC000408836535 1070027488 /nfs/dbraw/zinc/02/74/88/1070027488.db2.gz SFRLIOBSGWFIII-MZJWZYIUSA-N -1 0 680.382 8.197 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408836679 1070027531 /nfs/dbraw/zinc/02/75/31/1070027531.db2.gz UGCHUEWAHDIWDO-WYMPLXKRSA-N -1 0 672.348 8.133 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5cccc6ccccc65)c(Cl)c4)C3=O)cc2)cc1 ZINC000408833395 1070031100 /nfs/dbraw/zinc/03/11/00/1070031100.db2.gz JSZWCSPEJHQIJG-ZCTHSVRISA-N -1 0 603.074 7.626 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408834276 1070032833 /nfs/dbraw/zinc/03/28/33/1070032833.db2.gz UUMWJXRBCQUPQJ-JFLMPSFJSA-N -1 0 753.387 7.195 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408834294 1070033701 /nfs/dbraw/zinc/03/37/01/1070033701.db2.gz UGMQLFPAINRITH-JFLMPSFJSA-N -1 0 740.832 8.088 40 10 KKCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408835074 1070036371 /nfs/dbraw/zinc/03/63/71/1070036371.db2.gz XWYAKRZJPHCQHF-KAZAHDEESA-N -1 0 583.688 6.629 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408836023 1070039677 /nfs/dbraw/zinc/03/96/77/1070039677.db2.gz PHCOTVMVOIJUBU-MFOYZWKCSA-N -1 0 580.302 6.166 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408848073 1070056997 /nfs/dbraw/zinc/05/69/97/1070056997.db2.gz OSLHCOUEPNYXGI-CXUHLZMHSA-N -1 0 582.292 6.719 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1C ZINC000408847231 1070055672 /nfs/dbraw/zinc/05/56/72/1070055672.db2.gz QDNMPLBCOAVESB-KEBDBYFISA-N -1 0 804.160 6.363 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2c(C)n(-c3ccccc3)c(C)c2Br)C(=O)[N-]C1=S ZINC000408847831 1070056409 /nfs/dbraw/zinc/05/64/09/1070056409.db2.gz SLJAQWCIBNRKAC-XSFVSMFZSA-N -1 0 508.441 5.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408853239 1070061171 /nfs/dbraw/zinc/06/11/71/1070061171.db2.gz QEOYNPBADNNREE-CFRMEGHHSA-N -1 0 572.017 6.642 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000408843317 1070057505 /nfs/dbraw/zinc/05/75/05/1070057505.db2.gz DGSYKQUXZAPSPA-CXUHLZMHSA-N -1 0 655.195 7.237 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000408851925 1070059154 /nfs/dbraw/zinc/05/91/54/1070059154.db2.gz BRKRLXDWWRZQNA-HZHRSRAPSA-N -1 0 556.474 6.981 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408852358 1070059409 /nfs/dbraw/zinc/05/94/09/1070059409.db2.gz STNSSZNTTNPQTE-QGMBQPNBSA-N -1 0 594.220 6.149 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408850015 1070063358 /nfs/dbraw/zinc/06/33/58/1070063358.db2.gz CTQQMDYBOHAQNM-OQLLNIDSSA-N -1 0 539.271 6.539 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1Br ZINC000408850527 1070064461 /nfs/dbraw/zinc/06/44/61/1070064461.db2.gz BKHYBQIQIAHLAV-RVDMUPIBSA-N -1 0 549.277 5.995 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1C ZINC000408857996 1070068911 /nfs/dbraw/zinc/06/89/11/1070068911.db2.gz ONTZGKOIAXJSJI-KEBDBYFISA-N -1 0 663.160 6.836 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000408857674 1070068213 /nfs/dbraw/zinc/06/82/13/1070068213.db2.gz PHPGLCXADQMLHG-CXUHLZMHSA-N -1 0 612.752 6.749 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Cl)c1 ZINC000408865566 1070083347 /nfs/dbraw/zinc/08/33/47/1070083347.db2.gz CYRYGXXCJGCEII-VXLYETTFSA-N -1 0 530.205 6.013 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408866690 1070086084 /nfs/dbraw/zinc/08/60/84/1070086084.db2.gz HXOPJXKFRYJEBE-JLPGSUDCSA-N -1 0 509.543 5.158 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)ccc1Cl ZINC000408867616 1070088185 /nfs/dbraw/zinc/08/81/85/1070088185.db2.gz KUJZTCZULJUBOP-GRSHGNNSSA-N -1 0 500.891 5.112 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)c1C ZINC000408867818 1070088351 /nfs/dbraw/zinc/08/83/51/1070088351.db2.gz OBCYSBIBDSKDAG-FYJGNVAPSA-N -1 0 507.359 5.462 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408868227 1070089558 /nfs/dbraw/zinc/08/95/58/1070089558.db2.gz OJWAGRYSPPBGBI-PXNMLYILSA-N -1 0 641.220 5.991 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408868678 1070089881 /nfs/dbraw/zinc/08/98/81/1070089881.db2.gz APRDUQCGKXLNLJ-CIAFOILYSA-N -1 0 616.839 5.609 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408868723 1070089973 /nfs/dbraw/zinc/08/99/73/1070089973.db2.gz OEIVJGDJPXQHMJ-FSJBWODESA-N -1 0 567.867 6.375 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408868711 1070090053 /nfs/dbraw/zinc/09/00/53/1070090053.db2.gz AXDWSAUNUGJNES-DJKKODMXSA-N -1 0 513.352 5.707 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408868855 1070090220 /nfs/dbraw/zinc/09/02/20/1070090220.db2.gz PNLVIMMDSABTGI-LPYMAVHISA-N -1 0 583.866 6.157 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408870058 1070092635 /nfs/dbraw/zinc/09/26/35/1070092635.db2.gz VARNOOYZOCCZIX-ZVHZXABRSA-N -1 0 563.448 5.730 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(Cc2ccccc2Br)ccc2ccccc21 ZINC000408875208 1070092879 /nfs/dbraw/zinc/09/28/79/1070092879.db2.gz HHZZQTBTWACPMW-PXLXIMEGSA-N -1 0 580.265 7.166 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408870944 1070094708 /nfs/dbraw/zinc/09/47/08/1070094708.db2.gz WDNNMZMDCRKOGX-PCLIKHOPSA-N -1 0 516.981 5.391 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408879879 1070104786 /nfs/dbraw/zinc/10/47/86/1070104786.db2.gz HPWWJANFCCPSRY-YBFXNURJSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408880214 1070105841 /nfs/dbraw/zinc/10/58/41/1070105841.db2.gz GPIRWGLIQPZIJD-MTJSOVHGSA-N -1 0 551.462 5.485 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O ZINC000408876780 1070110328 /nfs/dbraw/zinc/11/03/28/1070110328.db2.gz NRQWYTJBJBJDRB-ZDLGFXPLSA-N -1 0 604.284 6.572 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2F)c(Br)c1 ZINC000408876541 1070110379 /nfs/dbraw/zinc/11/03/79/1070110379.db2.gz PWSKFVMTVOPOBK-RQZCQDPDSA-N -1 0 548.195 6.152 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3Br)C2=O)c(C)c1 ZINC000408877120 1070111383 /nfs/dbraw/zinc/11/13/83/1070111383.db2.gz PYPMVPQNCJMIPV-KGENOOAVSA-N -1 0 523.814 5.977 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408877485 1070111867 /nfs/dbraw/zinc/11/18/67/1070111867.db2.gz WGCOFHLARKSZPU-YDZHTSKRSA-N -1 0 502.998 5.839 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408877815 1070112738 /nfs/dbraw/zinc/11/27/38/1070112738.db2.gz UREWVJSUQCSLCJ-FYJGNVAPSA-N -1 0 539.813 5.758 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)c(C)c1 ZINC000408877560 1070112783 /nfs/dbraw/zinc/11/27/83/1070112783.db2.gz SHXOAIOMUIKYCO-FYJGNVAPSA-N -1 0 507.359 5.462 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Br)c3)C2=O)cc1C ZINC000408878127 1070113645 /nfs/dbraw/zinc/11/36/45/1070113645.db2.gz ZZLLVJVYWFTTKS-CIAFOILYSA-N -1 0 568.265 6.086 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408878688 1070115183 /nfs/dbraw/zinc/11/51/83/1070115183.db2.gz AHWDINDKEHCCOI-DJKKODMXSA-N -1 0 621.258 6.172 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1 ZINC000408883805 1070117569 /nfs/dbraw/zinc/11/75/69/1070117569.db2.gz VBJJLFDNFQQGJG-SRZZPIQSSA-N -1 0 539.813 5.965 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408883799 1070117616 /nfs/dbraw/zinc/11/76/16/1070117616.db2.gz UZDOQOOVUXEBMW-LDADJPATSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408885648 1070121796 /nfs/dbraw/zinc/12/17/96/1070121796.db2.gz DIQQXYPUCWOPNP-UDWIEESQSA-N -1 0 630.866 6.206 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408880615 1070122446 /nfs/dbraw/zinc/12/24/46/1070122446.db2.gz GEPKRTAHEJEERU-STBIYBPSSA-N -1 0 672.519 6.753 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3Cl)C2=O)cc1 ZINC000408880659 1070122551 /nfs/dbraw/zinc/12/25/51/1070122551.db2.gz HTGUUDJPSOOJFV-PXLXIMEGSA-N -1 0 567.823 5.536 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408888467 1070130217 /nfs/dbraw/zinc/13/02/17/1070130217.db2.gz VSHQKBDCDSKXFB-YBFXNURJSA-N -1 0 569.839 5.973 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)c1 ZINC000408888799 1070130254 /nfs/dbraw/zinc/13/02/54/1070130254.db2.gz AXEQIRMXAAGZBX-OEAKJJBVSA-N -1 0 519.395 5.620 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Cl)c3)C2=O)c(C)c1 ZINC000408882392 1070125904 /nfs/dbraw/zinc/12/59/04/1070125904.db2.gz NWHQDUIZQIIXDQ-UDWIEESQSA-N -1 0 523.814 5.977 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408882545 1070126908 /nfs/dbraw/zinc/12/69/08/1070126908.db2.gz QSVCWHCXYXCBEM-BKUYFWCQSA-N -1 0 641.418 5.406 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408882800 1070127713 /nfs/dbraw/zinc/12/77/13/1070127713.db2.gz SGYPPFCPPXOKOU-YDZHTSKRSA-N -1 0 577.475 6.327 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408889101 1070130811 /nfs/dbraw/zinc/13/08/11/1070130811.db2.gz DQFRKONWBSNTBE-HZHRSRAPSA-N -1 0 517.368 6.392 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000408889384 1070131036 /nfs/dbraw/zinc/13/10/36/1070131036.db2.gz FVLLDAXPMKMDSJ-UNOMPAQXSA-N -1 0 508.933 5.296 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408891154 1070133916 /nfs/dbraw/zinc/13/39/16/1070133916.db2.gz MISITSBSFGTPRU-PCLIKHOPSA-N -1 0 617.883 6.927 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891123 1070133940 /nfs/dbraw/zinc/13/39/40/1070133940.db2.gz LUNZQXFSXPEPGJ-UFFVCSGVSA-N -1 0 580.391 5.228 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408891605 1070138790 /nfs/dbraw/zinc/13/87/90/1070138790.db2.gz TXZSLJSMELMIPM-VCHYOVAHSA-N -1 0 556.756 5.256 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408894321 1070142881 /nfs/dbraw/zinc/14/28/81/1070142881.db2.gz CBHQFMHUXKFXMR-IWIPYMOSSA-N -1 0 638.471 6.180 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408894406 1070142908 /nfs/dbraw/zinc/14/29/08/1070142908.db2.gz CIZVXRKFJANHPG-UQQQWYQISA-N -1 0 514.578 5.428 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408894315 1070142952 /nfs/dbraw/zinc/14/29/52/1070142952.db2.gz HMZRMJRGAOFQLR-FSJBWODESA-N -1 0 504.970 5.519 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408894467 1070143559 /nfs/dbraw/zinc/14/35/59/1070143559.db2.gz CPGCTMURUNDFKL-IMRQLAEWSA-N -1 0 589.475 7.571 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895299 1070145279 /nfs/dbraw/zinc/14/52/79/1070145279.db2.gz DURNXIRDTCNDNW-ODLFYWEKSA-N -1 0 619.877 5.162 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408895750 1070147494 /nfs/dbraw/zinc/14/74/94/1070147494.db2.gz OCMSUUWVBDAUDQ-UDWIEESQSA-N -1 0 525.388 5.946 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408892153 1070152797 /nfs/dbraw/zinc/15/27/97/1070152797.db2.gz BLZDMKOSGCEOBI-VCHYOVAHSA-N -1 0 601.207 5.365 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408893484 1070156019 /nfs/dbraw/zinc/15/60/19/1070156019.db2.gz ATVZVYUODISRJD-KQWNVCNZSA-N -1 0 535.394 5.483 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408899888 1070161007 /nfs/dbraw/zinc/16/10/07/1070161007.db2.gz RMODGPWGAUQRCR-VXLYETTFSA-N -1 0 584.354 5.141 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408899386 1070157542 /nfs/dbraw/zinc/15/75/42/1070157542.db2.gz OWWNCYOIDSYOJJ-HAHDFKILSA-N -1 0 569.839 6.137 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)cc1 ZINC000408900188 1070161781 /nfs/dbraw/zinc/16/17/81/1070161781.db2.gz RVWIFRIAACCORU-KQWNVCNZSA-N -1 0 535.394 5.483 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408899667 1070159421 /nfs/dbraw/zinc/15/94/21/1070159421.db2.gz PSZWZGLKKNOCLT-OYKKKHCWSA-N -1 0 664.350 7.317 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000408899749 1070159996 /nfs/dbraw/zinc/15/99/96/1070159996.db2.gz QFDGYXULQHBUJZ-JLPGSUDCSA-N -1 0 535.394 5.483 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000408900833 1070164994 /nfs/dbraw/zinc/16/49/94/1070164994.db2.gz XXXSWZDYKOZQPL-OVVQPSECSA-N -1 0 522.532 5.650 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408900806 1070165036 /nfs/dbraw/zinc/16/50/36/1070165036.db2.gz VFAHPOZMJKXTNR-JLPGSUDCSA-N -1 0 518.997 6.073 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408900734 1070165116 /nfs/dbraw/zinc/16/51/16/1070165116.db2.gz UHEFIOYKJYUXOK-UUYOSTAYSA-N -1 0 597.893 6.672 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)c1 ZINC000408898907 1070176137 /nfs/dbraw/zinc/17/61/37/1070176137.db2.gz YHDNIZPIKSHXMB-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408898974 1070176913 /nfs/dbraw/zinc/17/69/13/1070176913.db2.gz NOISFVJHZPFMEC-ONUIUJJFSA-N -1 0 555.030 6.836 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408898100 1070173861 /nfs/dbraw/zinc/17/38/61/1070173861.db2.gz KNUWURXLKYSPOZ-BOPFTXTBSA-N -1 0 573.802 5.886 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OC(C)C ZINC000408898318 1070174046 /nfs/dbraw/zinc/17/40/46/1070174046.db2.gz KXUOWCOYOHMGQK-SXGWCWSVSA-N -1 0 613.246 5.214 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408904473 1070177391 /nfs/dbraw/zinc/17/73/91/1070177391.db2.gz KAMJILYGVKVFCX-LPYMAVHISA-N -1 0 535.394 5.931 40 10 KKCBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902980 1070184961 /nfs/dbraw/zinc/18/49/61/1070184961.db2.gz TUKWZTKXELZCRM-MDWZMJQESA-N -1 0 565.195 5.007 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 ZINC000408903606 1070187820 /nfs/dbraw/zinc/18/78/20/1070187820.db2.gz UFLSXOQKXLCVES-OEAKJJBVSA-N -1 0 557.404 5.017 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408903100 1070185696 /nfs/dbraw/zinc/18/56/96/1070185696.db2.gz PEDQKRCPIDZQBE-HMHNVIDESA-N -1 0 522.193 5.055 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408903404 1070186374 /nfs/dbraw/zinc/18/63/74/1070186374.db2.gz SWWIYFNPDVKJBO-RGVLZGJSSA-N -1 0 616.827 5.324 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408903559 1070187226 /nfs/dbraw/zinc/18/72/26/1070187226.db2.gz ZSJUAXBRGRJCBL-FYJGNVAPSA-N -1 0 526.433 6.132 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408912586 1070190078 /nfs/dbraw/zinc/19/00/78/1070190078.db2.gz RBZKITWQYBTLAC-SSDVNMTOSA-N -1 0 624.260 6.749 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408916779 1070222144 /nfs/dbraw/zinc/22/21/44/1070222144.db2.gz HIMHBCVVKBUTEV-OCKHKDLRSA-N -1 0 579.864 6.595 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408933840 1070267458 /nfs/dbraw/zinc/26/74/58/1070267458.db2.gz BOOODYBWDXJUHB-VEILYXNESA-N -1 0 538.987 6.164 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408934630 1070270253 /nfs/dbraw/zinc/27/02/53/1070270253.db2.gz FJYMPHGPLPRADO-RDRPBHBLSA-N -1 0 611.094 7.180 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935091 1070271904 /nfs/dbraw/zinc/27/19/04/1070271904.db2.gz GOXLHQUKRSSAOE-MFKUBSTISA-N -1 0 667.523 6.324 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000408936035 1070275035 /nfs/dbraw/zinc/27/50/35/1070275035.db2.gz JRFPAHHYOLKKNK-WOJGMQOQSA-N -1 0 518.850 5.743 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000408940013 1070284353 /nfs/dbraw/zinc/28/43/53/1070284353.db2.gz TVPQERYLHGLEFX-YZSQISJMSA-N -1 0 556.977 6.304 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408940668 1070286888 /nfs/dbraw/zinc/28/68/88/1070286888.db2.gz OKQLJYNVMCNVST-XDHOZWIPSA-N -1 0 512.305 5.147 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000408937307 1070291022 /nfs/dbraw/zinc/29/10/22/1070291022.db2.gz NWRQGTBAUSLWDW-YZSQISJMSA-N -1 0 556.977 6.304 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408937702 1070292143 /nfs/dbraw/zinc/29/21/43/1070292143.db2.gz JMUBSLBAKXCLEP-VXLYETTFSA-N -1 0 633.782 5.107 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000408938222 1070293558 /nfs/dbraw/zinc/29/35/58/1070293558.db2.gz PLFVOCLTIVVNGO-VEILYXNESA-N -1 0 538.987 6.164 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408942273 1070302242 /nfs/dbraw/zinc/30/22/42/1070302242.db2.gz YSSLDUOWEUUXRR-VULFUBBASA-N -1 0 625.867 7.610 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408945598 1070299993 /nfs/dbraw/zinc/29/99/93/1070299993.db2.gz WYFWREOSJIZDPX-XDHOZWIPSA-N -1 0 556.756 5.256 40 10 KKCBRM Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408949903 1070307168 /nfs/dbraw/zinc/30/71/68/1070307168.db2.gz SQGQRKRBENMWPT-UHFFFAOYSA-N -1 0 539.975 6.029 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408950398 1070308268 /nfs/dbraw/zinc/30/82/68/1070308268.db2.gz JUFNCPQDXDMYDZ-XODNFHPESA-N -1 0 767.458 7.776 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408953108 1070315871 /nfs/dbraw/zinc/31/58/71/1070315871.db2.gz OTBJGVUYMKYLDU-IPPBACCNSA-N -1 0 720.579 7.542 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408953997 1070316713 /nfs/dbraw/zinc/31/67/13/1070316713.db2.gz QTSBIEQMALVQRE-UFWORHAWSA-N -1 0 574.269 5.939 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408954576 1070318075 /nfs/dbraw/zinc/31/80/75/1070318075.db2.gz RPPBFBXHYOECAK-MUFRIFMGSA-N -1 0 567.085 7.053 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408956365 1070323456 /nfs/dbraw/zinc/32/34/56/1070323456.db2.gz WFCOPQJRKDPERT-FRKPEAEDSA-N -1 0 634.664 5.839 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408955976 1070322958 /nfs/dbraw/zinc/32/29/58/1070322958.db2.gz VKWIZGOXXJUPFC-CAOOACKPSA-N -1 0 634.266 6.129 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408955988 1070323087 /nfs/dbraw/zinc/32/30/87/1070323087.db2.gz VMBCUAFWLBMQLD-IPPBACCNSA-N -1 0 700.586 7.469 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C ZINC000408961055 1070326687 /nfs/dbraw/zinc/32/66/87/1070326687.db2.gz QMPHLEACIJILDO-KBVAKVRCSA-N -1 0 561.726 7.099 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408965562 1070331196 /nfs/dbraw/zinc/33/11/96/1070331196.db2.gz IVNDRSRPZWHWLB-NTEUORMPSA-N -1 0 506.298 5.132 40 10 KKCBRM CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2)cc1 ZINC000408969512 1070334299 /nfs/dbraw/zinc/33/42/99/1070334299.db2.gz PCZAMZHTQZSKKH-FDRCZSESSA-N -1 0 533.671 6.762 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1 ZINC000408983996 1070338425 /nfs/dbraw/zinc/33/84/25/1070338425.db2.gz PELMURGZEPCRHX-BKUYFWCQSA-N -1 0 570.358 5.238 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408982068 1070339410 /nfs/dbraw/zinc/33/94/10/1070339410.db2.gz FLUAXPZGHLHZOE-IUXPMGMMSA-N -1 0 550.225 6.854 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408982553 1070341109 /nfs/dbraw/zinc/34/11/09/1070341109.db2.gz HPLHCOOYKUXPFQ-NHDPSOOVSA-N -1 0 539.415 6.254 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000408983704 1070351470 /nfs/dbraw/zinc/35/14/70/1070351470.db2.gz HDFACZMTJIQEED-XYGWBWBKSA-N -1 0 508.534 5.135 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408984663 1070353262 /nfs/dbraw/zinc/35/32/62/1070353262.db2.gz SKCVNPQCCAZEDD-OYKKKHCWSA-N -1 0 589.873 7.064 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408991187 1070357747 /nfs/dbraw/zinc/35/77/47/1070357747.db2.gz NGCGDJNNQCPMGY-LICLKQGHSA-N -1 0 669.153 7.081 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1Cl ZINC000408990147 1070355464 /nfs/dbraw/zinc/35/54/64/1070355464.db2.gz MWZMWANICBIQHB-NDENLUEZSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408992375 1070360120 /nfs/dbraw/zinc/36/01/20/1070360120.db2.gz ATAUDSCJVOTDFX-YSMPRRRNSA-N -1 0 814.439 7.538 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408988703 1070360672 /nfs/dbraw/zinc/36/06/72/1070360672.db2.gz FNWHSTXWZVBZRL-KGENOOAVSA-N -1 0 524.558 5.577 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408992649 1070361913 /nfs/dbraw/zinc/36/19/13/1070361913.db2.gz UOJIQQQUHNBESG-JAIQZWGSSA-N -1 0 570.783 5.565 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408994262 1070370462 /nfs/dbraw/zinc/37/04/62/1070370462.db2.gz YRRPGDSPITWUIP-HZHRSRAPSA-N -1 0 665.778 7.056 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000409003583 1070385692 /nfs/dbraw/zinc/38/56/92/1070385692.db2.gz SYRIVKPILYEANN-MHWRWJLKSA-N -1 0 503.761 5.513 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409016231 1070396304 /nfs/dbraw/zinc/39/63/04/1070396304.db2.gz FQCPNPUVKYXKAP-GZTJUZNOSA-N -1 0 533.856 6.290 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409043275 1070448846 /nfs/dbraw/zinc/44/88/46/1070448846.db2.gz DQPPNGITBHXDME-VXLYETTFSA-N -1 0 669.551 6.873 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409045637 1070454579 /nfs/dbraw/zinc/45/45/79/1070454579.db2.gz ZXUGPSGYZLSNPU-UDWIEESQSA-N -1 0 551.813 7.045 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409045048 1070453185 /nfs/dbraw/zinc/45/31/85/1070453185.db2.gz XWCUESGMGGCPCH-LICLKQGHSA-N -1 0 608.645 6.250 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409046184 1070455232 /nfs/dbraw/zinc/45/52/32/1070455232.db2.gz JILKELPYFDSFMV-TURZUDJPSA-N -1 0 591.620 5.348 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000409047358 1070458848 /nfs/dbraw/zinc/45/88/48/1070458848.db2.gz MJQYUSQOZDWBFJ-VXLYETTFSA-N -1 0 665.132 6.228 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c1 ZINC000409048143 1070460940 /nfs/dbraw/zinc/46/09/40/1070460940.db2.gz QMPFSZUDQRFQKR-LPYMAVHISA-N -1 0 562.420 5.058 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409049057 1070462340 /nfs/dbraw/zinc/46/23/40/1070462340.db2.gz VSCZYIAMNNXSAJ-FRKPEAEDSA-N -1 0 554.188 6.685 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)C1=O ZINC000409067530 1070484036 /nfs/dbraw/zinc/48/40/36/1070484036.db2.gz FDBWJIAVISGFQE-VCHYOVAHSA-N -1 0 654.720 5.608 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081214 1070504242 /nfs/dbraw/zinc/50/42/42/1070504242.db2.gz NDPUEBLRZMDDQE-RIYZIHGNSA-N -1 0 689.622 7.251 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085262 1070511850 /nfs/dbraw/zinc/51/18/50/1070511850.db2.gz ZDAQUWJMEYMBIU-OQLLNIDSSA-N -1 0 566.275 6.379 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409078278 1070513512 /nfs/dbraw/zinc/51/35/12/1070513512.db2.gz HGBIOXBGVFIGTH-FRKPEAEDSA-N -1 0 591.747 6.230 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079729 1070515781 /nfs/dbraw/zinc/51/57/81/1070515781.db2.gz LZBTXVSDXPOGPG-MHWRWJLKSA-N -1 0 575.883 6.043 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409093107 1070517504 /nfs/dbraw/zinc/51/75/04/1070517504.db2.gz XPOGGBFIGLSKKQ-UCQKPKSFSA-N -1 0 557.400 5.856 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409088614 1070522165 /nfs/dbraw/zinc/52/21/65/1070522165.db2.gz FWYZIUDJYPOILK-VCHYOVAHSA-N -1 0 545.857 6.034 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091420 1070526477 /nfs/dbraw/zinc/52/64/77/1070526477.db2.gz QLGSLEJVXKNXDE-RQZCQDPDSA-N -1 0 591.882 5.830 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409097611 1070530870 /nfs/dbraw/zinc/53/08/70/1070530870.db2.gz MTUNABZQPNFGAK-WGOQTCKBSA-N -1 0 574.077 6.605 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000409141350 1070564613 /nfs/dbraw/zinc/56/46/13/1070564613.db2.gz HTJXDGLDLZUYJB-HYARGMPZSA-N -1 0 722.408 5.747 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148741 1070567391 /nfs/dbraw/zinc/56/73/91/1070567391.db2.gz RDBLHQXALFENNA-YDZHTSKRSA-N -1 0 657.945 6.540 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)c1C ZINC000409143356 1070571184 /nfs/dbraw/zinc/57/11/84/1070571184.db2.gz NAGCCAQXBQDYNM-LFIBNONCSA-N -1 0 515.816 5.811 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409150916 1070569507 /nfs/dbraw/zinc/56/95/07/1070569507.db2.gz DZMBUTDRJXKXDE-UNVFRBQDSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409167698 1070585658 /nfs/dbraw/zinc/58/56/58/1070585658.db2.gz JSEWDGDBJAGSGG-UAVUOLJFSA-N -1 0 609.731 8.522 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409192009 1070609834 /nfs/dbraw/zinc/60/98/34/1070609834.db2.gz SFUSOODKKUZLII-LFVJCYFKSA-N -1 0 576.621 5.653 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409192255 1070609896 /nfs/dbraw/zinc/60/98/96/1070609896.db2.gz BXJBDBPVTRUQTK-LFVJCYFKSA-N -1 0 627.919 6.531 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409196114 1070615834 /nfs/dbraw/zinc/61/58/34/1070615834.db2.gz SZOVSCIADGBYMZ-WSDLNYQXSA-N -1 0 601.458 6.561 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409194608 1070613497 /nfs/dbraw/zinc/61/34/97/1070613497.db2.gz PRMNSCFAKFIFEB-OEAKJJBVSA-N -1 0 611.464 6.017 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409225824 1070643985 /nfs/dbraw/zinc/64/39/85/1070643985.db2.gz LSDNEJHBGMHDIS-CXUHLZMHSA-N -1 0 568.301 6.640 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226365 1070644019 /nfs/dbraw/zinc/64/40/19/1070644019.db2.gz VJTGWLRQUGFQSS-SRZZPIQSSA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409218065 1070641033 /nfs/dbraw/zinc/64/10/33/1070641033.db2.gz CNUPTBKQHQFCDJ-CVKSISIWSA-N -1 0 630.484 6.565 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219615 1070642396 /nfs/dbraw/zinc/64/23/96/1070642396.db2.gz SIDXNOPEYDSXMP-JVWAILMASA-N -1 0 751.961 6.606 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223168 1070650297 /nfs/dbraw/zinc/65/02/97/1070650297.db2.gz FHXZXDHTLPUZJA-KEBDBYFISA-N -1 0 643.834 5.093 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)o2)c(Br)c1 ZINC000409240952 1070654105 /nfs/dbraw/zinc/65/41/05/1070654105.db2.gz VSJIXHQQYKRZNK-GZTJUZNOSA-N -1 0 544.199 5.755 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409256063 1070675314 /nfs/dbraw/zinc/67/53/14/1070675314.db2.gz NSHCNUFKFABPQO-PXNMLYILSA-N -1 0 678.677 5.457 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409258809 1070680436 /nfs/dbraw/zinc/68/04/36/1070680436.db2.gz XRZPYZPCFXJURM-SRZZPIQSSA-N -1 0 596.467 6.001 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1OCC ZINC000409257974 1070679105 /nfs/dbraw/zinc/67/91/05/1070679105.db2.gz VPXDSOZUYZUKEV-HYARGMPZSA-N -1 0 666.525 5.638 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000409258405 1070679865 /nfs/dbraw/zinc/67/98/65/1070679865.db2.gz TYXRGZNFLWIWRF-MOSHPQCFSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000409253714 1070686733 /nfs/dbraw/zinc/68/67/33/1070686733.db2.gz GNNIZDCCQKMHLR-DEDYPNTBSA-N -1 0 598.439 5.475 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000409254138 1070687370 /nfs/dbraw/zinc/68/73/70/1070687370.db2.gz DEEFEOBTAKVUIC-JAIQZWGSSA-N -1 0 643.288 5.218 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409264236 1070687697 /nfs/dbraw/zinc/68/76/97/1070687697.db2.gz NZVWONHCJTXMJM-VXLYETTFSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409265564 1070688962 /nfs/dbraw/zinc/68/89/62/1070688962.db2.gz TYENSSGWZWHTIE-USHMODERSA-N -1 0 561.594 5.258 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1 ZINC000409265523 1070689025 /nfs/dbraw/zinc/68/90/25/1070689025.db2.gz VIQRCEPPYSWKSV-YBFXNURJSA-N -1 0 643.288 5.213 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC ZINC000409265415 1070689130 /nfs/dbraw/zinc/68/91/30/1070689130.db2.gz IDXCRCOUMKXPNZ-HAHDFKILSA-N -1 0 592.048 5.438 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409259361 1070681176 /nfs/dbraw/zinc/68/11/76/1070681176.db2.gz ZATUCMWAKFQYIX-SSDVNMTOSA-N -1 0 640.918 6.110 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1Cl ZINC000409251526 1070681962 /nfs/dbraw/zinc/68/19/62/1070681962.db2.gz PJYVWZSJOFBCJW-UQQQWYQISA-N -1 0 616.457 6.256 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1Cl ZINC000409252607 1070684710 /nfs/dbraw/zinc/68/47/10/1070684710.db2.gz UDMAHHRXMPZTHK-IWIPYMOSSA-N -1 0 739.804 7.128 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)c1C ZINC000409267851 1070692584 /nfs/dbraw/zinc/69/25/84/1070692584.db2.gz PHSJEMJLENBXSP-ODLFYWEKSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000409267912 1070692729 /nfs/dbraw/zinc/69/27/29/1070692729.db2.gz PWZIBLDOABLAJL-JMIUGGIZSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1C ZINC000409268836 1070694295 /nfs/dbraw/zinc/69/42/95/1070694295.db2.gz BGKPYBVTUDOHRT-UNOMPAQXSA-N -1 0 552.414 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1OCC ZINC000409262733 1070699132 /nfs/dbraw/zinc/69/91/32/1070699132.db2.gz GTXXMRPASNUTPV-LPYMAVHISA-N -1 0 729.422 6.700 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OCC ZINC000409263460 1070700010 /nfs/dbraw/zinc/70/00/10/1070700010.db2.gz KZAZJBODGPPGFI-LFVJCYFKSA-N -1 0 601.656 5.183 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O ZINC000409263278 1070700052 /nfs/dbraw/zinc/70/00/52/1070700052.db2.gz KHKVQYHWCGFTHG-GIJQJNRQSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)c(C)c1 ZINC000409273245 1070712009 /nfs/dbraw/zinc/71/20/09/1070712009.db2.gz WOXPROPYXIHEHH-CEUNXORHSA-N -1 0 575.621 5.566 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409271450 1070708532 /nfs/dbraw/zinc/70/85/32/1070708532.db2.gz LBXJPKVFMVRCRK-LPYMAVHISA-N -1 0 671.342 5.911 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1Cl ZINC000409271954 1070709473 /nfs/dbraw/zinc/70/94/73/1070709473.db2.gz WRDKFELWZSLNOJ-CIAFOILYSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1Cl ZINC000409273601 1070713109 /nfs/dbraw/zinc/71/31/09/1070713109.db2.gz ZJNASCHDPKLUDN-SOFYXZRVSA-N -1 0 716.597 7.164 40 10 KKCBRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)cc1Cl ZINC000409275987 1070720757 /nfs/dbraw/zinc/72/07/57/1070720757.db2.gz NQIHYEANYIKEFI-SSDVNMTOSA-N -1 0 539.997 5.129 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408881130 1070784053 /nfs/dbraw/zinc/78/40/53/1070784053.db2.gz JRTAKTVNNVMJSO-WQRHYEAKSA-N -1 0 557.803 5.898 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408880097 1070789982 /nfs/dbraw/zinc/78/99/82/1070789982.db2.gz HDCVILMRPBWMRQ-VCHYOVAHSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408880839 1070785719 /nfs/dbraw/zinc/78/57/19/1070785719.db2.gz HQZIEICFFAOQSR-VXLYETTFSA-N -1 0 543.776 5.507 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408880671 1070786358 /nfs/dbraw/zinc/78/63/58/1070786358.db2.gz HVFAVLDDQDAKLA-MOSHPQCFSA-N -1 0 572.278 5.622 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408880510 1070787488 /nfs/dbraw/zinc/78/74/88/1070787488.db2.gz KGLYDNUQFFWELW-WSDLNYQXSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408879570 1070794010 /nfs/dbraw/zinc/79/40/10/1070794010.db2.gz BVPCHZPTAFPERH-YZSQISJMSA-N -1 0 526.589 5.136 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408879385 1070794068 /nfs/dbraw/zinc/79/40/68/1070794068.db2.gz FYFDFCNHAZUETE-WSDLNYQXSA-N -1 0 553.840 6.273 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408879447 1070794851 /nfs/dbraw/zinc/79/48/51/1070794851.db2.gz DMANZXZCHKYNJV-WSDLNYQXSA-N -1 0 509.389 6.164 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408879017 1070797536 /nfs/dbraw/zinc/79/75/36/1070797536.db2.gz CGZIERPCKWZNSQ-SRZZPIQSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408878811 1070798188 /nfs/dbraw/zinc/79/81/88/1070798188.db2.gz CCGXIMQWFOZADB-RGVLZGJSSA-N -1 0 604.803 5.740 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408878255 1070801565 /nfs/dbraw/zinc/80/15/65/1070801565.db2.gz YZKXVHRBGIKIJU-YBFXNURJSA-N -1 0 525.786 5.368 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408878112 1070802141 /nfs/dbraw/zinc/80/21/41/1070802141.db2.gz ZWFYJLVAJXNWKT-CIAFOILYSA-N -1 0 659.318 6.326 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000408877683 1070806461 /nfs/dbraw/zinc/80/64/61/1070806461.db2.gz SXXPZMXWAPBZMY-JCMHNJIXSA-N -1 0 500.913 5.878 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408877491 1070808034 /nfs/dbraw/zinc/80/80/34/1070808034.db2.gz RWZZYIARPJVPMZ-KEBDBYFISA-N -1 0 618.830 6.048 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408877365 1070808221 /nfs/dbraw/zinc/80/82/21/1070808221.db2.gz VJUYAQLNTPBGMY-UDWIEESQSA-N -1 0 509.389 5.958 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3Br)cc2)C1=O ZINC000408877282 1070808489 /nfs/dbraw/zinc/80/84/89/1070808489.db2.gz UEEQPJQYOBFGGA-XMHGGMMESA-N -1 0 509.787 5.668 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408888915 1070811128 /nfs/dbraw/zinc/81/11/28/1070811128.db2.gz CUHGMSZOVGLMSC-WPWMEQJKSA-N -1 0 569.013 6.173 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408888123 1070815616 /nfs/dbraw/zinc/81/56/16/1070815616.db2.gz XBCHGPBWGOYQGL-YBFXNURJSA-N -1 0 569.839 5.973 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C1=O ZINC000408890908 1070822121 /nfs/dbraw/zinc/82/21/21/1070822121.db2.gz IHLZTOGXEUDURH-UYRXBGFRSA-N -1 0 523.358 5.396 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408897212 1070824240 /nfs/dbraw/zinc/82/42/40/1070824240.db2.gz IHFDZORBNYSCGS-HAHDFKILSA-N -1 0 626.447 5.724 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccccc2F)c1 ZINC000408897246 1070824785 /nfs/dbraw/zinc/82/47/85/1070824785.db2.gz IOUCFZAECKSAGQ-NDENLUEZSA-N -1 0 539.357 5.151 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000408896622 1070829751 /nfs/dbraw/zinc/82/97/51/1070829751.db2.gz GPJBCRFDGXDGHU-UCQKPKSFSA-N -1 0 589.873 7.118 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408896637 1070830228 /nfs/dbraw/zinc/83/02/28/1070830228.db2.gz GSRYQLYZUGIBRI-HMAPJEAMSA-N -1 0 519.395 5.620 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409329158 1070830583 /nfs/dbraw/zinc/83/05/83/1070830583.db2.gz DDKPBQDHFLHGFD-YBFXNURJSA-N -1 0 579.494 5.784 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3c(C)ccc4ccccc43)C2=O)ccc1Br ZINC000408896663 1070830851 /nfs/dbraw/zinc/83/08/51/1070830851.db2.gz HAOBMZDAKKONHO-JLPGSUDCSA-N -1 0 555.428 6.465 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S)c1cccs1 ZINC000409329744 1070832544 /nfs/dbraw/zinc/83/25/44/1070832544.db2.gz HQQLSVVZZSVISY-MTJSOVHGSA-N -1 0 510.065 5.951 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408896477 1070833070 /nfs/dbraw/zinc/83/30/70/1070833070.db2.gz KXTPROZKOZUFJM-GRSHGNNSSA-N -1 0 634.708 6.427 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)cc1N1CCCC[C@@H]1C ZINC000409331372 1070834843 /nfs/dbraw/zinc/83/48/43/1070834843.db2.gz CAANCQSKAFKEMZ-DENSEHQSSA-N -1 0 580.085 6.510 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Br)C2=O)c1 ZINC000408896013 1070836713 /nfs/dbraw/zinc/83/67/13/1070836713.db2.gz MLEDZYQQBMNEFQ-XSFVSMFZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1 ZINC000408896042 1070836842 /nfs/dbraw/zinc/83/68/42/1070836842.db2.gz GLXDORFDIWYGOV-IMRQLAEWSA-N -1 0 551.555 5.782 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408895826 1070838915 /nfs/dbraw/zinc/83/89/15/1070838915.db2.gz FTXFORZULSTKPN-QRVIBDJDSA-N -1 0 619.899 7.127 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408896076 1070837705 /nfs/dbraw/zinc/83/77/05/1070837705.db2.gz GOONTLXERSTBIV-MYYYXRDXSA-N -1 0 563.050 6.390 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408895931 1070839378 /nfs/dbraw/zinc/83/93/78/1070839378.db2.gz GEQUOUFWNGEILX-IWIPYMOSSA-N -1 0 685.471 6.022 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000408895287 1070846687 /nfs/dbraw/zinc/84/66/87/1070846687.db2.gz DQCPXCQKVRHAFR-HMAPJEAMSA-N -1 0 535.940 5.282 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408895312 1070847250 /nfs/dbraw/zinc/84/72/50/1070847250.db2.gz DYSSONJFIZODOT-IWIPYMOSSA-N -1 0 627.919 6.926 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408895508 1070846139 /nfs/dbraw/zinc/84/61/39/1070846139.db2.gz HYHWZSJAWDQMBT-BKUYFWCQSA-N -1 0 569.839 6.055 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000408894480 1070855409 /nfs/dbraw/zinc/85/54/09/1070855409.db2.gz CRCDMKDNGWOWDK-HMAPJEAMSA-N -1 0 535.940 5.282 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000408894729 1070851918 /nfs/dbraw/zinc/85/19/18/1070851918.db2.gz JAECAXLQKXWIPB-LICLKQGHSA-N -1 0 565.818 5.389 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408894737 1070852138 /nfs/dbraw/zinc/85/21/38/1070852138.db2.gz FMQQXPDSRCKVTI-MTJSOVHGSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408894587 1070854125 /nfs/dbraw/zinc/85/41/25/1070854125.db2.gz IJSSTKPSYVYTEW-UDWIEESQSA-N -1 0 666.877 5.086 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408894444 1070856089 /nfs/dbraw/zinc/85/60/89/1070856089.db2.gz ICHLQTFXBKDJJK-VCHYOVAHSA-N -1 0 546.204 6.001 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408894093 1070857597 /nfs/dbraw/zinc/85/75/97/1070857597.db2.gz DJUGTBYXYXGQIL-NVMNQCDNSA-N -1 0 638.729 7.362 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408893555 1070863231 /nfs/dbraw/zinc/86/32/31/1070863231.db2.gz BCZMIBHARCTQPK-JCMHNJIXSA-N -1 0 569.839 6.137 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408893408 1070865152 /nfs/dbraw/zinc/86/51/52/1070865152.db2.gz ADDUCNOXUFPWIA-OYKKKHCWSA-N -1 0 640.474 5.951 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cc(C)cc(C)c2)C1=O ZINC000408893223 1070866053 /nfs/dbraw/zinc/86/60/53/1070866053.db2.gz DCDGLKFTABMGNC-HAHDFKILSA-N -1 0 533.422 5.874 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)c1 ZINC000408892329 1070871792 /nfs/dbraw/zinc/87/17/92/1070871792.db2.gz ANFGWCOBPVAEEE-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408892579 1070871935 /nfs/dbraw/zinc/87/19/35/1070871935.db2.gz CQNKUEFSHLRJDN-LFVJCYFKSA-N -1 0 512.949 5.747 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408892933 1070868179 /nfs/dbraw/zinc/86/81/79/1070868179.db2.gz ARZMZGZMGLBJFD-GRSHGNNSSA-N -1 0 600.809 5.573 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409350279 1070868202 /nfs/dbraw/zinc/86/82/02/1070868202.db2.gz XHDZCXMBPKGOPV-SRZZPIQSSA-N -1 0 565.525 6.579 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408892930 1070868330 /nfs/dbraw/zinc/86/83/30/1070868330.db2.gz AQWIWJCASITINQ-MTJSOVHGSA-N -1 0 628.317 6.473 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408892790 1070870524 /nfs/dbraw/zinc/87/05/24/1070870524.db2.gz CMCNDGCGYGYHOG-WOJGMQOQSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408891768 1070875731 /nfs/dbraw/zinc/87/57/31/1070875731.db2.gz VBNSFQSZSXLCJD-SSDVNMTOSA-N -1 0 644.893 6.514 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)c(C)c1 ZINC000408891100 1070879981 /nfs/dbraw/zinc/87/99/81/1070879981.db2.gz LKXMNGIQYKEMDI-DEDYPNTBSA-N -1 0 584.264 6.074 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408891068 1070880232 /nfs/dbraw/zinc/88/02/32/1070880232.db2.gz KTYPBBVRZAZZBJ-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408890579 1070882098 /nfs/dbraw/zinc/88/20/98/1070882098.db2.gz VXAVUZFFNIJGEG-WGOQTCKBSA-N -1 0 661.936 7.326 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408889937 1070886691 /nfs/dbraw/zinc/88/66/91/1070886691.db2.gz LJLHRFJQXLYJMO-UDWIEESQSA-N -1 0 677.289 5.706 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408889385 1070889980 /nfs/dbraw/zinc/88/99/80/1070889980.db2.gz FVRMYKMCUMPSAW-DEDYPNTBSA-N -1 0 539.813 5.910 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408889564 1070887290 /nfs/dbraw/zinc/88/72/90/1070887290.db2.gz FHROJRMISMBOND-XKZIYDEJSA-N -1 0 612.489 5.717 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccccc2Br)c1 ZINC000408889635 1070887847 /nfs/dbraw/zinc/88/78/47/1070887847.db2.gz IEFUUZSYRXGVNR-FYJGNVAPSA-N -1 0 535.394 5.320 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408889515 1070888939 /nfs/dbraw/zinc/88/89/39/1070888939.db2.gz DLYRXIWXHWCXJR-KOEQRZSOSA-N -1 0 526.976 6.137 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381547 1070899151 /nfs/dbraw/zinc/89/91/51/1070899151.db2.gz GHPYQRNCCRTWMD-FYJGNVAPSA-N -1 0 598.462 5.273 40 10 KKCBRM O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S ZINC000409370464 1070893603 /nfs/dbraw/zinc/89/36/03/1070893603.db2.gz RGKZHQUOQDGGSH-ACAGNQJTSA-N -1 0 509.223 5.944 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409382007 1070899578 /nfs/dbraw/zinc/89/95/78/1070899578.db2.gz JTMWWOLEQQJFLT-HYARGMPZSA-N -1 0 535.463 5.730 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409377661 1070904439 /nfs/dbraw/zinc/90/44/39/1070904439.db2.gz JYMCOQBGRBIURG-KEBDBYFISA-N -1 0 575.901 6.628 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408903350 1070904804 /nfs/dbraw/zinc/90/48/04/1070904804.db2.gz RJHTUOGKNSQMRW-LPYMAVHISA-N -1 0 577.822 5.362 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1 ZINC000409398855 1070912379 /nfs/dbraw/zinc/91/23/79/1070912379.db2.gz DXCNRDBMLLRAOO-UYRXBGFRSA-N -1 0 527.802 5.542 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Br)cc1Br ZINC000409399057 1070912516 /nfs/dbraw/zinc/91/25/16/1070912516.db2.gz FNSPYVRORJXCNI-MFOYZWKCSA-N -1 0 716.018 6.786 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1 ZINC000409399640 1070913830 /nfs/dbraw/zinc/91/38/30/1070913830.db2.gz LBEMKRUIIXTIEB-ODLFYWEKSA-N -1 0 573.197 5.160 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408902057 1070915339 /nfs/dbraw/zinc/91/53/39/1070915339.db2.gz FAHSFTRSTMCFQK-VXLYETTFSA-N -1 0 647.251 5.043 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1 ZINC000408901664 1070916634 /nfs/dbraw/zinc/91/66/34/1070916634.db2.gz ZNDYHUXXBFNYMK-UYRXBGFRSA-N -1 0 531.403 5.092 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Br)C2=O)ccc1Br ZINC000408901518 1070918233 /nfs/dbraw/zinc/91/82/33/1070918233.db2.gz YLFQLFSTKZASFG-UYRXBGFRSA-N -1 0 570.237 5.765 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408901530 1070918292 /nfs/dbraw/zinc/91/82/92/1070918292.db2.gz YOFONPAGAYMFNX-JCMHNJIXSA-N -1 0 618.311 7.180 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408901762 1070918320 /nfs/dbraw/zinc/91/83/20/1070918320.db2.gz ZUVKCYBSECGKBZ-ZDLGFXPLSA-N -1 0 726.159 6.379 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C ZINC000408901376 1070920535 /nfs/dbraw/zinc/92/05/35/1070920535.db2.gz XNWUHLDBPBUHQD-XKZIYDEJSA-N -1 0 598.291 6.382 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408901432 1070921156 /nfs/dbraw/zinc/92/11/56/1070921156.db2.gz XZLDEZAJVGOEJK-XYGWBWBKSA-N -1 0 514.578 5.346 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408901306 1070922629 /nfs/dbraw/zinc/92/26/29/1070922629.db2.gz XBKVDUPMLUDYAQ-NHDPSOOVSA-N -1 0 628.317 6.391 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408900848 1070927865 /nfs/dbraw/zinc/92/78/65/1070927865.db2.gz YBEKDYZCODISNN-HZHRSRAPSA-N -1 0 561.819 6.501 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408901097 1070923679 /nfs/dbraw/zinc/92/36/79/1070923679.db2.gz VLTBSUZRHVJTRE-HMAPJEAMSA-N -1 0 612.420 5.334 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Br ZINC000408900897 1070927990 /nfs/dbraw/zinc/92/79/90/1070927990.db2.gz YTIHKGPOGSTSMI-CPNJWEJPSA-N -1 0 556.210 5.457 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408901139 1070924297 /nfs/dbraw/zinc/92/42/97/1070924297.db2.gz WFVBLLZLEZAIFD-UQQQWYQISA-N -1 0 514.578 5.428 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)c1 ZINC000408901115 1070924351 /nfs/dbraw/zinc/92/43/51/1070924351.db2.gz VVMZNPVGTFKFTR-WGOQTCKBSA-N -1 0 521.529 5.610 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408901135 1070924472 /nfs/dbraw/zinc/92/44/72/1070924472.db2.gz WFCAXAYWFAGVLX-OYKKKHCWSA-N -1 0 725.377 7.468 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408900788 1070927302 /nfs/dbraw/zinc/92/73/02/1070927302.db2.gz VASUBPARMGRFDE-XKZIYDEJSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408900661 1070928701 /nfs/dbraw/zinc/92/87/01/1070928701.db2.gz XIJJEPUPTCTCTB-MTDXEUNCSA-N -1 0 520.585 6.101 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OC(C)C ZINC000408900725 1070929239 /nfs/dbraw/zinc/92/92/39/1070929239.db2.gz UEPZGJPLOIDXKO-SXGWCWSVSA-N -1 0 521.795 5.263 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)c(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408900762 1070930177 /nfs/dbraw/zinc/93/01/77/1070930177.db2.gz UQMKKTCHTNICGT-CEUNXORHSA-N -1 0 534.612 6.491 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000408900554 1070931428 /nfs/dbraw/zinc/93/14/28/1070931428.db2.gz WAQLOQWPOOMZEE-VCHYOVAHSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)ccc1Br ZINC000408900119 1070938120 /nfs/dbraw/zinc/93/81/20/1070938120.db2.gz RPMSXGCECFSJGO-ODLFYWEKSA-N -1 0 560.231 6.310 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408900145 1070938163 /nfs/dbraw/zinc/93/81/63/1070938163.db2.gz RRPGYICTCKYIQG-HMAPJEAMSA-N -1 0 525.388 6.028 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408900171 1070938561 /nfs/dbraw/zinc/93/85/61/1070938561.db2.gz RVAPIYHSZSOBRJ-HAHDFKILSA-N -1 0 626.447 5.724 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408900191 1070938746 /nfs/dbraw/zinc/93/87/46/1070938746.db2.gz RWFBIRJCMPSHHW-UCQKPKSFSA-N -1 0 579.447 5.800 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408900179 1070938916 /nfs/dbraw/zinc/93/89/16/1070938916.db2.gz TXPJBOQIJHQBQL-RGVLZGJSSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408900477 1070934710 /nfs/dbraw/zinc/93/47/10/1070934710.db2.gz YQBAZUMMPOQYRR-JAIQZWGSSA-N -1 0 679.280 6.145 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408900089 1070937217 /nfs/dbraw/zinc/93/72/17/1070937217.db2.gz RLWRBSHUCPDYIJ-HMAPJEAMSA-N -1 0 519.395 5.620 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408899546 1070944216 /nfs/dbraw/zinc/94/42/16/1070944216.db2.gz QFSGQGQXTHKLCF-DJKKODMXSA-N -1 0 559.833 6.518 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408899526 1070944251 /nfs/dbraw/zinc/94/42/51/1070944251.db2.gz QAXHKUCXFGVFOY-XDHOZWIPSA-N -1 0 661.290 6.006 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408899426 1070946451 /nfs/dbraw/zinc/94/64/51/1070946451.db2.gz UIDPPAZULDNOCG-GRSHGNNSSA-N -1 0 590.257 6.318 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408899764 1070940975 /nfs/dbraw/zinc/94/09/75/1070940975.db2.gz QSICKNCHQJNBDI-YBFXNURJSA-N -1 0 508.933 5.350 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408899809 1070941663 /nfs/dbraw/zinc/94/16/63/1070941663.db2.gz QVIGPUVBSJUSSF-WOJGMQOQSA-N -1 0 501.753 5.892 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408899626 1070942367 /nfs/dbraw/zinc/94/23/67/1070942367.db2.gz PNAWGRGAVUWQCY-NHDPSOOVSA-N -1 0 583.866 6.282 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408899295 1070947755 /nfs/dbraw/zinc/94/77/55/1070947755.db2.gz OCRCNAICNZLMEQ-UUYOSTAYSA-N -1 0 689.344 6.623 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408899284 1070948010 /nfs/dbraw/zinc/94/80/10/1070948010.db2.gz NZAIGUWXBADRSF-YDZHTSKRSA-N -1 0 606.473 5.457 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898933 1070950508 /nfs/dbraw/zinc/95/05/08/1070950508.db2.gz NFVDPDNNFKUQKP-UCQKPKSFSA-N -1 0 705.343 6.487 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C ZINC000408899000 1070951365 /nfs/dbraw/zinc/95/13/65/1070951365.db2.gz NUPIIEOIKKESEQ-XKZIYDEJSA-N -1 0 553.840 6.273 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408898589 1070955964 /nfs/dbraw/zinc/95/59/64/1070955964.db2.gz XFXVPJMSTGSAOT-SRZZPIQSSA-N -1 0 525.388 5.864 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408898366 1070957681 /nfs/dbraw/zinc/95/76/81/1070957681.db2.gz LSAJAWHJCXOYMO-JLPGSUDCSA-N -1 0 549.421 5.792 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898357 1070957747 /nfs/dbraw/zinc/95/77/47/1070957747.db2.gz LPSFJRDRNUDPOX-UCQKPKSFSA-N -1 0 658.343 6.645 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408898405 1070958289 /nfs/dbraw/zinc/95/82/89/1070958289.db2.gz MBTWVWGSBXZFNJ-QQXSKIMKSA-N -1 0 662.480 6.487 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C1=O ZINC000408898175 1070958321 /nfs/dbraw/zinc/95/83/21/1070958321.db2.gz OZLOVBYSKVBRON-IWIPYMOSSA-N -1 0 620.297 6.919 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408897931 1070962965 /nfs/dbraw/zinc/96/29/65/1070962965.db2.gz JPXPLGDTNFQUMW-ZDLGFXPLSA-N -1 0 726.159 6.379 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408897983 1070963603 /nfs/dbraw/zinc/96/36/03/1070963603.db2.gz KCOQUGAOBHHBOB-ODLFYWEKSA-N -1 0 587.829 6.194 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408897999 1070963706 /nfs/dbraw/zinc/96/37/06/1070963706.db2.gz KFRQGIMEUAPVJE-OYKKKHCWSA-N -1 0 678.377 7.626 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408897985 1070963785 /nfs/dbraw/zinc/96/37/85/1070963785.db2.gz KDCGEUAEUSMIIK-MYYYXRDXSA-N -1 0 571.427 6.165 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408897822 1070964311 /nfs/dbraw/zinc/96/43/11/1070964311.db2.gz ZSAIONKZZQKSRF-VXLYETTFSA-N -1 0 559.833 6.599 40 10 KKCBRM Cc1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408897838 1070965200 /nfs/dbraw/zinc/96/52/00/1070965200.db2.gz OLZWLDBCPBGHFK-BKUYFWCQSA-N -1 0 539.813 5.965 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408897353 1070968517 /nfs/dbraw/zinc/96/85/17/1070968517.db2.gz IZGWVNDBAVYNRT-YBEGLDIGSA-N -1 0 566.246 5.374 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408897347 1070968538 /nfs/dbraw/zinc/96/85/38/1070968538.db2.gz MRVFGKFHRFVIPF-GRSHGNNSSA-N -1 0 639.127 7.072 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408897378 1070969214 /nfs/dbraw/zinc/96/92/14/1070969214.db2.gz JCIQYXLHVPOAGW-HMAPJEAMSA-N -1 0 553.384 5.622 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408917214 1070993042 /nfs/dbraw/zinc/99/30/42/1070993042.db2.gz OZUZTUCYSCJNNQ-NDENLUEZSA-N -1 0 602.425 5.239 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000408914490 1071013228 /nfs/dbraw/zinc/01/32/28/1071013228.db2.gz YCNSYCDRIGHINV-JVWAILMASA-N -1 0 509.537 5.479 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408912298 1071025091 /nfs/dbraw/zinc/02/50/91/1071025091.db2.gz FBIMJNZOOZISBI-COEJQBHMSA-N -1 0 599.618 6.794 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408917429 1071145977 /nfs/dbraw/zinc/14/59/77/1071145977.db2.gz UHGQAGXNTWEVHF-JAIQZWGSSA-N -1 0 634.321 6.160 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408934188 1071201860 /nfs/dbraw/zinc/20/18/60/1071201860.db2.gz CUZMGMIDORGSPQ-PDGQHHTCSA-N -1 0 564.925 5.101 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408934181 1071201931 /nfs/dbraw/zinc/20/19/31/1071201931.db2.gz CTGPEVOLMVLCGO-YVLHZVERSA-N -1 0 569.750 6.911 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Br)c1 ZINC000408937252 1071203177 /nfs/dbraw/zinc/20/31/77/1071203177.db2.gz NOYWZMANFYDIFO-LQKURTRISA-N -1 0 645.937 7.544 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408936862 1071205324 /nfs/dbraw/zinc/20/53/24/1071205324.db2.gz LFAAVMLLVBFQJW-WGOQTCKBSA-N -1 0 652.328 7.580 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408936480 1071210991 /nfs/dbraw/zinc/21/09/91/1071210991.db2.gz KJYRNJARNOTTGS-VUTHCHCSSA-N -1 0 607.037 7.457 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408936537 1071211574 /nfs/dbraw/zinc/21/15/74/1071211574.db2.gz KWZNGNPLCKIRIO-JAIQZWGSSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1cc(C)cc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)c2)c1 ZINC000408935558 1071221080 /nfs/dbraw/zinc/22/10/80/1071221080.db2.gz HUVIGHJMXPISEC-MWLSYYOVSA-N -1 0 601.486 7.435 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000408935478 1071223351 /nfs/dbraw/zinc/22/33/51/1071223351.db2.gz HGZUPKBCYBHDEA-DEDYPNTBSA-N -1 0 511.759 5.348 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408935161 1071226146 /nfs/dbraw/zinc/22/61/46/1071226146.db2.gz HAKJGJXSZIUBHT-JFLMPSFJSA-N -1 0 631.512 7.443 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408934900 1071229763 /nfs/dbraw/zinc/22/97/63/1071229763.db2.gz BQBQLWANUTYROT-VCHYOVAHSA-N -1 0 586.782 5.265 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408934249 1071235609 /nfs/dbraw/zinc/23/56/09/1071235609.db2.gz DIKYQJBBFVNPFT-DHRITJCHSA-N -1 0 746.419 7.086 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2Cl)c1 ZINC000408933859 1071238090 /nfs/dbraw/zinc/23/80/90/1071238090.db2.gz BTYVIAOGHQJSDP-GRSHGNNSSA-N -1 0 563.359 6.874 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408933903 1071238976 /nfs/dbraw/zinc/23/89/76/1071238976.db2.gz CCDWOBVKMUYGKJ-BKUYFWCQSA-N -1 0 511.759 5.348 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000408933609 1071241433 /nfs/dbraw/zinc/24/14/33/1071241433.db2.gz BBIATWIYWAAQEH-PKAZHMFMSA-N -1 0 556.977 6.304 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408946647 1071266406 /nfs/dbraw/zinc/26/64/06/1071266406.db2.gz ZANXROZKEUHTRP-LPYMAVHISA-N -1 0 505.914 5.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408940301 1071317726 /nfs/dbraw/zinc/31/77/26/1071317726.db2.gz UULIJISTGAPLBO-STBIYBPSSA-N -1 0 597.067 6.790 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408940167 1071319264 /nfs/dbraw/zinc/31/92/64/1071319264.db2.gz ULVXEZAKGFIXCN-VXLYETTFSA-N -1 0 562.203 5.707 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408939999 1071319794 /nfs/dbraw/zinc/31/97/94/1071319794.db2.gz TUJHGGSNNSFOFB-LQKURTRISA-N -1 0 689.990 7.942 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000408939443 1071324360 /nfs/dbraw/zinc/32/43/60/1071324360.db2.gz SOZPZPOBURRJCQ-YSMPRRRNSA-N -1 0 591.422 6.957 40 10 KKCBRM Cc1cc(C)cc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)c2)c1 ZINC000408938732 1071328932 /nfs/dbraw/zinc/32/89/32/1071328932.db2.gz RIAFXLAGVOUJMY-YKQZZPSBSA-N -1 0 567.041 6.781 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408938253 1071334039 /nfs/dbraw/zinc/33/40/39/1071334039.db2.gz PQBODJLQZGIVTR-AFUMVMLFSA-N -1 0 637.903 7.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408938296 1071334109 /nfs/dbraw/zinc/33/41/09/1071334109.db2.gz PZNQNKONIHNGPQ-CVKSISIWSA-N -1 0 607.877 7.471 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2)c1 ZINC000408937765 1071337090 /nfs/dbraw/zinc/33/70/90/1071337090.db2.gz OPTCYQXQBZRJSV-RDRPBHBLSA-N -1 0 567.041 6.781 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408952482 1071344534 /nfs/dbraw/zinc/34/45/34/1071344534.db2.gz NYQKSOIZVFQDHM-RPPGKUMJSA-N -1 0 724.877 8.578 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)c1C ZINC000408952418 1071345693 /nfs/dbraw/zinc/34/56/93/1071345693.db2.gz NTBLMBGLMAKDHY-OKCVXOCRSA-N -1 0 591.708 6.323 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)cs1 ZINC000408952411 1071345788 /nfs/dbraw/zinc/34/57/88/1071345788.db2.gz NRYXNTFAQMIOME-ZVBGSRNCSA-N -1 0 511.441 5.645 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000408951056 1071352343 /nfs/dbraw/zinc/35/23/43/1071352343.db2.gz KUMYCHUACSGNFR-RPPGKUMJSA-N -1 0 802.422 7.748 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000408949369 1071360999 /nfs/dbraw/zinc/36/09/99/1071360999.db2.gz HUGCVHVYVAIKSK-FRKPEAEDSA-N -1 0 529.307 5.107 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000408948886 1071363194 /nfs/dbraw/zinc/36/31/94/1071363194.db2.gz HHFBCNJIXMZYQD-REZTVBANSA-N -1 0 773.115 5.632 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408948753 1071363389 /nfs/dbraw/zinc/36/33/89/1071363389.db2.gz GHMIRHARIKMJST-MUFRIFMGSA-N -1 0 562.666 6.408 40 10 KKCBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408948407 1071365013 /nfs/dbraw/zinc/36/50/13/1071365013.db2.gz GBBIAUHFOWXNAQ-ZVBGSRNCSA-N -1 0 569.883 6.245 40 10 KKCBRM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408957069 1071373172 /nfs/dbraw/zinc/37/31/72/1071373172.db2.gz ZXZVHKFNOCFPOS-DICXZTSXSA-N -1 0 506.602 5.983 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408956866 1071374155 /nfs/dbraw/zinc/37/41/55/1071374155.db2.gz YWDKDWHGKCBTKJ-REZTVBANSA-N -1 0 590.213 5.730 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408956763 1071375041 /nfs/dbraw/zinc/37/50/41/1071375041.db2.gz YIUOEJRVJBMOHZ-CCVNUDIWSA-N -1 0 641.562 7.171 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408956085 1071380789 /nfs/dbraw/zinc/38/07/89/1071380789.db2.gz VXIGQGDVYISDSH-XODNFHPESA-N -1 0 686.559 7.079 40 10 KKCBRM CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C(C)C ZINC000408956029 1071380868 /nfs/dbraw/zinc/38/08/68/1071380868.db2.gz VRVPDZNIEDBDLR-RWPZCVJISA-N -1 0 526.677 6.651 40 10 KKCBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408955511 1071384212 /nfs/dbraw/zinc/38/42/12/1071384212.db2.gz UPKXMMFELYIJHZ-OCSSWDANSA-N -1 0 619.718 6.155 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408694212 1071388575 /nfs/dbraw/zinc/38/85/75/1071388575.db2.gz FXNNZRYSTREDFU-HZHRSRAPSA-N -1 0 519.395 5.586 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408955317 1071385522 /nfs/dbraw/zinc/38/55/22/1071385522.db2.gz UDHRGUOSUHHRCL-IPPBACCNSA-N -1 0 737.034 8.057 40 10 KKCBRM Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408954664 1071388613 /nfs/dbraw/zinc/38/86/13/1071388613.db2.gz SFTLSNAJCXVLCL-MZJWZYIUSA-N -1 0 541.047 7.043 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408692521 1071394591 /nfs/dbraw/zinc/39/45/91/1071394591.db2.gz OITCHMTXDLNVIJ-VCHYOVAHSA-N -1 0 578.257 5.204 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408953846 1071393649 /nfs/dbraw/zinc/39/36/49/1071393649.db2.gz QBFUQRRAFZTAPF-NSKAYECMSA-N -1 0 853.322 8.916 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408954037 1071394037 /nfs/dbraw/zinc/39/40/37/1071394037.db2.gz RAYGWDGFYLBOTF-FOKLQQMPSA-N -1 0 579.491 5.991 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408692476 1071394133 /nfs/dbraw/zinc/39/41/33/1071394133.db2.gz NGTSJDFVRANZOY-OEAKJJBVSA-N -1 0 559.535 5.107 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408693872 1071390299 /nfs/dbraw/zinc/39/02/99/1071390299.db2.gz ADPQAYOQOOLWEL-YBFXNURJSA-N -1 0 686.284 5.278 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408954582 1071390692 /nfs/dbraw/zinc/39/06/92/1071390692.db2.gz RTDHNJHFHBFJHI-CCVNUDIWSA-N -1 0 692.981 7.658 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408954630 1071390886 /nfs/dbraw/zinc/39/08/86/1071390886.db2.gz RYQPOCWRGJGUGH-DJKKODMXSA-N -1 0 738.272 5.269 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408692342 1071394754 /nfs/dbraw/zinc/39/47/54/1071394754.db2.gz KHDIOEPLVUHYES-WOJGMQOQSA-N -1 0 503.382 5.376 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408692157 1071395497 /nfs/dbraw/zinc/39/54/97/1071395497.db2.gz FSQGNWAVYSYYEQ-OEAKJJBVSA-N -1 0 518.997 5.875 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408692051 1071396307 /nfs/dbraw/zinc/39/63/07/1071396307.db2.gz CHNWMSSLLYJQJQ-PCLIKHOPSA-N -1 0 518.013 5.731 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408967216 1071407161 /nfs/dbraw/zinc/40/71/61/1071407161.db2.gz QXLYGVDELHIODM-XNTDXEJSSA-N -1 0 552.752 5.175 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408966781 1071407605 /nfs/dbraw/zinc/40/76/05/1071407605.db2.gz OBMBLUSDGOEVIV-VCHYOVAHSA-N -1 0 546.849 5.789 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408965909 1071412488 /nfs/dbraw/zinc/41/24/88/1071412488.db2.gz JTAAFMZGIILHEA-LPYMAVHISA-N -1 0 503.986 5.871 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408965891 1071413123 /nfs/dbraw/zinc/41/31/23/1071413123.db2.gz JLSSYEXBCBCOOG-WSDLNYQXSA-N -1 0 636.017 6.327 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408964003 1071419324 /nfs/dbraw/zinc/41/93/24/1071419324.db2.gz BBCMVLZRCBNQIJ-HYARGMPZSA-N -1 0 529.394 5.380 40 10 KKCBRM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n21 ZINC000408958937 1071438528 /nfs/dbraw/zinc/43/85/28/1071438528.db2.gz XLMKTZHZVYEKQA-YRSDHNRQSA-N -1 0 664.578 5.064 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408969861 1071457575 /nfs/dbraw/zinc/45/75/75/1071457575.db2.gz VTPMBHFUTWIQBR-QRVIBDJDSA-N -1 0 526.035 6.422 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408986937 1071483022 /nfs/dbraw/zinc/48/30/22/1071483022.db2.gz NVRXMUFYLNSQBC-UCQKPKSFSA-N -1 0 562.851 6.389 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408987209 1071483235 /nfs/dbraw/zinc/48/32/35/1071483235.db2.gz AVHKEWICGCXTAJ-HZHRSRAPSA-N -1 0 635.683 6.583 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1Cl ZINC000408986837 1071486037 /nfs/dbraw/zinc/48/60/37/1071486037.db2.gz NJPOUIDLGFKOMD-MHWRWJLKSA-N -1 0 530.718 5.246 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408986705 1071488027 /nfs/dbraw/zinc/48/80/27/1071488027.db2.gz DBHONLQAENMNBD-MTJSOVHGSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(I)c3)C2=O)cc1Cl ZINC000408986134 1071493104 /nfs/dbraw/zinc/49/31/04/1071493104.db2.gz ZSVPPWNJHVHGEC-LSCVHKIXSA-N -1 0 669.672 6.400 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1Cl ZINC000408985990 1071495513 /nfs/dbraw/zinc/49/55/13/1071495513.db2.gz YZMHPUVZWUSLLL-LSCVHKIXSA-N -1 0 616.795 5.227 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408985694 1071497707 /nfs/dbraw/zinc/49/77/07/1071497707.db2.gz XSWAOBLLAWHGTA-NHDPSOOVSA-N -1 0 548.979 5.275 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408985744 1071498462 /nfs/dbraw/zinc/49/84/62/1071498462.db2.gz YHDIRAUKWVMHJQ-JAIQZWGSSA-N -1 0 569.839 6.055 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408985498 1071498488 /nfs/dbraw/zinc/49/84/88/1071498488.db2.gz XDSURHFSBSQAAD-CFRMEGHHSA-N -1 0 619.899 7.208 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1Cl ZINC000408985736 1071498629 /nfs/dbraw/zinc/49/86/29/1071498629.db2.gz YGCHDVJUFSBHGA-SOFYXZRVSA-N -1 0 629.121 7.617 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408985338 1071500543 /nfs/dbraw/zinc/50/05/43/1071500543.db2.gz KJXCGGCMKHSOMY-HMAPJEAMSA-N -1 0 549.421 5.656 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408985076 1071503313 /nfs/dbraw/zinc/50/33/13/1071503313.db2.gz UXKPGVCMKRMUFE-NVMNQCDNSA-N -1 0 638.729 7.362 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(I)c3)C2=O)cc1 ZINC000408984895 1071503891 /nfs/dbraw/zinc/50/38/91/1071503891.db2.gz UERIOMLWTUNNHZ-NDENLUEZSA-N -1 0 631.264 5.862 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408985163 1071504091 /nfs/dbraw/zinc/50/40/91/1071504091.db2.gz VYSZVCHKSMKQDZ-JMIUGGIZSA-N -1 0 559.833 6.599 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408984558 1071508759 /nfs/dbraw/zinc/50/87/59/1071508759.db2.gz RWIGGYUYVBRBGA-LSCVHKIXSA-N -1 0 605.228 6.218 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408984649 1071506949 /nfs/dbraw/zinc/50/69/49/1071506949.db2.gz SIARMXZHMYOWQN-UCQKPKSFSA-N -1 0 610.448 5.806 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408984545 1071508837 /nfs/dbraw/zinc/50/88/37/1071508837.db2.gz RURWFJWQEVUZIB-QQXSKIMKSA-N -1 0 555.030 6.700 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408984149 1071510258 /nfs/dbraw/zinc/51/02/58/1071510258.db2.gz ICEJKGWYTCUPOH-LSCVHKIXSA-N -1 0 649.679 6.327 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408984045 1071512191 /nfs/dbraw/zinc/51/21/91/1071512191.db2.gz HVQWVSFAYYNMKZ-JAIQZWGSSA-N -1 0 574.258 6.564 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408983897 1071513112 /nfs/dbraw/zinc/51/31/12/1071513112.db2.gz OAXVZPBSYSGMAU-BKUYFWCQSA-N -1 0 597.365 5.007 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408983845 1071515291 /nfs/dbraw/zinc/51/52/91/1071515291.db2.gz NSKMHBDGZVBVHK-NVMNQCDNSA-N -1 0 513.337 5.284 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408726480 1071515693 /nfs/dbraw/zinc/51/56/93/1071515693.db2.gz SBWXXKQPMOWACO-ODLFYWEKSA-N -1 0 513.402 5.412 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1 ZINC000408983433 1071516426 /nfs/dbraw/zinc/51/64/26/1071516426.db2.gz MCIRFXGDKZHGHH-JAIQZWGSSA-N -1 0 712.709 6.357 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2I)c1 ZINC000408983697 1071516642 /nfs/dbraw/zinc/51/66/42/1071516642.db2.gz NMZXHDDUSXOXOC-JAIQZWGSSA-N -1 0 586.813 5.807 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(I)c3)C2=O)cc1Cl ZINC000408983412 1071518906 /nfs/dbraw/zinc/51/89/06/1071518906.db2.gz LZRPLAYVKDHFFB-IUXPMGMMSA-N -1 0 669.672 6.400 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000408982619 1071525167 /nfs/dbraw/zinc/52/51/67/1071525167.db2.gz IMMAOXDQECREAH-JAIQZWGSSA-N -1 0 540.359 5.709 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1Cl ZINC000408983123 1071521819 /nfs/dbraw/zinc/52/18/19/1071521819.db2.gz KSFWWMYOEHWROR-FMQZQXMHSA-N -1 0 742.691 5.832 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1Cl ZINC000408982965 1071523228 /nfs/dbraw/zinc/52/32/28/1071523228.db2.gz JFFPETDZCAMOIG-JJFYIABZSA-N -1 0 654.742 7.572 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Cl ZINC000408982281 1071526834 /nfs/dbraw/zinc/52/68/34/1071526834.db2.gz DBODIQGTZGXTEN-JMIUGGIZSA-N -1 0 515.780 6.201 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408723072 1071531138 /nfs/dbraw/zinc/53/11/38/1071531138.db2.gz QCUKKWDJZSKXDT-VCHYOVAHSA-N -1 0 592.298 6.175 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408723274 1071528742 /nfs/dbraw/zinc/52/87/42/1071528742.db2.gz SLWJVAYEPZLPIX-KEBDBYFISA-N -1 0 653.325 6.407 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408982060 1071529888 /nfs/dbraw/zinc/52/98/88/1071529888.db2.gz FKMYNFAUPZCDSV-CFRMEGHHSA-N -1 0 571.977 5.818 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(I)c3)C2=O)cc1 ZINC000408982051 1071529958 /nfs/dbraw/zinc/52/99/58/1071529958.db2.gz FJWCDVZTIIQTTQ-ODLFYWEKSA-N -1 0 649.254 6.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408722413 1071533314 /nfs/dbraw/zinc/53/33/14/1071533314.db2.gz IKXUHHYAWLMOGB-ZMOGYAJESA-N -1 0 621.940 7.065 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408981424 1071533612 /nfs/dbraw/zinc/53/36/12/1071533612.db2.gz BBWSOVVZUXPKDF-JAIQZWGSSA-N -1 0 723.261 5.612 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722491 1071533915 /nfs/dbraw/zinc/53/39/15/1071533915.db2.gz JMXZBJOLJRJBCU-UFWORHAWSA-N -1 0 640.770 7.218 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408721842 1071536299 /nfs/dbraw/zinc/53/62/99/1071536299.db2.gz AHXCKNUHOKOHSP-QGMBQPNBSA-N -1 0 626.743 6.828 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)C(=O)[N-]C1=S ZINC000408995024 1071554718 /nfs/dbraw/zinc/55/47/18/1071554718.db2.gz KULHKODCZITUJE-GZTJUZNOSA-N -1 0 699.248 7.500 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)[N-]C2=S)c1 ZINC000408994972 1071554783 /nfs/dbraw/zinc/55/47/83/1071554783.db2.gz KBFJABXPFBFXDP-VCHYOVAHSA-N -1 0 715.247 7.336 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735058 1071563074 /nfs/dbraw/zinc/56/30/74/1071563074.db2.gz NHKFUNFPPQADBX-TUHQKKNWSA-N -1 0 612.708 5.717 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408993250 1071566600 /nfs/dbraw/zinc/56/66/00/1071566600.db2.gz VHYILXGOVNUPOT-HYARGMPZSA-N -1 0 700.223 7.710 40 10 KKCBRM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992803 1071569456 /nfs/dbraw/zinc/56/94/56/1071569456.db2.gz SWBKIQIVSHMHIL-MQXQUQPRSA-N -1 0 653.698 5.702 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408991588 1071581114 /nfs/dbraw/zinc/58/11/14/1071581114.db2.gz OKAXHYQYJXMYDV-ZZTJDXDDSA-N -1 0 681.752 6.319 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408991249 1071583031 /nfs/dbraw/zinc/58/30/31/1071583031.db2.gz PXRQZTPFHKEVAV-BUVRLJJBSA-N -1 0 514.647 5.729 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(I)cc3)C2=O)cc1Cl ZINC000408991212 1071583071 /nfs/dbraw/zinc/58/30/71/1071583071.db2.gz PRNVEAHHSGADFB-NDENLUEZSA-N -1 0 572.786 5.498 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000408991270 1071583172 /nfs/dbraw/zinc/58/31/72/1071583172.db2.gz QAJKBZQKPTXLPQ-UHFFFAOYSA-N -1 0 585.465 5.831 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccc(C)cc5)C4=O)o3)sc2c1 ZINC000408990971 1071585501 /nfs/dbraw/zinc/58/55/01/1071585501.db2.gz MEMCFTADKUKHKW-LDADJPATSA-N -1 0 521.645 5.579 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408990961 1071585555 /nfs/dbraw/zinc/58/55/55/1071585555.db2.gz MDEPSCYTHCRDSW-RCRQRPLWSA-N -1 0 683.793 6.175 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408990515 1071589131 /nfs/dbraw/zinc/58/91/31/1071589131.db2.gz NNAZCHPSZZXLSF-HAHDFKILSA-N -1 0 519.395 5.565 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=S)N(c6ccc(C)cc6C)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408990349 1071590275 /nfs/dbraw/zinc/59/02/75/1071590275.db2.gz KTMWNOWUSVFLOY-BUVRLJJBSA-N -1 0 679.805 7.365 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408990227 1071591606 /nfs/dbraw/zinc/59/16/06/1071591606.db2.gz WIHLKXUDPMJGCP-LSCVHKIXSA-N -1 0 730.578 7.023 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408989573 1071595303 /nfs/dbraw/zinc/59/53/03/1071595303.db2.gz IILWXZWXWKFJLJ-UHFFFAOYSA-N -1 0 580.003 5.011 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000408989639 1071596294 /nfs/dbraw/zinc/59/62/94/1071596294.db2.gz URXAWGOXQPEOIA-VCHYOVAHSA-N -1 0 658.361 5.137 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408989238 1071599100 /nfs/dbraw/zinc/59/91/00/1071599100.db2.gz STBFZNXHDGQMTM-ODLFYWEKSA-N -1 0 574.258 6.564 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000408989257 1071599210 /nfs/dbraw/zinc/59/92/10/1071599210.db2.gz SYOJDLSWTPBLTQ-JAIQZWGSSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408988721 1071602072 /nfs/dbraw/zinc/60/20/72/1071602072.db2.gz FRZGMTXKHSXGNL-OEAKJJBVSA-N -1 0 700.223 7.710 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)c1 ZINC000408739617 1071602230 /nfs/dbraw/zinc/60/22/30/1071602230.db2.gz DFDWXDOFDQMRDA-UDWIEESQSA-N -1 0 570.237 5.765 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408739603 1071602237 /nfs/dbraw/zinc/60/22/37/1071602237.db2.gz CWSMHJZWKAOOCI-AWQFTUOYSA-N -1 0 683.351 6.416 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1Cl ZINC000408988544 1071603130 /nfs/dbraw/zinc/60/31/30/1071603130.db2.gz REVMSWQLXMBOSW-IUXPMGMMSA-N -1 0 622.672 6.558 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408988099 1071606736 /nfs/dbraw/zinc/60/67/36/1071606736.db2.gz CNTPEVJONPFKEC-HFSPCEDCSA-N -1 0 718.238 6.828 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)[N-]C2=S)c1 ZINC000408988118 1071606801 /nfs/dbraw/zinc/60/68/01/1071606801.db2.gz CQLRJMISZMONDG-LFIBNONCSA-N -1 0 522.589 5.088 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408987447 1071613044 /nfs/dbraw/zinc/61/30/44/1071613044.db2.gz BAQVPQBMSBRNFS-MFKUBSTISA-N -1 0 679.805 7.365 40 10 KKCBRM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)ccc1Cl ZINC000408737775 1071613218 /nfs/dbraw/zinc/61/32/18/1071613218.db2.gz GSNWBNRJQHWAER-SFQUDFHCSA-N -1 0 536.798 8.076 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408744183 1071616709 /nfs/dbraw/zinc/61/67/09/1071616709.db2.gz ZAKJOSWCNVEXNM-RGVLZGJSSA-N -1 0 586.236 5.466 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408743600 1071617735 /nfs/dbraw/zinc/61/77/35/1071617735.db2.gz WGZXTFGLUDYREM-OCKHKDLRSA-N -1 0 683.749 6.126 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408743222 1071619452 /nfs/dbraw/zinc/61/94/52/1071619452.db2.gz RPBNKGABIBHJBF-WGOQTCKBSA-N -1 0 573.030 6.473 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)[N-]C1=S ZINC000408742777 1071619992 /nfs/dbraw/zinc/61/99/92/1071619992.db2.gz SSSSIXXKXBQUGV-WOJGMQOQSA-N -1 0 583.376 5.198 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742906 1071620028 /nfs/dbraw/zinc/62/00/28/1071620028.db2.gz UAHMYPPNUHLYGU-RGVLZGJSSA-N -1 0 561.874 6.456 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2-c2ccccc2)cc1 ZINC000408742772 1071620157 /nfs/dbraw/zinc/62/01/57/1071620157.db2.gz PVYFEBSMGKAZGL-OOAXWGSJSA-N -1 0 622.508 8.183 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)[N-]C2=S)c1 ZINC000408742638 1071620537 /nfs/dbraw/zinc/62/05/37/1071620537.db2.gz XHNAMGAOUKYJLE-UYRXBGFRSA-N -1 0 511.397 5.248 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408742011 1071622803 /nfs/dbraw/zinc/62/28/03/1071622803.db2.gz OUWDULLPDWOLEX-GIJQJNRQSA-N -1 0 651.174 6.384 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000408741811 1071623481 /nfs/dbraw/zinc/62/34/81/1071623481.db2.gz NXAHWWRINYIOHC-LPYMAVHISA-N -1 0 522.468 5.613 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408741053 1071628378 /nfs/dbraw/zinc/62/83/78/1071628378.db2.gz JSYVAGVRTTZNRU-LZYBPNLTSA-N -1 0 692.298 5.969 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408740875 1071628441 /nfs/dbraw/zinc/62/84/41/1071628441.db2.gz IUYKYVKPHFYUAR-ZVHZXABRSA-N -1 0 634.495 6.172 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408740819 1071628486 /nfs/dbraw/zinc/62/84/86/1071628486.db2.gz IFQGJSBIHYNOMU-NHDPSOOVSA-N -1 0 648.906 5.762 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408740601 1071629652 /nfs/dbraw/zinc/62/96/52/1071629652.db2.gz CLLCSDRUGSDSIF-MWAVMZGNSA-N -1 0 588.063 7.530 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[N-]C1=S ZINC000408740360 1071630236 /nfs/dbraw/zinc/63/02/36/1071630236.db2.gz FVIKVYMOZWQTSF-GDNBJRDFSA-N -1 0 536.234 6.156 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408740253 1071631404 /nfs/dbraw/zinc/63/14/04/1071631404.db2.gz JPUZCMJWEBWTHC-JBASAIQMSA-N -1 0 597.696 6.819 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(I)c3)C2=O)ccc1Br ZINC000408756760 1071636567 /nfs/dbraw/zinc/63/65/67/1071636567.db2.gz TWNNCMRHEURBEZ-YBFXNURJSA-N -1 0 743.133 6.212 40 10 KKCBRM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I ZINC000408756578 1071637247 /nfs/dbraw/zinc/63/72/47/1071637247.db2.gz WIVPLYHYPIWPBU-NTUHNPAUSA-N -1 0 681.062 5.032 40 10 KKCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408756615 1071637256 /nfs/dbraw/zinc/63/72/56/1071637256.db2.gz IGMDZQNSHYLNRR-CIAFOILYSA-N -1 0 521.415 5.152 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000409001463 1071645592 /nfs/dbraw/zinc/64/55/92/1071645592.db2.gz WBRYZROAJYRNEO-LDADJPATSA-N -1 0 609.272 6.008 40 10 KKCBRM Cc1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408755432 1071644907 /nfs/dbraw/zinc/64/49/07/1071644907.db2.gz LHDWHEXXDRGOGJ-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408754791 1071648336 /nfs/dbraw/zinc/64/83/36/1071648336.db2.gz RTKMTTXDQNBKIX-UDWIEESQSA-N -1 0 526.184 5.744 40 10 KKCBRM Cc1nn(-c2cccc3ccccc32)c(C)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408754910 1071649339 /nfs/dbraw/zinc/64/93/39/1071649339.db2.gz ALYSAFOZGLGCOL-HMAPJEAMSA-N -1 0 529.394 5.380 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)c1 ZINC000408754681 1071649952 /nfs/dbraw/zinc/64/99/52/1071649952.db2.gz LEFUIWKUXIFLSA-HYARGMPZSA-N -1 0 550.409 5.008 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408754378 1071651693 /nfs/dbraw/zinc/65/16/93/1071651693.db2.gz NBJOSMVQCFKGBP-OEAKJJBVSA-N -1 0 520.427 5.955 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408753929 1071653887 /nfs/dbraw/zinc/65/38/87/1071653887.db2.gz CMGZTLNZRQWUAA-IWIPYMOSSA-N -1 0 573.468 6.021 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408999066 1071655804 /nfs/dbraw/zinc/65/58/04/1071655804.db2.gz RGWITLMMJAYSPH-LZYBPNLTSA-N -1 0 734.022 7.535 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)ccc1Br ZINC000408753092 1071660288 /nfs/dbraw/zinc/66/02/88/1071660288.db2.gz HSQXZAWGMZOXEK-FYJGNVAPSA-N -1 0 548.824 6.080 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C2=O)ccc1Br ZINC000408752672 1071663775 /nfs/dbraw/zinc/66/37/75/1071663775.db2.gz FYSRSBWYRAQQFC-FYJGNVAPSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c3ccccc32)c1 ZINC000408997367 1071664372 /nfs/dbraw/zinc/66/43/72/1071664372.db2.gz NZCPUEUHYWLUKH-OEAKJJBVSA-N -1 0 528.406 5.735 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(I)c3)C2=O)ccc1Br ZINC000408752101 1071667163 /nfs/dbraw/zinc/66/71/63/1071667163.db2.gz FWJHEOGUSRRCKH-GIJQJNRQSA-N -1 0 761.123 6.351 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409014688 1071674518 /nfs/dbraw/zinc/67/45/18/1071674518.db2.gz YBEDLHNUWOAZRI-OGLMXYFKSA-N -1 0 555.631 5.652 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C2=O)ccc1Br ZINC000408761186 1071694670 /nfs/dbraw/zinc/69/46/70/1071694670.db2.gz CTJYWCHZNJKUPO-USHMODERSA-N -1 0 681.384 8.311 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000408761025 1071695236 /nfs/dbraw/zinc/69/52/36/1071695236.db2.gz GPJYZSPXAAOQHF-HMAPJEAMSA-N -1 0 557.404 5.017 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408760785 1071695275 /nfs/dbraw/zinc/69/52/75/1071695275.db2.gz FYHNOGYPKNPAMS-UDWIEESQSA-N -1 0 661.290 6.006 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1F ZINC000408760048 1071698584 /nfs/dbraw/zinc/69/85/84/1071698584.db2.gz QPPVAMRQQVNGPZ-XDHOZWIPSA-N -1 0 539.357 5.151 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(I)c3)C2=O)ccc1Br ZINC000408759761 1071700006 /nfs/dbraw/zinc/70/00/06/1071700006.db2.gz LCTRSFNLJXSUJJ-GIJQJNRQSA-N -1 0 822.029 6.975 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000408759561 1071701004 /nfs/dbraw/zinc/70/10/04/1071701004.db2.gz HCZSIYQEJZMMND-UHFFFAOYSA-N -1 0 512.905 5.882 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408759340 1071701481 /nfs/dbraw/zinc/70/14/81/1071701481.db2.gz CKGWOACYIZQFIH-VXLYETTFSA-N -1 0 773.159 6.221 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408758511 1071705129 /nfs/dbraw/zinc/70/51/29/1071705129.db2.gz LIMVPQIESCIVEG-VXLYETTFSA-N -1 0 645.260 5.682 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2I)c1 ZINC000408757801 1071710723 /nfs/dbraw/zinc/71/07/23/1071710723.db2.gz CFIHDHDXPMGTPX-UDWIEESQSA-N -1 0 631.264 5.916 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2)C1=O ZINC000409023921 1071713695 /nfs/dbraw/zinc/71/36/95/1071713695.db2.gz FLMMLADBHBLOQZ-VXLYETTFSA-N -1 0 604.682 6.419 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408767076 1071715854 /nfs/dbraw/zinc/71/58/54/1071715854.db2.gz INNBZVGQPBNMIC-CAOOACKPSA-N -1 0 683.282 5.869 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408766284 1071720663 /nfs/dbraw/zinc/72/06/63/1071720663.db2.gz TXNCBEAVEUKEJX-CAOOACKPSA-N -1 0 669.153 7.081 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Br)c3)C2=O)c1 ZINC000408767179 1071716368 /nfs/dbraw/zinc/71/63/68/1071716368.db2.gz JRBSZMLGWNIZRE-VXLYETTFSA-N -1 0 557.803 6.104 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408766797 1071717341 /nfs/dbraw/zinc/71/73/41/1071717341.db2.gz GKSWRKBHPJEYHZ-RCCKNPSSSA-N -1 0 555.487 5.069 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408766112 1071721148 /nfs/dbraw/zinc/72/11/48/1071721148.db2.gz OWXQYLDQIPYWRG-YBFXNURJSA-N -1 0 600.263 5.774 40 10 KKCBRM Cc1cc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000408766838 1071717760 /nfs/dbraw/zinc/71/77/60/1071717760.db2.gz SPSCJAOXSRJCST-WOJGMQOQSA-N -1 0 524.327 5.209 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408765649 1071723294 /nfs/dbraw/zinc/72/32/94/1071723294.db2.gz ZEDWWGKUQKSVDK-QGMBQPNBSA-N -1 0 669.153 7.081 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408765528 1071723613 /nfs/dbraw/zinc/72/36/13/1071723613.db2.gz YFUQHDWKLYUSRY-GIJQJNRQSA-N -1 0 622.672 6.558 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408764323 1071728678 /nfs/dbraw/zinc/72/86/78/1071728678.db2.gz RBWOFHOQNOCRET-UHFFFAOYSA-N -1 0 548.551 5.556 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)ccc1Br ZINC000408762108 1071736809 /nfs/dbraw/zinc/73/68/09/1071736809.db2.gz NABTVYRNDSGRNZ-VCHYOVAHSA-N -1 0 649.133 6.528 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408761687 1071738817 /nfs/dbraw/zinc/73/88/17/1071738817.db2.gz KSWYXLUFUVDBKX-RGVLZGJSSA-N -1 0 706.287 5.914 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c([O-])c(I)c1 ZINC000409036375 1071743824 /nfs/dbraw/zinc/74/38/24/1071743824.db2.gz VWDIQHWPTHNQDZ-FARCUNLSSA-N -1 0 573.053 5.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408777134 1071745106 /nfs/dbraw/zinc/74/51/06/1071745106.db2.gz VVJNDAJLTYQXOK-DEDYPNTBSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408777158 1071745620 /nfs/dbraw/zinc/74/56/20/1071745620.db2.gz VYNHUAHPLRVOMI-GIJQJNRQSA-N -1 0 749.705 7.370 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408777248 1071746090 /nfs/dbraw/zinc/74/60/90/1071746090.db2.gz XCHAWPBNESSTMO-GIJQJNRQSA-N -1 0 697.309 6.259 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408777087 1071747175 /nfs/dbraw/zinc/74/71/75/1071747175.db2.gz UZIQGIYBSWJVNE-GIJQJNRQSA-N -1 0 705.254 7.261 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000408776827 1071748550 /nfs/dbraw/zinc/74/85/50/1071748550.db2.gz RQMOREXXNXSUEA-GIJQJNRQSA-N -1 0 702.645 5.934 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408776364 1071750441 /nfs/dbraw/zinc/75/04/41/1071750441.db2.gz NWVZCCCLJLARPP-SRZZPIQSSA-N -1 0 614.290 6.082 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408775731 1071753588 /nfs/dbraw/zinc/75/35/88/1071753588.db2.gz UKTMUGWUAONGCG-LZYBPNLTSA-N -1 0 582.343 6.544 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 ZINC000408775042 1071758079 /nfs/dbraw/zinc/75/80/79/1071758079.db2.gz FKFJRYLTRCCWAM-LFVJCYFKSA-N -1 0 516.022 6.062 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408774473 1071761638 /nfs/dbraw/zinc/76/16/38/1071761638.db2.gz OKOXRPQFFAYSGM-RGVLZGJSSA-N -1 0 511.361 5.556 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 ZINC000408774491 1071761878 /nfs/dbraw/zinc/76/18/78/1071761878.db2.gz OSTQNRQDMCOQDW-RQZCQDPDSA-N -1 0 655.645 6.092 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408774882 1071758463 /nfs/dbraw/zinc/75/84/63/1071758463.db2.gz REHYKNOBARZZKG-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408774764 1071759600 /nfs/dbraw/zinc/75/96/00/1071759600.db2.gz QRISJDSEPYEJKE-ATZGPIRCSA-N -1 0 701.736 7.837 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000408773996 1071764609 /nfs/dbraw/zinc/76/46/09/1071764609.db2.gz UXACWYAVQKZTAZ-RQZCQDPDSA-N -1 0 719.100 6.448 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408773993 1071764753 /nfs/dbraw/zinc/76/47/53/1071764753.db2.gz UVWDTONFZLVWFS-LPYMAVHISA-N -1 0 550.365 5.220 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408773817 1071765292 /nfs/dbraw/zinc/76/52/92/1071765292.db2.gz XMTMQQRSNCVZFO-QGMBQPNBSA-N -1 0 550.225 6.854 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408773704 1071766385 /nfs/dbraw/zinc/76/63/85/1071766385.db2.gz SYQWRHSLJQRUJI-DJKKODMXSA-N -1 0 580.251 6.944 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408773674 1071766398 /nfs/dbraw/zinc/76/63/98/1071766398.db2.gz WIRJAXHGESFYCT-BUVRLJJBSA-N -1 0 531.395 6.700 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)c1 ZINC000408773352 1071767534 /nfs/dbraw/zinc/76/75/34/1071767534.db2.gz KDDAEZIRZKAUEV-QGMBQPNBSA-N -1 0 608.703 7.272 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000408772954 1071770455 /nfs/dbraw/zinc/77/04/55/1071770455.db2.gz NSLZDWPYJCYODV-KEBDBYFISA-N -1 0 629.261 5.982 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408772834 1071771744 /nfs/dbraw/zinc/77/17/44/1071771744.db2.gz IGGPDQABCIBUTI-YBFXNURJSA-N -1 0 593.204 5.843 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408772118 1071776638 /nfs/dbraw/zinc/77/66/38/1071776638.db2.gz DBJKBBWUEUWSAX-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408772129 1071776692 /nfs/dbraw/zinc/77/66/92/1071776692.db2.gz BJRJIVPNJMJIFQ-VCHYOVAHSA-N -1 0 611.361 5.431 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)c1 ZINC000408771368 1071781154 /nfs/dbraw/zinc/78/11/54/1071781154.db2.gz FYRCETRDCSRZDC-KEBDBYFISA-N -1 0 574.258 6.618 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408770958 1071783827 /nfs/dbraw/zinc/78/38/27/1071783827.db2.gz BFRMJFSREHCVDB-CXUHLZMHSA-N -1 0 671.194 6.937 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)sc2=N1 ZINC000409032002 1071784611 /nfs/dbraw/zinc/78/46/11/1071784611.db2.gz BVDFHHNSCOOLES-KEPJHFNWSA-N -1 0 634.154 5.346 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)sc2=N1 ZINC000409031793 1071785081 /nfs/dbraw/zinc/78/50/81/1071785081.db2.gz BFPMIBQLSPPTNY-KEPJHFNWSA-N -1 0 678.605 5.455 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770206 1071788195 /nfs/dbraw/zinc/78/81/95/1071788195.db2.gz URLOGFLSVSXMAQ-KNIWTJNMSA-N -1 0 663.550 5.699 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(I)c3)C2=O)cc1 ZINC000408769416 1071792849 /nfs/dbraw/zinc/79/28/49/1071792849.db2.gz UBLLUDSGQLQWQG-VCHYOVAHSA-N -1 0 682.227 5.589 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)C1=O ZINC000408768862 1071797055 /nfs/dbraw/zinc/79/70/55/1071797055.db2.gz KMTAGCFQUYRHHW-UDWIEESQSA-N -1 0 614.290 6.028 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408769158 1071794826 /nfs/dbraw/zinc/79/48/26/1071794826.db2.gz PDQUFWOOTDTPQF-RQZCQDPDSA-N -1 0 580.649 6.655 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408768665 1071797671 /nfs/dbraw/zinc/79/76/71/1071797671.db2.gz ZVZXCBPWUMRUFN-ITQMKJDXSA-N -1 0 525.004 6.488 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408768664 1071797797 /nfs/dbraw/zinc/79/77/97/1071797797.db2.gz ZVZXCBPWUMRUFN-GSJFZTJBSA-N -1 0 525.004 6.488 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408768641 1071799802 /nfs/dbraw/zinc/79/98/02/1071799802.db2.gz ZIINXIYIAGBXHZ-RGVLZGJSSA-N -1 0 600.263 5.774 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1 ZINC000408768286 1071802000 /nfs/dbraw/zinc/80/20/00/1071802000.db2.gz DUPYAVKROFKRFN-UDWIEESQSA-N -1 0 542.444 5.409 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408767909 1071806558 /nfs/dbraw/zinc/80/65/58/1071806558.db2.gz QYKVOVMHFBANQC-HYARGMPZSA-N -1 0 504.373 5.971 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408767508 1071808104 /nfs/dbraw/zinc/80/81/04/1071808104.db2.gz LWESGSDHSPEREH-WSDLNYQXSA-N -1 0 549.421 5.628 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)ccc1Br ZINC000408767582 1071809118 /nfs/dbraw/zinc/80/91/18/1071809118.db2.gz YRFYZNCIFOZUAD-YBEGLDIGSA-N -1 0 520.166 5.991 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408782465 1071811096 /nfs/dbraw/zinc/81/10/96/1071811096.db2.gz IVBOLUOGEXIDIQ-REZTVBANSA-N -1 0 728.664 5.523 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4ccccc4c3)C2=O)cc1 ZINC000408782316 1071812024 /nfs/dbraw/zinc/81/20/24/1071812024.db2.gz GYAHMXPOVUPGNI-PCLIKHOPSA-N -1 0 541.401 6.156 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408781824 1071814459 /nfs/dbraw/zinc/81/44/59/1071814459.db2.gz FCWMFQYZZRHOSK-STBIYBPSSA-N -1 0 614.565 6.884 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408781518 1071816300 /nfs/dbraw/zinc/81/63/00/1071816300.db2.gz BFKCJSVYYWGWQO-LICLKQGHSA-N -1 0 604.226 5.605 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408781015 1071821372 /nfs/dbraw/zinc/82/13/72/1071821372.db2.gz PWIFGTUGEXFVDQ-NTUHNPAUSA-N -1 0 561.738 5.585 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408780852 1071821859 /nfs/dbraw/zinc/82/18/59/1071821859.db2.gz MBPRPFGFEDOCSP-VXLYETTFSA-N -1 0 665.132 6.228 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408780382 1071824207 /nfs/dbraw/zinc/82/42/07/1071824207.db2.gz BLULOJRMODVXQN-XDHOZWIPSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409045581 1071825061 /nfs/dbraw/zinc/82/50/61/1071825061.db2.gz ZLBHWPNNQOHJBM-VXLYETTFSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O ZINC000409045591 1071825673 /nfs/dbraw/zinc/82/56/73/1071825673.db2.gz ZQWHMKXQMIFYPR-FRKPEAEDSA-N -1 0 673.572 7.726 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408779331 1071830267 /nfs/dbraw/zinc/83/02/67/1071830267.db2.gz CVVIKKHJJISTGR-QGMBQPNBSA-N -1 0 585.794 5.085 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000409046193 1071835638 /nfs/dbraw/zinc/83/56/38/1071835638.db2.gz JJZWYHQCELYZIO-CPNJWEJPSA-N -1 0 568.811 5.095 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408779150 1071832726 /nfs/dbraw/zinc/83/27/26/1071832726.db2.gz AOJRQFKSVJJPNX-GIJQJNRQSA-N -1 0 613.803 7.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408779129 1071832813 /nfs/dbraw/zinc/83/28/13/1071832813.db2.gz RVWBICABIDDQIW-CIAFOILYSA-N -1 0 508.933 5.432 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408778750 1071834047 /nfs/dbraw/zinc/83/40/47/1071834047.db2.gz YFSSLOKOVOBSOE-LZYBPNLTSA-N -1 0 691.227 6.871 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409046273 1071834096 /nfs/dbraw/zinc/83/40/96/1071834096.db2.gz JSOWWUMZFANSKD-YBFXNURJSA-N -1 0 501.753 5.892 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c1C)CCCC2 ZINC000408778139 1071840040 /nfs/dbraw/zinc/84/00/40/1071840040.db2.gz BPMQCVWGUHWDPF-SFQUDFHCSA-N -1 0 588.538 5.959 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409045205 1071841420 /nfs/dbraw/zinc/84/14/20/1071841420.db2.gz FWTBHFQRNQNQIX-XDHOZWIPSA-N -1 0 659.864 5.336 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000408778488 1071837138 /nfs/dbraw/zinc/83/71/38/1071837138.db2.gz VEAZFTDZHRECLR-OEAKJJBVSA-N -1 0 519.395 5.620 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000409046010 1071837220 /nfs/dbraw/zinc/83/72/20/1071837220.db2.gz HVGBIRNZWXBGRC-VCHYOVAHSA-N -1 0 632.236 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408778291 1071837670 /nfs/dbraw/zinc/83/76/70/1071837670.db2.gz SCWQQCTTXNFBCX-HYARGMPZSA-N -1 0 504.970 5.601 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)C1=O ZINC000409045820 1071837771 /nfs/dbraw/zinc/83/77/71/1071837771.db2.gz IFJQMMPMKNOURW-FSJBWODESA-N -1 0 565.840 7.354 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408778364 1071837854 /nfs/dbraw/zinc/83/78/54/1071837854.db2.gz FJXDRXGFYIGKGF-YDZHTSKRSA-N -1 0 547.394 6.401 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408778143 1071838404 /nfs/dbraw/zinc/83/84/04/1071838404.db2.gz BRFGVPOVIPKNKJ-BUVRLJJBSA-N -1 0 512.949 5.747 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408778260 1071838866 /nfs/dbraw/zinc/83/88/66/1071838866.db2.gz COYIUPUQPUFFMC-MFKUBSTISA-N -1 0 585.454 6.555 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409045625 1071838926 /nfs/dbraw/zinc/83/89/26/1071838926.db2.gz ZWGJYNIRZWTITQ-VXLYETTFSA-N -1 0 625.100 6.764 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)C1=O ZINC000409045885 1071838937 /nfs/dbraw/zinc/83/89/37/1071838937.db2.gz JJNNZPXLDYEZIQ-LICLKQGHSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408778044 1071839591 /nfs/dbraw/zinc/83/95/91/1071839591.db2.gz PGBQPGGYYKTGRR-IPPBACCNSA-N -1 0 564.642 6.137 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c1 ZINC000408777458 1071843388 /nfs/dbraw/zinc/84/33/88/1071843388.db2.gz ZUKRAHZTJBXNHQ-VCHYOVAHSA-N -1 0 591.951 6.289 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000409045142 1071843547 /nfs/dbraw/zinc/84/35/47/1071843547.db2.gz FHEZARUCGKNXJZ-VCHYOVAHSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409045166 1071844130 /nfs/dbraw/zinc/84/41/30/1071844130.db2.gz FTOHRGZZKUXMNI-QGMBQPNBSA-N -1 0 669.551 6.873 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)c1 ZINC000408777551 1071844211 /nfs/dbraw/zinc/84/42/11/1071844211.db2.gz BVFBRALHFGNGSS-VXLYETTFSA-N -1 0 602.254 6.213 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409044827 1071846003 /nfs/dbraw/zinc/84/60/03/1071846003.db2.gz DOEHOACCUUUMKU-VCHYOVAHSA-N -1 0 635.106 6.220 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409044512 1071848048 /nfs/dbraw/zinc/84/80/48/1071848048.db2.gz VPGVHQQTYSMNDF-OQLLNIDSSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408786698 1071849203 /nfs/dbraw/zinc/84/92/03/1071849203.db2.gz MLKAIEWERSVGME-WSDLNYQXSA-N -1 0 687.715 7.106 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408786716 1071849337 /nfs/dbraw/zinc/84/93/37/1071849337.db2.gz VAXOOURZJUSTQQ-VCHYOVAHSA-N -1 0 604.284 6.627 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408786502 1071849720 /nfs/dbraw/zinc/84/97/20/1071849720.db2.gz RKYHITURUOZPJF-UDWIEESQSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000408786521 1071849889 /nfs/dbraw/zinc/84/98/89/1071849889.db2.gz RYBSYFZBJOMJBJ-KEBDBYFISA-N -1 0 676.261 5.824 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Br)c3)C2=O)c1 ZINC000408786587 1071850496 /nfs/dbraw/zinc/85/04/96/1071850496.db2.gz SROKCDWNQIVRFI-KEBDBYFISA-N -1 0 557.803 6.104 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409044431 1071850563 /nfs/dbraw/zinc/85/05/63/1071850563.db2.gz CUTGIPFJQKYDKY-GIJQJNRQSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409043872 1071853622 /nfs/dbraw/zinc/85/36/22/1071853622.db2.gz BBCCUCNZXCPYDG-CAOOACKPSA-N -1 0 581.195 6.454 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408785328 1071857239 /nfs/dbraw/zinc/85/72/39/1071857239.db2.gz WJPQRXAYFMVPKM-RGVLZGJSSA-N -1 0 647.809 5.497 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408785388 1071857757 /nfs/dbraw/zinc/85/77/57/1071857757.db2.gz WXGHZCRBVIOJBX-UDWIEESQSA-N -1 0 604.242 5.436 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2F)C1=O ZINC000409043359 1071860735 /nfs/dbraw/zinc/86/07/35/1071860735.db2.gz QILIUONZJCZNMH-LICLKQGHSA-N -1 0 622.672 6.558 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408784306 1071864605 /nfs/dbraw/zinc/86/46/05/1071864605.db2.gz QHDSHVVYHUBNCL-CIAFOILYSA-N -1 0 616.839 5.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409042985 1071864950 /nfs/dbraw/zinc/86/49/50/1071864950.db2.gz OXQTYGHXJMYDGG-SRZZPIQSSA-N -1 0 586.258 7.699 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1C ZINC000409042718 1071865469 /nfs/dbraw/zinc/86/54/69/1071865469.db2.gz OLXNDBAGICLUHB-AWQFTUOYSA-N -1 0 653.154 7.381 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C1=O ZINC000409042569 1071866778 /nfs/dbraw/zinc/86/67/78/1071866778.db2.gz NLKLQCCQXRLSNW-QGMBQPNBSA-N -1 0 594.676 6.963 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408783277 1071870987 /nfs/dbraw/zinc/87/09/87/1071870987.db2.gz MAEJWGPZLIGHOX-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408783724 1071867575 /nfs/dbraw/zinc/86/75/75/1071867575.db2.gz QMRBHINTTKGIAE-RGVLZGJSSA-N -1 0 649.304 5.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408787326 1071876171 /nfs/dbraw/zinc/87/61/71/1071876171.db2.gz XSUHWXFSBOSVAL-WSDLNYQXSA-N -1 0 594.418 5.618 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409041942 1071876480 /nfs/dbraw/zinc/87/64/80/1071876480.db2.gz LGRZSWWYWRVZLW-ZVHZXABRSA-N -1 0 680.324 7.175 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408797156 1071876962 /nfs/dbraw/zinc/87/69/62/1071876962.db2.gz BLRLRVNXDICSQY-PCLIKHOPSA-N -1 0 526.976 6.137 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409042162 1071872887 /nfs/dbraw/zinc/87/28/87/1071872887.db2.gz BRXUWMWMCBVPFD-DJKKODMXSA-N -1 0 515.780 6.201 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000409041988 1071873963 /nfs/dbraw/zinc/87/39/63/1071873963.db2.gz LSABQCUQILBVMD-OEAKJJBVSA-N -1 0 669.472 5.081 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408794695 1071884576 /nfs/dbraw/zinc/88/45/76/1071884576.db2.gz AWABYSUQAWLIMD-DJKKODMXSA-N -1 0 620.802 5.646 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408796437 1071879120 /nfs/dbraw/zinc/87/91/20/1071879120.db2.gz AGLZNPFMEXIKKF-RGVLZGJSSA-N -1 0 555.370 5.034 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409041474 1071879971 /nfs/dbraw/zinc/87/99/71/1071879971.db2.gz JPTGDQKOFFTNCG-QGMBQPNBSA-N -1 0 635.652 6.019 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408791205 1071891742 /nfs/dbraw/zinc/89/17/42/1071891742.db2.gz WVHQVZFEZBGYGW-UDWIEESQSA-N -1 0 588.785 5.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408789970 1071893869 /nfs/dbraw/zinc/89/38/69/1071893869.db2.gz PCZVTGILMUJDLE-DEDYPNTBSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408789998 1071893961 /nfs/dbraw/zinc/89/39/61/1071893961.db2.gz PNCMJUGOEUHVEF-FRKPEAEDSA-N -1 0 684.754 7.071 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408789535 1071894963 /nfs/dbraw/zinc/89/49/63/1071894963.db2.gz LZTPNSYREMBDOC-YDZHTSKRSA-N -1 0 518.997 5.909 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409039844 1071895208 /nfs/dbraw/zinc/89/52/08/1071895208.db2.gz DVEZQMAKTUBJOE-DJKKODMXSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409039733 1071896938 /nfs/dbraw/zinc/89/69/38/1071896938.db2.gz DFDAMTGNZKZBSJ-WYMPLXKRSA-N -1 0 642.322 8.125 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408806724 1071903863 /nfs/dbraw/zinc/90/38/63/1071903863.db2.gz BKPKSSMMBNSASC-GIJQJNRQSA-N -1 0 651.284 6.469 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408806422 1071904328 /nfs/dbraw/zinc/90/43/28/1071904328.db2.gz NBFVTAGHPGGGTG-OVVQPSECSA-N -1 0 534.612 6.355 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C1=O ZINC000408806393 1071904614 /nfs/dbraw/zinc/90/46/14/1071904614.db2.gz JBNRYRLPTKCZGH-XDHOZWIPSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408805955 1071905081 /nfs/dbraw/zinc/90/50/81/1071905081.db2.gz CYQODZPVUBGTRH-CIAFOILYSA-N -1 0 594.418 5.618 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409038606 1071905241 /nfs/dbraw/zinc/90/52/41/1071905241.db2.gz AEVQAOHZGSUJLN-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408805808 1071905791 /nfs/dbraw/zinc/90/57/91/1071905791.db2.gz HSLVYYXXSGIFJV-GIJQJNRQSA-N -1 0 604.284 6.627 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409039273 1071900762 /nfs/dbraw/zinc/90/07/62/1071900762.db2.gz CEFWIYNWOMLNCN-LICLKQGHSA-N -1 0 544.778 5.331 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408807055 1071901482 /nfs/dbraw/zinc/90/14/82/1071901482.db2.gz JZQDTEDWZKOLFB-FSJBWODESA-N -1 0 605.872 6.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408806828 1071902436 /nfs/dbraw/zinc/90/24/36/1071902436.db2.gz BWJAENPIJODBKS-CAOOACKPSA-N -1 0 668.227 5.760 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408805723 1071906271 /nfs/dbraw/zinc/90/62/71/1071906271.db2.gz CJWDUUCHAZUFGM-HYARGMPZSA-N -1 0 519.395 5.620 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408806625 1071902975 /nfs/dbraw/zinc/90/29/75/1071902975.db2.gz FWYYXEDNRAARIT-RGVLZGJSSA-N -1 0 602.812 5.507 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000409039187 1071903134 /nfs/dbraw/zinc/90/31/34/1071903134.db2.gz BWCXPAGHGDCEHO-VCHYOVAHSA-N -1 0 648.691 5.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409038591 1071907892 /nfs/dbraw/zinc/90/78/92/1071907892.db2.gz ABYQJSYUZBXBGO-YBFXNURJSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408805114 1071908047 /nfs/dbraw/zinc/90/80/47/1071908047.db2.gz DYGKTEMXBBYAHZ-WPWMEQJKSA-N -1 0 569.013 6.173 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408805142 1071908063 /nfs/dbraw/zinc/90/80/63/1071908063.db2.gz IVJKWRLCXAYIFH-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409049510 1071913401 /nfs/dbraw/zinc/91/34/01/1071913401.db2.gz XHSCXYFPOIWDTD-MFKUBSTISA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409047346 1071909955 /nfs/dbraw/zinc/90/99/55/1071909955.db2.gz OKFQVPKPVUWGQM-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408803081 1071910461 /nfs/dbraw/zinc/91/04/61/1071910461.db2.gz LCYRJHJOPDRQAJ-DJKKODMXSA-N -1 0 600.809 5.573 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409050704 1071910708 /nfs/dbraw/zinc/91/07/08/1071910708.db2.gz YSDQQQRENBIQGV-VIZOYTHASA-N -1 0 570.643 7.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408803070 1071910747 /nfs/dbraw/zinc/91/07/47/1071910747.db2.gz KXVGWBFNEWAGET-VXLYETTFSA-N -1 0 512.305 5.147 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)c1C ZINC000408803064 1071910787 /nfs/dbraw/zinc/91/07/87/1071910787.db2.gz KWVJNRZDAWPOFW-PCLIKHOPSA-N -1 0 555.428 6.465 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408802149 1071912476 /nfs/dbraw/zinc/91/24/76/1071912476.db2.gz XDDYMKPHRMYSMC-CNHKJKLMSA-N -1 0 566.224 6.554 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1 ZINC000409049450 1071912854 /nfs/dbraw/zinc/91/28/54/1071912854.db2.gz QXGJXYOAPZNSGN-ZVHZXABRSA-N -1 0 664.306 6.397 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1 ZINC000409056500 1071921273 /nfs/dbraw/zinc/92/12/73/1071921273.db2.gz MMTJYQZJVRSTTH-RGVLZGJSSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409056380 1071922449 /nfs/dbraw/zinc/92/24/49/1071922449.db2.gz LVBJFIKVCLBIMY-YDZHTSKRSA-N -1 0 596.264 7.155 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409053869 1071937199 /nfs/dbraw/zinc/93/71/99/1071937199.db2.gz DDUHHKAXKYJSLU-VGOFMYFVSA-N -1 0 542.611 5.320 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409052768 1071943395 /nfs/dbraw/zinc/94/33/95/1071943395.db2.gz AHXIQXNIKXBMCE-OQLLNIDSSA-N -1 0 519.743 6.031 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409052728 1071944940 /nfs/dbraw/zinc/94/49/40/1071944940.db2.gz AECNRTWXOCTJLK-FYJGNVAPSA-N -1 0 614.290 6.246 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409052757 1071945407 /nfs/dbraw/zinc/94/54/07/1071945407.db2.gz AFZCNTHIIQPHMM-VXLYETTFSA-N -1 0 653.096 6.359 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409049903 1071961127 /nfs/dbraw/zinc/96/11/27/1071961127.db2.gz RGOANDWGMHHTEZ-QGMBQPNBSA-N -1 0 566.224 6.554 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409050125 1071960691 /nfs/dbraw/zinc/96/06/91/1071960691.db2.gz ZCGHRFFKEAPMJA-RGVLZGJSSA-N -1 0 643.288 5.213 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(C)C)C2=O)cc1C ZINC000409050388 1071958427 /nfs/dbraw/zinc/95/84/27/1071958427.db2.gz VGEWWIQTGRSJSA-GIJQJNRQSA-N -1 0 550.247 5.530 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2F)C1=O ZINC000409050171 1071958882 /nfs/dbraw/zinc/95/88/82/1071958882.db2.gz ZUOQALNGMIGZAS-GIJQJNRQSA-N -1 0 622.672 6.558 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409049258 1071966704 /nfs/dbraw/zinc/96/67/04/1071966704.db2.gz YNZYQMIPZNKELI-LZYBPNLTSA-N -1 0 672.344 6.469 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409049835 1071962889 /nfs/dbraw/zinc/96/28/89/1071962889.db2.gz XXWAAJJYJURCRK-GIJQJNRQSA-N -1 0 635.652 6.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409049386 1071965105 /nfs/dbraw/zinc/96/51/05/1071965105.db2.gz WLWBWUFYJKGFHD-QGMBQPNBSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409049155 1071965536 /nfs/dbraw/zinc/96/55/36/1071965536.db2.gz VCWYRWBGPOUACJ-DJKKODMXSA-N -1 0 635.652 6.019 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C1=O ZINC000409048546 1071969263 /nfs/dbraw/zinc/96/92/63/1071969263.db2.gz RUIGBEZQPGDZFO-RQZCQDPDSA-N -1 0 683.578 7.181 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000409048258 1071972136 /nfs/dbraw/zinc/97/21/36/1071972136.db2.gz SCGZSFVYESBRNO-VXLYETTFSA-N -1 0 604.226 5.605 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409048091 1071975525 /nfs/dbraw/zinc/97/55/25/1071975525.db2.gz RFICMAZRWGNULR-WOJGMQOQSA-N -1 0 574.200 5.596 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c1 ZINC000409058812 1071984927 /nfs/dbraw/zinc/98/49/27/1071984927.db2.gz TYALVWLYUFJOGZ-XDHOZWIPSA-N -1 0 582.838 5.403 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409066475 1071995478 /nfs/dbraw/zinc/99/54/78/1071995478.db2.gz NEGKLIDQHDOPDP-CXUHLZMHSA-N -1 0 675.138 5.953 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409066683 1072001004 /nfs/dbraw/zinc/00/10/04/1072001004.db2.gz CESGVLOABIEXRV-RQZCQDPDSA-N -1 0 685.690 5.207 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409066996 1071999198 /nfs/dbraw/zinc/99/91/98/1071999198.db2.gz NEJNMSFWZJAXBO-RQZCQDPDSA-N -1 0 658.683 5.438 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409065653 1072007000 /nfs/dbraw/zinc/00/70/00/1072007000.db2.gz KBAJLMDNUVSQIB-CXUHLZMHSA-N -1 0 579.881 5.695 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1Cl ZINC000409065782 1072006196 /nfs/dbraw/zinc/00/61/96/1072006196.db2.gz NFHJVPLMHGKPRU-RQZCQDPDSA-N -1 0 654.720 5.608 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409064582 1072015254 /nfs/dbraw/zinc/01/52/54/1072015254.db2.gz HODVJAWHDNOAMX-LICLKQGHSA-N -1 0 596.242 5.190 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409065251 1072010854 /nfs/dbraw/zinc/01/08/54/1072010854.db2.gz ILFZVDGIFCLVIU-GIJQJNRQSA-N -1 0 600.263 6.043 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409064048 1072017594 /nfs/dbraw/zinc/01/75/94/1072017594.db2.gz FXQBCYBZILZSSZ-LICLKQGHSA-N -1 0 551.791 5.081 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409063891 1072018540 /nfs/dbraw/zinc/01/85/40/1072018540.db2.gz ANCFLOIVRCNDQB-YBFXNURJSA-N -1 0 666.877 5.086 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000409063797 1072019469 /nfs/dbraw/zinc/01/94/69/1072019469.db2.gz ADICKFPIXIYSAO-FYJGNVAPSA-N -1 0 649.903 5.334 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409063820 1072019490 /nfs/dbraw/zinc/01/94/90/1072019490.db2.gz AHPZJXDVYYPKNG-UHFFFAOYSA-N -1 0 597.421 6.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409060155 1072035996 /nfs/dbraw/zinc/03/59/96/1072035996.db2.gz XXSWRHDRAWWNEU-LPYMAVHISA-N -1 0 517.368 6.392 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409060208 1072036457 /nfs/dbraw/zinc/03/64/57/1072036457.db2.gz YKFPHIHPMXTHMS-DJKKODMXSA-N -1 0 680.103 6.128 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C1=O ZINC000409059668 1072038356 /nfs/dbraw/zinc/03/83/56/1072038356.db2.gz WMULMMFKZNAWIO-DJKKODMXSA-N -1 0 550.225 6.854 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409077062 1072043181 /nfs/dbraw/zinc/04/31/81/1072043181.db2.gz CYDJDMDKNSTFAE-XDHOZWIPSA-N -1 0 527.411 5.081 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076939 1072045518 /nfs/dbraw/zinc/04/55/18/1072045518.db2.gz BXHLWHHRTFGVGX-WOJGMQOQSA-N -1 0 597.334 5.123 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076961 1072045827 /nfs/dbraw/zinc/04/58/27/1072045827.db2.gz CAMHMAVFZNQEFE-XNTDXEJSSA-N -1 0 566.275 6.379 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl ZINC000409076601 1072048416 /nfs/dbraw/zinc/04/84/16/1072048416.db2.gz AZJOKRVKUDGZSU-GIDUJCDVSA-N -1 0 680.649 6.449 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409076760 1072046876 /nfs/dbraw/zinc/04/68/76/1072046876.db2.gz BSRDOISKHQYAIZ-VIZOYTHASA-N -1 0 700.174 6.506 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409076834 1072047395 /nfs/dbraw/zinc/04/73/95/1072047395.db2.gz CJSZQYGVEWNKJM-CXUHLZMHSA-N -1 0 594.271 5.974 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409075550 1072058517 /nfs/dbraw/zinc/05/85/17/1072058517.db2.gz WWJBNDLRDKISOG-WOJGMQOQSA-N -1 0 685.144 5.408 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1C ZINC000409075456 1072060163 /nfs/dbraw/zinc/06/01/63/1072060163.db2.gz YWZRRWZUILLCDF-RGVLZGJSSA-N -1 0 579.845 5.698 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409075054 1072063952 /nfs/dbraw/zinc/06/39/52/1072063952.db2.gz SROKIQUDRJIEMC-YBFXNURJSA-N -1 0 610.269 5.498 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075092 1072064529 /nfs/dbraw/zinc/06/45/29/1072064529.db2.gz UFDKKCLLDRYYBX-VXLYETTFSA-N -1 0 609.871 5.788 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409074957 1072065516 /nfs/dbraw/zinc/06/55/16/1072065516.db2.gz VRCSKHUPPOQVSX-CXUHLZMHSA-N -1 0 586.236 5.734 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409072820 1072079946 /nfs/dbraw/zinc/07/99/46/1072079946.db2.gz DSVJUTZYNAZTPW-CXUHLZMHSA-N -1 0 689.165 6.261 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409072897 1072080383 /nfs/dbraw/zinc/08/03/83/1072080383.db2.gz LOBSRGUYNQSJHB-LDADJPATSA-N -1 0 610.269 5.498 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409072560 1072082164 /nfs/dbraw/zinc/08/21/64/1072082164.db2.gz SUMAJHIVFBHFAL-LDADJPATSA-N -1 0 619.877 5.244 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409072410 1072083220 /nfs/dbraw/zinc/08/32/20/1072083220.db2.gz RVCJICQODJKRAR-YZSQISJMSA-N -1 0 633.078 5.752 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070713 1072094428 /nfs/dbraw/zinc/09/44/28/1072094428.db2.gz LVKUVBFBOZUZGD-NLRVBDNBSA-N -1 0 589.025 5.353 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069877 1072098712 /nfs/dbraw/zinc/09/87/12/1072098712.db2.gz AYJRGUHARFYKLV-SFQUDFHCSA-N -1 0 596.242 5.190 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)[N-]C1=S ZINC000409070155 1072096524 /nfs/dbraw/zinc/09/65/24/1072096524.db2.gz DRJGLTYSMMSMSJ-SFQUDFHCSA-N -1 0 500.805 5.033 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409069099 1072106829 /nfs/dbraw/zinc/10/68/29/1072106829.db2.gz CAXNIGOTRVGALN-XDHOZWIPSA-N -1 0 567.816 5.907 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409068792 1072109343 /nfs/dbraw/zinc/10/93/43/1072109343.db2.gz VWYXHRBGUGDOAX-LICLKQGHSA-N -1 0 600.263 6.043 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067687 1072115614 /nfs/dbraw/zinc/11/56/14/1072115614.db2.gz QSQSYRHXQNJSEE-XDHOZWIPSA-N -1 0 640.693 5.299 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067405 1072117438 /nfs/dbraw/zinc/11/74/38/1072117438.db2.gz QPEDYQJNUOVHHI-GIJQJNRQSA-N -1 0 586.236 5.734 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409067503 1072118379 /nfs/dbraw/zinc/11/83/79/1072118379.db2.gz RATXEFHUMWBKKC-GIJQJNRQSA-N -1 0 689.165 6.261 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080373 1072122883 /nfs/dbraw/zinc/12/28/83/1072122883.db2.gz NKIWWZOKXRLOPS-RQZCQDPDSA-N -1 0 620.880 6.033 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409080300 1072124610 /nfs/dbraw/zinc/12/46/10/1072124610.db2.gz MVJXMJFPKVUJNS-VIZOYTHASA-N -1 0 689.622 7.251 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079498 1072132202 /nfs/dbraw/zinc/13/22/02/1072132202.db2.gz JXYWRCYCTTZNJW-RIYZIHGNSA-N -1 0 573.301 5.277 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1C ZINC000409078226 1072147015 /nfs/dbraw/zinc/14/70/15/1072147015.db2.gz HCKMZQAETCQNJF-CAOOACKPSA-N -1 0 594.329 6.996 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078048 1072148146 /nfs/dbraw/zinc/14/81/46/1072148146.db2.gz HLWPWWYRZYJJPY-FRKPEAEDSA-N -1 0 701.779 6.647 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077335 1072156120 /nfs/dbraw/zinc/15/61/20/1072156120.db2.gz DSFULRIUTXYNAJ-LICLKQGHSA-N -1 0 587.726 5.378 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086760 1072163895 /nfs/dbraw/zinc/16/38/95/1072163895.db2.gz BAOKKMWLPSCQEU-OVCLIPMQSA-N -1 0 587.328 5.586 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086026 1072172053 /nfs/dbraw/zinc/17/20/53/1072172053.db2.gz YAXSZYZYERFVQO-CAOOACKPSA-N -1 0 715.806 7.037 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409084966 1072183670 /nfs/dbraw/zinc/18/36/70/1072183670.db2.gz YAOFLUKRPGERNW-GIDUJCDVSA-N -1 0 588.272 5.177 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409084725 1072187462 /nfs/dbraw/zinc/18/74/62/1072187462.db2.gz XIMWJGHKQJWMJR-XDHOZWIPSA-N -1 0 552.883 5.014 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082539 1072212461 /nfs/dbraw/zinc/21/24/61/1072212461.db2.gz QELFINZQMGFHJZ-YDZHTSKRSA-N -1 0 736.431 6.154 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081946 1072218806 /nfs/dbraw/zinc/21/88/06/1072218806.db2.gz QRILVQSSUKXGNT-VCHYOVAHSA-N -1 0 589.910 6.433 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081552 1072221273 /nfs/dbraw/zinc/22/12/73/1072221273.db2.gz PXIJEJDIYIXQLK-CAOOACKPSA-N -1 0 668.806 7.195 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081038 1072227740 /nfs/dbraw/zinc/22/77/40/1072227740.db2.gz JIAQZYPTANITIF-CXUHLZMHSA-N -1 0 566.275 6.379 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)[N-]C1=S ZINC000409096976 1072231400 /nfs/dbraw/zinc/23/14/00/1072231400.db2.gz MTIYTXMFTXEKMW-LFIBNONCSA-N -1 0 501.789 5.502 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)SC2=S)c1 ZINC000409095557 1072239010 /nfs/dbraw/zinc/23/90/10/1072239010.db2.gz IHMIMVLWXQPLLT-CIAFOILYSA-N -1 0 526.433 6.132 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409094184 1072248280 /nfs/dbraw/zinc/24/82/80/1072248280.db2.gz CRVQFYXSDVWGCG-XDHOZWIPSA-N -1 0 551.361 5.392 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092952 1072257501 /nfs/dbraw/zinc/25/75/01/1072257501.db2.gz YAXTUAZOHNROAB-CAOOACKPSA-N -1 0 610.328 6.778 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409092500 1072261241 /nfs/dbraw/zinc/26/12/41/1072261241.db2.gz ZCUAFHVJZQDDDQ-XNTDXEJSSA-N -1 0 547.814 5.211 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092698 1072260282 /nfs/dbraw/zinc/26/02/82/1072260282.db2.gz VTQMYSNUFHTWOK-OVCLIPMQSA-N -1 0 577.720 5.922 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093082 1072255584 /nfs/dbraw/zinc/25/55/84/1072255584.db2.gz XEYDDSRESUNELP-VIZOYTHASA-N -1 0 736.224 7.382 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409092304 1072264482 /nfs/dbraw/zinc/26/44/82/1072264482.db2.gz TZTBEKFIASJZBQ-RQZCQDPDSA-N -1 0 636.333 5.852 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1Cl ZINC000409090695 1072279656 /nfs/dbraw/zinc/27/96/56/1072279656.db2.gz NLDSMPGYJJPRDH-LZYBPNLTSA-N -1 0 580.302 6.688 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409089643 1072287939 /nfs/dbraw/zinc/28/79/39/1072287939.db2.gz OLAFCHSQGLLTQE-YVLHZVERSA-N -1 0 518.853 6.194 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1C ZINC000409089148 1072291246 /nfs/dbraw/zinc/29/12/46/1072291246.db2.gz HJTTXGSPMVSNKW-YBFXNURJSA-N -1 0 581.335 5.341 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409089075 1072293245 /nfs/dbraw/zinc/29/32/45/1072293245.db2.gz LSHOBYXKPVCGOA-WSDLNYQXSA-N -1 0 738.301 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409088510 1072298458 /nfs/dbraw/zinc/29/84/58/1072298458.db2.gz FUVGCSHZZQDSHQ-VIZOYTHASA-N -1 0 645.171 7.142 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c1C)CCCC2 ZINC000409098418 1072332085 /nfs/dbraw/zinc/33/20/85/1072332085.db2.gz OSLKMPMXOFELGP-XSFVSMFZSA-N -1 0 582.147 6.004 40 10 KKCBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000409098025 1072335002 /nfs/dbraw/zinc/33/50/02/1072335002.db2.gz JWKKBOPOXLLYEV-VULFUBBASA-N -1 0 555.675 5.438 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409098021 1072335024 /nfs/dbraw/zinc/33/50/24/1072335024.db2.gz OQOIIGURNLVOQP-VULFUBBASA-N -1 0 636.557 6.828 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409102652 1072365247 /nfs/dbraw/zinc/36/52/47/1072365247.db2.gz ZEVHNYRMFBJXMN-UDWIEESQSA-N -1 0 529.868 6.085 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000409102773 1072364113 /nfs/dbraw/zinc/36/41/13/1072364113.db2.gz FCMOGCSLCAVOME-UFFVCSGVSA-N -1 0 595.323 7.439 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 ZINC000409102283 1072367028 /nfs/dbraw/zinc/36/70/28/1072367028.db2.gz YMXDMGQDYRDMDE-RVDMUPIBSA-N -1 0 552.155 5.055 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(OC)cc4OC)C3=O)c2-c2ccccc2)cc1 ZINC000409107367 1072367817 /nfs/dbraw/zinc/36/78/17/1072367817.db2.gz REZADZNXRIKTAC-OFWBYEQRSA-N -1 0 657.748 6.837 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409328719 1072389927 /nfs/dbraw/zinc/38/99/27/1072389927.db2.gz AAUSBRHSSAWXLE-ACAGNQJTSA-N -1 0 634.085 6.314 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409111293 1072394086 /nfs/dbraw/zinc/39/40/86/1072394086.db2.gz BJUSOCLAKVFKJV-JFLMPSFJSA-N -1 0 649.121 7.423 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)c1 ZINC000409107958 1072410030 /nfs/dbraw/zinc/41/00/30/1072410030.db2.gz YWWGJMOAJQFCSN-MFKUBSTISA-N -1 0 532.042 7.176 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC(C)C ZINC000409107893 1072411723 /nfs/dbraw/zinc/41/17/23/1072411723.db2.gz XSNRJMUTFDFLNK-OQLLNIDSSA-N -1 0 584.863 5.270 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC1=S)c1cccs1 ZINC000409346464 1072416025 /nfs/dbraw/zinc/41/60/25/1072416025.db2.gz KTXSZWORDLCSFA-HZHRSRAPSA-N -1 0 502.642 6.027 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409122813 1072420489 /nfs/dbraw/zinc/42/04/89/1072420489.db2.gz BYNBEQMYBSCIRH-YDZHTSKRSA-N -1 0 702.396 6.649 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1Cl ZINC000409343926 1072436182 /nfs/dbraw/zinc/43/61/82/1072436182.db2.gz DVTOUWIDNRKFRX-ZDLGFXPLSA-N -1 0 519.387 5.498 40 10 KKCBRM CSc1cccc(N2C(=O)/C(=C\c3cc(I)c([O-])c(I)c3)SC2=S)c1 ZINC000409343979 1072436654 /nfs/dbraw/zinc/43/66/54/1072436654.db2.gz FCFNOMJONLGIGU-VGOFMYFVSA-N -1 0 611.289 5.729 40 10 KKCBRM Cc1c(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409341857 1072452660 /nfs/dbraw/zinc/45/26/60/1072452660.db2.gz CMQUKYPHJZFWHF-XKZIYDEJSA-N -1 0 507.637 5.745 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409126247 1072454444 /nfs/dbraw/zinc/45/44/44/1072454444.db2.gz BHFKBNUAUNQFBD-HZHRSRAPSA-N -1 0 597.437 5.627 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OC ZINC000409125779 1072456612 /nfs/dbraw/zinc/45/66/12/1072456612.db2.gz KJPDLIPFYGACGN-BUVRLJJBSA-N -1 0 579.447 5.488 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409124081 1072468633 /nfs/dbraw/zinc/46/86/33/1072468633.db2.gz KBNKSFJWDYUNRY-LPYMAVHISA-N -1 0 613.892 6.141 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409127296 1072472488 /nfs/dbraw/zinc/47/24/88/1072472488.db2.gz PJORPOOKEBPENP-CIAFOILYSA-N -1 0 740.956 5.180 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409339697 1072472874 /nfs/dbraw/zinc/47/28/74/1072472874.db2.gz KSVISQZTJKPSTB-YBFXNURJSA-N -1 0 579.494 5.784 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S)c1cccs1 ZINC000409339370 1072475308 /nfs/dbraw/zinc/47/53/08/1072475308.db2.gz UPAMJLGEKKUCAO-YBFXNURJSA-N -1 0 565.923 6.289 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000409136718 1072475773 /nfs/dbraw/zinc/47/57/73/1072475773.db2.gz USFTXJRXLPWGNT-SRZZPIQSSA-N -1 0 603.886 6.685 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000409136688 1072477534 /nfs/dbraw/zinc/47/75/34/1072477534.db2.gz YLCYBMFQYLWBQT-YDZHTSKRSA-N -1 0 569.441 6.032 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)SC2=S)cc1 ZINC000409339301 1072477621 /nfs/dbraw/zinc/47/76/21/1072477621.db2.gz GZSVDQOWBOMJFQ-ZSOIEALJSA-N -1 0 579.222 5.316 40 10 KKCBRM Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409338923 1072481802 /nfs/dbraw/zinc/48/18/02/1072481802.db2.gz QTUPCIUNBCEKOT-CIAFOILYSA-N -1 0 526.039 5.300 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S)c1cccs1 ZINC000409338448 1072486059 /nfs/dbraw/zinc/48/60/59/1072486059.db2.gz KELSDJNFEADBMZ-UNOMPAQXSA-N -1 0 531.478 5.636 40 10 KKCBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000409338129 1072488896 /nfs/dbraw/zinc/48/88/96/1072488896.db2.gz DOPWUYSSTIPVOL-ODLFYWEKSA-N -1 0 500.395 6.122 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409134032 1072495050 /nfs/dbraw/zinc/49/50/50/1072495050.db2.gz OKENAIHKFCPTFI-YBFXNURJSA-N -1 0 526.431 5.444 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1OC ZINC000409133741 1072497160 /nfs/dbraw/zinc/49/71/60/1072497160.db2.gz RERJSQOJVROMRN-HYARGMPZSA-N -1 0 569.441 6.032 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1C ZINC000409133529 1072497734 /nfs/dbraw/zinc/49/77/34/1072497734.db2.gz MCZJLNRYTBVKLZ-BRPDVVIDSA-N -1 0 632.583 8.022 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409132955 1072501600 /nfs/dbraw/zinc/50/16/00/1072501600.db2.gz YSBVRWHRQAPSRR-OEAKJJBVSA-N -1 0 583.468 6.340 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409355164 1072510520 /nfs/dbraw/zinc/51/05/20/1072510520.db2.gz JLMXGAJPELUFKB-ZSOIEALJSA-N -1 0 542.213 5.610 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409130600 1072513919 /nfs/dbraw/zinc/51/39/19/1072513919.db2.gz WQSMSSWIAIFZQX-OEAKJJBVSA-N -1 0 579.049 5.777 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409129798 1072518329 /nfs/dbraw/zinc/51/83/29/1072518329.db2.gz SNKDWJYWEARSHT-OEAKJJBVSA-N -1 0 500.023 5.791 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1C ZINC000409127443 1072531186 /nfs/dbraw/zinc/53/11/86/1072531186.db2.gz QBXFBVAVCQLWBT-BRPDVVIDSA-N -1 0 588.132 7.913 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c(Cl)c1 ZINC000409144306 1072536793 /nfs/dbraw/zinc/53/67/93/1072536793.db2.gz JOXAFBAMKYFUTP-VXLYETTFSA-N -1 0 523.850 6.761 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S)c1cccs1 ZINC000409351256 1072537130 /nfs/dbraw/zinc/53/71/30/1072537130.db2.gz SQTQHSFQINKNRP-MTJSOVHGSA-N -1 0 520.617 5.206 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409350650 1072541212 /nfs/dbraw/zinc/54/12/12/1072541212.db2.gz SDEIFLIVUFFDQC-UDWIEESQSA-N -1 0 667.528 5.785 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409141924 1072550975 /nfs/dbraw/zinc/55/09/75/1072550975.db2.gz KGDMMRADVNUYPM-PXLXIMEGSA-N -1 0 569.441 6.032 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409349293 1072552039 /nfs/dbraw/zinc/55/20/39/1072552039.db2.gz VOAJZZQXQXDLAC-KEBDBYFISA-N -1 0 551.498 6.189 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)SC2=S)cc1Cl ZINC000409348480 1072556434 /nfs/dbraw/zinc/55/64/34/1072556434.db2.gz NQOLZUWENOVLON-GRSHGNNSSA-N -1 0 506.388 6.366 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)SC1=S)c1cccs1 ZINC000409348495 1072556530 /nfs/dbraw/zinc/55/65/30/1072556530.db2.gz SYGVILYRZULSLZ-HAHDFKILSA-N -1 0 502.642 6.027 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl ZINC000409348316 1072557278 /nfs/dbraw/zinc/55/72/78/1072557278.db2.gz SLJUCSJZHAFQCZ-ZDLGFXPLSA-N -1 0 520.813 6.467 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409348203 1072558763 /nfs/dbraw/zinc/55/87/63/1072558763.db2.gz RRRXITNBYQFOTB-IDUWFGFVSA-N -1 0 624.305 5.862 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409365615 1072578855 /nfs/dbraw/zinc/57/88/55/1072578855.db2.gz VARWDGOYNCNQOA-XKZIYDEJSA-N -1 0 626.037 5.359 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409145586 1072586813 /nfs/dbraw/zinc/58/68/13/1072586813.db2.gz QJLAOUCIUCRBNZ-SRZZPIQSSA-N -1 0 703.340 6.158 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000409363859 1072588304 /nfs/dbraw/zinc/58/83/04/1072588304.db2.gz VKRQJQWOFNSTQD-CXUHLZMHSA-N -1 0 521.795 5.265 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409363234 1072591202 /nfs/dbraw/zinc/59/12/02/1072591202.db2.gz KLOLATRPZUDBIQ-YUMHPJSZSA-N -1 0 644.055 6.141 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361710 1072598115 /nfs/dbraw/zinc/59/81/15/1072598115.db2.gz DBBCYJDDOBZLGB-ODLFYWEKSA-N -1 0 677.854 5.475 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361784 1072598557 /nfs/dbraw/zinc/59/85/57/1072598557.db2.gz DGLDSNLXRGHOAY-ZDLGFXPLSA-N -1 0 572.376 5.133 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152150 1072620822 /nfs/dbraw/zinc/62/08/22/1072620822.db2.gz JPVOQJXARIJNDW-UZINWLIJSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409150275 1072630437 /nfs/dbraw/zinc/63/04/37/1072630437.db2.gz ASHHDKHZEAFJJR-GOHWNWGWSA-N -1 0 520.423 6.870 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409375970 1072631168 /nfs/dbraw/zinc/63/11/68/1072631168.db2.gz RMRRKZOTWSMSQI-MTDXEUNCSA-N -1 0 582.707 6.547 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409375256 1072633230 /nfs/dbraw/zinc/63/32/30/1072633230.db2.gz HZBAJHSTJZSFCW-LPYMAVHISA-N -1 0 673.504 5.240 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409374756 1072635461 /nfs/dbraw/zinc/63/54/61/1072635461.db2.gz YNDXAESGTCHRGW-VXLYETTFSA-N -1 0 604.251 5.444 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409374286 1072638139 /nfs/dbraw/zinc/63/81/39/1072638139.db2.gz LJUIOUHEGUVXHI-VCHYOVAHSA-N -1 0 515.349 5.226 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000409374327 1072638201 /nfs/dbraw/zinc/63/82/01/1072638201.db2.gz MNILQIWQGJEAAG-VXLYETTFSA-N -1 0 606.800 5.177 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409373309 1072641766 /nfs/dbraw/zinc/64/17/66/1072641766.db2.gz GWHDKBQFPHZGAS-VXLYETTFSA-N -1 0 651.251 5.286 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)cc1 ZINC000409147919 1072646340 /nfs/dbraw/zinc/64/63/40/1072646340.db2.gz WOENCTXPBSRNMM-BUVRLJJBSA-N -1 0 522.630 5.037 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409371678 1072648213 /nfs/dbraw/zinc/64/82/13/1072648213.db2.gz GADGCRORHIYFOY-FRKPEAEDSA-N -1 0 627.218 5.441 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000409371058 1072650745 /nfs/dbraw/zinc/65/07/45/1072650745.db2.gz ASWAUMRUHSSQBH-LPYMAVHISA-N -1 0 521.356 5.981 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409371023 1072651239 /nfs/dbraw/zinc/65/12/39/1072651239.db2.gz AJKHKJVUYBXLSC-VXLYETTFSA-N -1 0 604.251 5.444 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409370545 1072653901 /nfs/dbraw/zinc/65/39/01/1072653901.db2.gz SUMWLAISSKTCJE-BUVRLJJBSA-N -1 0 500.023 5.737 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC ZINC000409369669 1072658052 /nfs/dbraw/zinc/65/80/52/1072658052.db2.gz DRAVRHKCKFZSGH-LFVJCYFKSA-N -1 0 652.498 5.329 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409379320 1072671416 /nfs/dbraw/zinc/67/14/16/1072671416.db2.gz WBQDYPICDMZXNC-XYGWBWBKSA-N -1 0 688.506 6.250 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409378794 1072672671 /nfs/dbraw/zinc/67/26/71/1072672671.db2.gz SAQKFSKUSWNTSC-MTJSOVHGSA-N -1 0 628.863 5.194 40 10 KKCBRM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409162058 1072673169 /nfs/dbraw/zinc/67/31/69/1072673169.db2.gz CHWOMRLIFMPBLN-NHDPSOOVSA-N -1 0 589.409 5.803 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409378581 1072675259 /nfs/dbraw/zinc/67/52/59/1072675259.db2.gz QJEGQLJXQHHDCM-MFKUBSTISA-N -1 0 648.522 6.426 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)cc4Cl)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409378490 1072676338 /nfs/dbraw/zinc/67/63/38/1072676338.db2.gz QCGUQRDXGGQPOX-KEBDBYFISA-N -1 0 620.352 6.737 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409378266 1072676757 /nfs/dbraw/zinc/67/67/57/1072676757.db2.gz OEPWISIDXUKYBO-RGVLZGJSSA-N -1 0 681.379 6.969 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1C ZINC000409386534 1072685637 /nfs/dbraw/zinc/68/56/37/1072685637.db2.gz MHWWLHOUMDCMFL-CIAFOILYSA-N -1 0 554.455 5.459 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409386492 1072687017 /nfs/dbraw/zinc/68/70/17/1072687017.db2.gz LVKVGFZOOOGZBA-OEAKJJBVSA-N -1 0 682.524 5.338 40 10 KKCBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409385365 1072692926 /nfs/dbraw/zinc/69/29/26/1072692926.db2.gz HZJUZJITAIKUPT-NGPAHMQLSA-N -1 0 513.830 5.664 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409384208 1072699443 /nfs/dbraw/zinc/69/94/43/1072699443.db2.gz CDERTLCBLRMLNR-VEILYXNESA-N -1 0 656.489 5.721 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC ZINC000409382112 1072708830 /nfs/dbraw/zinc/70/88/30/1072708830.db2.gz YDYRNFCNSWNHGB-LFVJCYFKSA-N -1 0 608.047 5.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409381473 1072711394 /nfs/dbraw/zinc/71/13/94/1072711394.db2.gz MMOXASSYXVJDDY-YBFXNURJSA-N -1 0 628.863 5.194 40 10 KKCBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409381156 1072713096 /nfs/dbraw/zinc/71/30/96/1072713096.db2.gz DGZFHYJAJGMPLP-GGNJANJASA-N -1 0 523.836 5.120 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000409380987 1072713966 /nfs/dbraw/zinc/71/39/66/1072713966.db2.gz CNOMCSDAZRSGTC-XYGWBWBKSA-N -1 0 686.515 5.729 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381043 1072714700 /nfs/dbraw/zinc/71/47/00/1072714700.db2.gz RDGQKMGFLOCAPT-YZSQISJMSA-N -1 0 522.626 5.821 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409380861 1072715034 /nfs/dbraw/zinc/71/50/34/1072715034.db2.gz BHQSLOTVVGPBAX-HYARGMPZSA-N -1 0 521.038 5.711 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000409380138 1072719065 /nfs/dbraw/zinc/71/90/65/1072719065.db2.gz IYILXFBXSRLDAE-XYGWBWBKSA-N -1 0 642.064 5.620 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)[N-]C1=S ZINC000409174966 1072719955 /nfs/dbraw/zinc/71/99/55/1072719955.db2.gz WXQUHDXWKPHUDL-XSFVSMFZSA-N -1 0 501.995 5.183 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409389055 1072734150 /nfs/dbraw/zinc/73/41/50/1072734150.db2.gz YZJIIEIERHLVQM-FYJGNVAPSA-N -1 0 586.426 5.403 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Cl)cc1 ZINC000409400480 1072745575 /nfs/dbraw/zinc/74/55/75/1072745575.db2.gz RSMQVEAQRYZHIB-WQRHYEAKSA-N -1 0 548.220 5.805 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409399854 1072747731 /nfs/dbraw/zinc/74/77/31/1072747731.db2.gz NZEITBKLHIZLEU-BOPFTXTBSA-N -1 0 596.692 6.848 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(F)cc1 ZINC000409399774 1072748179 /nfs/dbraw/zinc/74/81/79/1072748179.db2.gz MCYAZNIKBPUTCZ-WQRHYEAKSA-N -1 0 531.765 5.291 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Br)cc2Br)c([N+](=O)[O-])c1 ZINC000409399804 1072748215 /nfs/dbraw/zinc/74/82/15/1072748215.db2.gz MQOBOFGDZWEOMQ-IUXPMGMMSA-N -1 0 652.093 5.923 40 10 KKCBRM Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1Br ZINC000409399611 1072748756 /nfs/dbraw/zinc/74/87/56/1072748756.db2.gz KPHQKBLXIMCXOE-HMAPJEAMSA-N -1 0 565.265 5.984 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(F)c1 ZINC000409399583 1072749599 /nfs/dbraw/zinc/74/95/99/1072749599.db2.gz JWKULRNYRZDZBS-WQRHYEAKSA-N -1 0 531.765 5.291 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br ZINC000409399409 1072750115 /nfs/dbraw/zinc/75/01/15/1072750115.db2.gz IGQWHUQQRJVOAQ-NVMNQCDNSA-N -1 0 607.642 5.814 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000409398867 1072751510 /nfs/dbraw/zinc/75/15/10/1072751510.db2.gz FHGIOFODCBDBAN-XKZIYDEJSA-N -1 0 544.361 5.551 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409398465 1072752332 /nfs/dbraw/zinc/75/23/32/1072752332.db2.gz BAMZCJFRQVTHGJ-WQRHYEAKSA-N -1 0 591.245 5.243 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000409407226 1072754759 /nfs/dbraw/zinc/75/47/59/1072754759.db2.gz DRBNLRKUWILYGO-LBOBZYTGSA-N -1 0 523.770 5.183 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000409186451 1072762191 /nfs/dbraw/zinc/76/21/91/1072762191.db2.gz CDXNNUSONDOUTI-CIAFOILYSA-N -1 0 586.305 5.930 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185827 1072767207 /nfs/dbraw/zinc/76/72/07/1072767207.db2.gz QWQYDFDDPFHIJY-NRNSZXCESA-N -1 0 823.709 7.962 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185687 1072768527 /nfs/dbraw/zinc/76/85/27/1072768527.db2.gz OQHAOUWQNDMCEK-PUKRFAOESA-N -1 0 684.818 7.186 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409403716 1072770261 /nfs/dbraw/zinc/77/02/61/1072770261.db2.gz ASVNWQKMVZETLG-UNOMPAQXSA-N -1 0 528.200 5.252 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185125 1072772610 /nfs/dbraw/zinc/77/26/10/1072772610.db2.gz JMLOFNBHYGMJBL-AMOHQIIPSA-N -1 0 677.020 7.201 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184347 1072777194 /nfs/dbraw/zinc/77/71/94/1072777194.db2.gz GFBVRFFFASAFIT-RQBSVBTHSA-N -1 0 902.605 8.724 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3Cl)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184210 1072778175 /nfs/dbraw/zinc/77/81/75/1072778175.db2.gz FPUWCDRIBPCNII-YCYBFXTKSA-N -1 0 719.263 7.839 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)C1=O ZINC000409184262 1072778498 /nfs/dbraw/zinc/77/84/98/1072778498.db2.gz JVLOVYPZOYTZTQ-RGVLZGJSSA-N -1 0 649.133 6.528 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1Cl ZINC000409400923 1072783371 /nfs/dbraw/zinc/78/33/71/1072783371.db2.gz VNNGWIKHCRQTPI-PDGQHHTCSA-N -1 0 562.247 6.195 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409400967 1072783896 /nfs/dbraw/zinc/78/38/96/1072783896.db2.gz WPJIDVNPRJMLCL-ZDLGFXPLSA-N -1 0 518.194 5.796 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409400831 1072784927 /nfs/dbraw/zinc/78/49/27/1072784927.db2.gz UNTZOGXITYSADV-WQRHYEAKSA-N -1 0 603.223 5.169 40 10 KKCBRM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1Cl ZINC000409179412 1072810129 /nfs/dbraw/zinc/81/01/29/1072810129.db2.gz MYVGTFYMSNYHFX-JMIUGGIZSA-N -1 0 531.373 5.935 40 10 KKCBRM CCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409409357 1072810977 /nfs/dbraw/zinc/81/09/77/1072810977.db2.gz OAMGCWRRVPTTOF-LTGZKZEYSA-N -1 0 510.587 5.118 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409196700 1072830615 /nfs/dbraw/zinc/83/06/15/1072830615.db2.gz YPMTZIZYQVSPLW-LFVJCYFKSA-N -1 0 627.919 6.531 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195499 1072836761 /nfs/dbraw/zinc/83/67/61/1072836761.db2.gz VUVFUTFGTGXQRI-LPYMAVHISA-N -1 0 583.468 6.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409193388 1072849674 /nfs/dbraw/zinc/84/96/74/1072849674.db2.gz JSMOKYGYJJDPKS-MFKUBSTISA-N -1 0 651.554 6.585 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409192809 1072852889 /nfs/dbraw/zinc/85/28/89/1072852889.db2.gz BMKVSIAHRMERIG-XQNSMLJCSA-N -1 0 627.919 6.531 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409191362 1072862805 /nfs/dbraw/zinc/86/28/05/1072862805.db2.gz WMKLGMKXNFTFRZ-LPYMAVHISA-N -1 0 704.945 6.382 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409191186 1072863446 /nfs/dbraw/zinc/86/34/46/1072863446.db2.gz UKTJNYOUZCYDRN-TURZUDJPSA-N -1 0 582.628 6.407 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191224 1072863484 /nfs/dbraw/zinc/86/34/84/1072863484.db2.gz DRIKQPRVLNJJKN-ZVHZXABRSA-N -1 0 671.972 6.930 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409191130 1072865036 /nfs/dbraw/zinc/86/50/36/1072865036.db2.gz SWKAQLYXXSZJFK-ZTKZIYFRSA-N -1 0 578.665 6.577 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190900 1072865726 /nfs/dbraw/zinc/86/57/26/1072865726.db2.gz AXVSGUZEFVHNPQ-MFKUBSTISA-N -1 0 607.103 6.476 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409191009 1072866442 /nfs/dbraw/zinc/86/64/42/1072866442.db2.gz YHCIFYUNOCYTJH-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)cc1 ZINC000409190637 1072867435 /nfs/dbraw/zinc/86/74/35/1072867435.db2.gz UDLXSMLMCLSBPN-CIAFOILYSA-N -1 0 586.236 5.466 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190580 1072869467 /nfs/dbraw/zinc/86/94/67/1072869467.db2.gz ZUEZSLOBLSWSAH-ZVHZXABRSA-N -1 0 671.972 6.930 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409189862 1072872580 /nfs/dbraw/zinc/87/25/80/1072872580.db2.gz UKHPJMUVJQAGGP-VFCFBJKWSA-N -1 0 564.638 6.268 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189124 1072879384 /nfs/dbraw/zinc/87/93/84/1072879384.db2.gz DBSGQWALNNIZMZ-ZVHZXABRSA-N -1 0 627.521 6.821 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)C1=O ZINC000409188093 1072884811 /nfs/dbraw/zinc/88/48/11/1072884811.db2.gz AEGMWJOUAGMDLN-FYJGNVAPSA-N -1 0 584.264 6.019 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409187625 1072886382 /nfs/dbraw/zinc/88/63/82/1072886382.db2.gz ADMOGVAOXKVVMP-ZVHZXABRSA-N -1 0 763.423 6.881 40 10 KKCBRM CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1OCC(=O)[O-] ZINC000409204499 1072904303 /nfs/dbraw/zinc/90/43/03/1072904303.db2.gz HHEWLRGTUOOCCA-PXNMLYILSA-N -1 0 528.833 5.370 40 10 KKCBRM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409204183 1072905597 /nfs/dbraw/zinc/90/55/97/1072905597.db2.gz CWVJXUXLYPCXGW-LPYMAVHISA-N -1 0 568.991 5.540 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S)c1cccs1 ZINC000409201744 1072915971 /nfs/dbraw/zinc/91/59/71/1072915971.db2.gz PJNNFQUFFVYRRZ-MYYYXRDXSA-N -1 0 525.680 6.451 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)ccc1Cl ZINC000409201559 1072917255 /nfs/dbraw/zinc/91/72/55/1072917255.db2.gz WIESYJANQBCDFE-VCHYOVAHSA-N -1 0 520.813 6.467 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1C ZINC000409226561 1072973483 /nfs/dbraw/zinc/97/34/83/1072973483.db2.gz UPBDQTDKKJRCDA-LPYMAVHISA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226189 1072976150 /nfs/dbraw/zinc/97/61/50/1072976150.db2.gz PLMGYIGDKDIUCT-KEBDBYFISA-N -1 0 694.309 5.989 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409225926 1072976204 /nfs/dbraw/zinc/97/62/04/1072976204.db2.gz SZLCHNQZSRXJLB-YBFXNURJSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409225759 1072977883 /nfs/dbraw/zinc/97/78/83/1072977883.db2.gz KVOHFNNDIZSUCS-CIAFOILYSA-N -1 0 540.458 5.950 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000409225044 1072981363 /nfs/dbraw/zinc/98/13/63/1072981363.db2.gz NDPWCSQOQWBDMZ-LFVJCYFKSA-N -1 0 636.499 5.629 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409224454 1072984048 /nfs/dbraw/zinc/98/40/48/1072984048.db2.gz LOEVGPJPHYUGMQ-VXLYETTFSA-N -1 0 663.706 5.558 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409224287 1072984962 /nfs/dbraw/zinc/98/49/62/1072984962.db2.gz KRZUJGLYPPPTQX-YDZHTSKRSA-N -1 0 653.473 5.299 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409223712 1072987163 /nfs/dbraw/zinc/98/71/63/1072987163.db2.gz IAYACVDNZNLVCB-FYJGNVAPSA-N -1 0 598.439 5.475 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409223698 1072987219 /nfs/dbraw/zinc/98/72/19/1072987219.db2.gz HTHVLYIAYAHBTK-GIJQJNRQSA-N -1 0 562.768 5.470 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223561 1072987828 /nfs/dbraw/zinc/98/78/28/1072987828.db2.gz GXJLRPUXDUEAFP-DJKKODMXSA-N -1 0 574.804 5.339 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223123 1072989743 /nfs/dbraw/zinc/98/97/43/1072989743.db2.gz GNTVVWZSWJRPAX-VXLYETTFSA-N -1 0 619.255 5.448 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000409222858 1072990183 /nfs/dbraw/zinc/99/01/83/1072990183.db2.gz FEJREVGWVYAPKG-LFVJCYFKSA-N -1 0 578.021 5.211 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222151 1072994449 /nfs/dbraw/zinc/99/44/49/1072994449.db2.gz BTLVHRKZOFXMGP-DJKKODMXSA-N -1 0 588.831 5.648 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1 ZINC000409222111 1072996051 /nfs/dbraw/zinc/99/60/51/1072996051.db2.gz BFTCLABTFXKTLP-DJKKODMXSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409221742 1072997089 /nfs/dbraw/zinc/99/70/89/1072997089.db2.gz APLFQCXCXHQGBK-RGVLZGJSSA-N -1 0 603.256 5.748 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c1C ZINC000409220731 1073002798 /nfs/dbraw/zinc/00/27/98/1073002798.db2.gz DZXCZGKIZOQSQT-GZTJUZNOSA-N -1 0 500.407 5.241 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000409219874 1073006729 /nfs/dbraw/zinc/00/67/29/1073006729.db2.gz RDTUGTXCMIOQLT-OCKHKDLRSA-N -1 0 535.336 5.766 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409229271 1073022613 /nfs/dbraw/zinc/02/26/13/1073022613.db2.gz MKVXJERCUMQSEO-RGZVIEDOSA-N -1 0 527.362 5.477 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C1=O ZINC000409228261 1073027539 /nfs/dbraw/zinc/02/75/39/1073027539.db2.gz WMFYPTXJOUZTKX-LFVJCYFKSA-N -1 0 567.558 5.255 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227987 1073028940 /nfs/dbraw/zinc/02/89/40/1073028940.db2.gz YTKKDBREZIURJI-KEBDBYFISA-N -1 0 602.858 6.038 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409227746 1073030776 /nfs/dbraw/zinc/03/07/76/1073030776.db2.gz WDQRGAZSJPXUJN-FRKPEAEDSA-N -1 0 702.570 6.856 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409227487 1073032111 /nfs/dbraw/zinc/03/21/11/1073032111.db2.gz YYFJBVAVYOSFGD-RGVLZGJSSA-N -1 0 632.884 6.128 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409237244 1073032899 /nfs/dbraw/zinc/03/28/99/1073032899.db2.gz IWUHWQOGSJWTFQ-LPYMAVHISA-N -1 0 512.557 5.010 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409233415 1073055453 /nfs/dbraw/zinc/05/54/53/1073055453.db2.gz KIDKKIRQJWVKKE-IPPBACCNSA-N -1 0 603.710 7.412 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409232572 1073060198 /nfs/dbraw/zinc/06/01/98/1073060198.db2.gz RILGQEFIZLZYHY-ZMOGYAJESA-N -1 0 548.495 6.951 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409231879 1073063902 /nfs/dbraw/zinc/06/39/02/1073063902.db2.gz LIWZZIBUBLTQKE-GIJQJNRQSA-N -1 0 546.849 5.789 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409246184 1073078654 /nfs/dbraw/zinc/07/86/54/1073078654.db2.gz GCQBTMYWVHYBKF-NDENLUEZSA-N -1 0 508.336 5.802 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409245329 1073085431 /nfs/dbraw/zinc/08/54/31/1073085431.db2.gz QYVGEIMTEDOVRD-YBFXNURJSA-N -1 0 526.431 5.444 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC ZINC000409245045 1073086419 /nfs/dbraw/zinc/08/64/19/1073086419.db2.gz MOKZKACHPVNHBW-OVCLIPMQSA-N -1 0 543.361 5.097 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409244207 1073089374 /nfs/dbraw/zinc/08/93/74/1073089374.db2.gz ZNRWWTHKCQOUKG-RRAHZORUSA-N -1 0 574.105 7.604 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409243696 1073092236 /nfs/dbraw/zinc/09/22/36/1073092236.db2.gz ZOOCNXGFUDJCEA-SKCQWOFPSA-N -1 0 531.472 5.590 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409243333 1073092823 /nfs/dbraw/zinc/09/28/23/1073092823.db2.gz VRXJWBRXQIERTP-ZXVVBBHZSA-N -1 0 535.600 5.738 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409242724 1073095108 /nfs/dbraw/zinc/09/51/08/1073095108.db2.gz SRTUQYLJSHSKAK-XHPQRKPJSA-N -1 0 605.075 7.204 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409241839 1073098977 /nfs/dbraw/zinc/09/89/77/1073098977.db2.gz SHRHDOKSZMDCCZ-GDNBJRDFSA-N -1 0 511.308 6.104 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 ZINC000409240625 1073107280 /nfs/dbraw/zinc/10/72/80/1073107280.db2.gz QTGWQGBEWVOOMZ-KOEQRZSOSA-N -1 0 500.668 5.388 40 10 KKCBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409240318 1073109468 /nfs/dbraw/zinc/10/94/68/1073109468.db2.gz GMTFMYWITQOUIJ-OVCLIPMQSA-N -1 0 543.361 5.097 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409238616 1073119807 /nfs/dbraw/zinc/11/98/07/1073119807.db2.gz LHSPKUJTPPONCN-PCLIKHOPSA-N -1 0 558.009 6.440 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409237899 1073123005 /nfs/dbraw/zinc/12/30/05/1073123005.db2.gz JJKBVFDDGXUGKM-RDRPBHBLSA-N -1 0 584.141 7.281 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251317 1073129939 /nfs/dbraw/zinc/12/99/39/1073129939.db2.gz PKPOOMGHHNDAIV-NHDPSOOVSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409251104 1073130540 /nfs/dbraw/zinc/13/05/40/1073130540.db2.gz OJVQTUPZANERAJ-ODLFYWEKSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409250294 1073137041 /nfs/dbraw/zinc/13/70/41/1073137041.db2.gz QKISAEMOZPPXBG-FYJGNVAPSA-N -1 0 514.925 5.226 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409249846 1073140212 /nfs/dbraw/zinc/14/02/12/1073140212.db2.gz PGAFHUMOSTYZSS-LFIBNONCSA-N -1 0 502.785 6.029 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c1 ZINC000409249487 1073141298 /nfs/dbraw/zinc/14/12/98/1073141298.db2.gz JJMXUWBZEARRFQ-GRSHGNNSSA-N -1 0 583.384 5.202 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409249327 1073142305 /nfs/dbraw/zinc/14/23/05/1073142305.db2.gz TVSJKORDZHIJRJ-OEAKJJBVSA-N -1 0 506.071 6.185 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000409248739 1073146160 /nfs/dbraw/zinc/14/61/60/1073146160.db2.gz FSFPWZRONDKRGV-XKZIYDEJSA-N -1 0 701.368 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409248449 1073147896 /nfs/dbraw/zinc/14/78/96/1073147896.db2.gz GQFIKQCZMRBYGI-RQZCQDPDSA-N -1 0 680.282 5.599 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1C ZINC000409248378 1073149271 /nfs/dbraw/zinc/14/92/71/1073149271.db2.gz FXBOYPYVYKECGF-SRZZPIQSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409248166 1073150159 /nfs/dbraw/zinc/15/01/59/1073150159.db2.gz CHUMQLTUUFQCHS-MTJSOVHGSA-N -1 0 673.891 5.644 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409247567 1073153375 /nfs/dbraw/zinc/15/33/75/1073153375.db2.gz DJFOLJBMQWHHLY-RDRPBHBLSA-N -1 0 529.665 6.798 40 10 KKCBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409247319 1073154862 /nfs/dbraw/zinc/15/48/62/1073154862.db2.gz MPEOBJLIMHSFME-WOJGMQOQSA-N -1 0 501.442 5.013 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409256830 1073160176 /nfs/dbraw/zinc/16/01/76/1073160176.db2.gz QEZWKMQMDVWKBO-JLPGSUDCSA-N -1 0 616.457 6.256 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409256151 1073161799 /nfs/dbraw/zinc/16/17/99/1073161799.db2.gz KEDPBZDVACKVNZ-KGENOOAVSA-N -1 0 747.970 6.215 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409256044 1073163297 /nfs/dbraw/zinc/16/32/97/1073163297.db2.gz NPADKSXHCDNFHB-ZHZULCJRSA-N -1 0 598.439 5.475 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c(C)c1 ZINC000409255896 1073164328 /nfs/dbraw/zinc/16/43/28/1073164328.db2.gz JHVMLLDECWCQIX-RGVLZGJSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409255692 1073166697 /nfs/dbraw/zinc/16/66/97/1073166697.db2.gz MSZHUMRRJXQDQJ-XKZIYDEJSA-N -1 0 606.473 5.457 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409255652 1073166754 /nfs/dbraw/zinc/16/67/54/1073166754.db2.gz IGXCDCPJOGPELS-CIAFOILYSA-N -1 0 657.436 5.130 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409255140 1073168247 /nfs/dbraw/zinc/16/82/47/1073168247.db2.gz GIZWZYDHGQILAM-BOPFTXTBSA-N -1 0 588.831 5.729 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409255230 1073168601 /nfs/dbraw/zinc/16/86/01/1073168601.db2.gz LAIVSQQKRMQIQF-HMAPJEAMSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409254961 1073169970 /nfs/dbraw/zinc/16/99/70/1073169970.db2.gz XFYCLKAIUONGSM-CIAFOILYSA-N -1 0 555.441 5.147 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409254299 1073174374 /nfs/dbraw/zinc/17/43/74/1073174374.db2.gz WQUUZYHOOMWBIX-JAIQZWGSSA-N -1 0 548.384 5.707 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409253912 1073178128 /nfs/dbraw/zinc/17/81/28/1073178128.db2.gz HBTVWBIJVLERJW-CFRMEGHHSA-N -1 0 576.049 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409253276 1073181616 /nfs/dbraw/zinc/18/16/16/1073181616.db2.gz WQEXNPODCKOLKA-AWQFTUOYSA-N -1 0 616.885 6.346 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409253105 1073182591 /nfs/dbraw/zinc/18/25/91/1073182591.db2.gz GCMMAOHCMXRGMJ-LICLKQGHSA-N -1 0 619.255 5.448 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409252886 1073184706 /nfs/dbraw/zinc/18/47/06/1073184706.db2.gz UJTMHRACQCMWBV-WSDLNYQXSA-N -1 0 657.436 5.130 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000409252578 1073186723 /nfs/dbraw/zinc/18/67/23/1073186723.db2.gz CKVPKOPPCTYTKF-IUXPMGMMSA-N -1 0 593.250 6.293 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1OCC ZINC000409251838 1073191003 /nfs/dbraw/zinc/19/10/03/1073191003.db2.gz WOPMDKXZFIIRGN-WOJGMQOQSA-N -1 0 564.445 5.043 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000409251669 1073191833 /nfs/dbraw/zinc/19/18/33/1073191833.db2.gz VNEBLBCVHAYUSN-BRPDVVIDSA-N -1 0 588.132 7.913 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000409251662 1073191896 /nfs/dbraw/zinc/19/18/96/1073191896.db2.gz AWZFECCZUCWJRH-RGVLZGJSSA-N -1 0 631.252 5.343 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1OC ZINC000409262512 1073193414 /nfs/dbraw/zinc/19/34/14/1073193414.db2.gz FPBVBFURDBWJEB-HMAPJEAMSA-N -1 0 592.048 5.438 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OCC ZINC000409267068 1073198061 /nfs/dbraw/zinc/19/80/61/1073198061.db2.gz SCDLVIRIFIXVCZ-LFVJCYFKSA-N -1 0 650.526 5.937 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1Cl ZINC000409267083 1073198483 /nfs/dbraw/zinc/19/84/83/1073198483.db2.gz SGDPQURXGCXFDZ-YSMPRRRNSA-N -1 0 674.935 6.674 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409266237 1073202320 /nfs/dbraw/zinc/20/23/20/1073202320.db2.gz PJYQMOUCUVKTHT-VEILYXNESA-N -1 0 610.066 6.220 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266257 1073202779 /nfs/dbraw/zinc/20/27/79/1073202779.db2.gz PNWWMGUKGXMXFR-JAIQZWGSSA-N -1 0 628.932 5.658 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1 ZINC000409266215 1073204041 /nfs/dbraw/zinc/20/40/41/1073204041.db2.gz PGEAADQYYCAOBF-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OCC ZINC000409265973 1073204455 /nfs/dbraw/zinc/20/44/55/1073204455.db2.gz VMZRBGSIPIGVOJ-PCLIKHOPSA-N -1 0 601.656 5.183 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409265637 1073205607 /nfs/dbraw/zinc/20/56/07/1073205607.db2.gz UJUYJYIQBUGTGP-YVLHZVERSA-N -1 0 666.255 5.291 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)c(C)c1 ZINC000409265759 1073206005 /nfs/dbraw/zinc/20/60/05/1073206005.db2.gz OQUCBAJHZRZOFV-VXLYETTFSA-N -1 0 645.279 5.651 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409265745 1073206146 /nfs/dbraw/zinc/20/61/46/1073206146.db2.gz OLBSNXXQKLJRQM-XDHOZWIPSA-N -1 0 613.262 5.204 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2=O)cc1OCC ZINC000409264887 1073210493 /nfs/dbraw/zinc/21/04/93/1073210493.db2.gz GWHPLQKGFWGTGY-KOEQRZSOSA-N -1 0 571.630 5.175 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000409264035 1073214016 /nfs/dbraw/zinc/21/40/16/1073214016.db2.gz KGDALTUWCUBHOS-LPYMAVHISA-N -1 0 670.944 6.282 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409263904 1073214720 /nfs/dbraw/zinc/21/47/20/1073214720.db2.gz CULQXBFZVNBOMJ-LPYMAVHISA-N -1 0 562.022 5.348 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1OCC ZINC000409263979 1073215128 /nfs/dbraw/zinc/21/51/28/1073215128.db2.gz DGCGKLIRIUZSJY-HYARGMPZSA-N -1 0 622.074 5.528 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409264020 1073215562 /nfs/dbraw/zinc/21/55/62/1073215562.db2.gz KDJPYMQRTRJJFJ-NVMNQCDNSA-N -1 0 696.179 6.819 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000409263650 1073216594 /nfs/dbraw/zinc/21/65/94/1073216594.db2.gz LWMASTBASTUKCO-YBFXNURJSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263480 1073217352 /nfs/dbraw/zinc/21/73/52/1073217352.db2.gz LGQXTRKSHHUCFC-JAIQZWGSSA-N -1 0 626.891 5.720 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1 ZINC000409263448 1073217405 /nfs/dbraw/zinc/21/74/05/1073217405.db2.gz KWYYQEPRHVGTJA-RGVLZGJSSA-N -1 0 657.315 5.521 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409262408 1073222633 /nfs/dbraw/zinc/22/26/33/1073222633.db2.gz INOPQSIBRDXNIW-BUVRLJJBSA-N -1 0 636.101 5.919 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409261748 1073225297 /nfs/dbraw/zinc/22/52/97/1073225297.db2.gz AVWOBBBSLNJFFN-QRVIBDJDSA-N -1 0 667.500 5.607 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409261794 1073225775 /nfs/dbraw/zinc/22/57/75/1073225775.db2.gz BJJCOQXFZVPRPU-NDENLUEZSA-N -1 0 687.918 5.952 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409261668 1073226532 /nfs/dbraw/zinc/22/65/32/1073226532.db2.gz CPCVWAFAYOACNR-GRSHGNNSSA-N -1 0 708.336 6.297 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1Cl ZINC000409261289 1073227656 /nfs/dbraw/zinc/22/76/56/1073227656.db2.gz CIHGOUIXEIGKOY-KEBDBYFISA-N -1 0 675.761 6.474 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261171 1073228759 /nfs/dbraw/zinc/22/87/59/1073228759.db2.gz BNDWZEDIIKBNAK-UUYOSTAYSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1Cl ZINC000409260951 1073231042 /nfs/dbraw/zinc/23/10/42/1073231042.db2.gz YZBAXNZWBDOKDK-SRZZPIQSSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409260685 1073231443 /nfs/dbraw/zinc/23/14/43/1073231443.db2.gz UPWZYNJGZHVKOV-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409260392 1073233375 /nfs/dbraw/zinc/23/33/75/1073233375.db2.gz PSYYPPYTSKRPOJ-MTJSOVHGSA-N -1 0 687.918 5.952 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409260324 1073234668 /nfs/dbraw/zinc/23/46/68/1073234668.db2.gz OQBNVOSZXPVESX-VCHYOVAHSA-N -1 0 589.229 5.440 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409259893 1073237451 /nfs/dbraw/zinc/23/74/51/1073237451.db2.gz HFMJSIDWLXZLHD-HZHRSRAPSA-N -1 0 592.048 5.520 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409259612 1073239081 /nfs/dbraw/zinc/23/90/81/1073239081.db2.gz BITWJRDGGYDPEE-DEDYPNTBSA-N -1 0 642.492 5.873 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1C ZINC000409259383 1073239273 /nfs/dbraw/zinc/23/92/73/1073239273.db2.gz ZDRQVZJBLXFBLA-MTJSOVHGSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409259155 1073241713 /nfs/dbraw/zinc/24/17/13/1073241713.db2.gz ZWCVPOVWXNXEEK-KEBDBYFISA-N -1 0 673.891 5.562 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409259065 1073242759 /nfs/dbraw/zinc/24/27/59/1073242759.db2.gz ZJDBUMSDCLZSTR-FBHDLOMBSA-N -1 0 582.440 5.611 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1 ZINC000409259011 1073242827 /nfs/dbraw/zinc/24/28/27/1073242827.db2.gz WMYNVMBYYHFSAQ-PKAZHMFMSA-N -1 0 654.517 6.329 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000409258379 1073245937 /nfs/dbraw/zinc/24/59/37/1073245937.db2.gz XIGZLDMZQOQCGP-FYJGNVAPSA-N -1 0 627.289 5.512 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409258052 1073247554 /nfs/dbraw/zinc/24/75/54/1073247554.db2.gz SXAFCINBAUREKQ-UQQQWYQISA-N -1 0 612.038 5.612 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409258180 1073247955 /nfs/dbraw/zinc/24/79/55/1073247955.db2.gz RVAPRLQWXAFMDW-UFFVCSGVSA-N -1 0 626.891 5.720 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409257463 1073250888 /nfs/dbraw/zinc/25/08/88/1073250888.db2.gz PCXAKDBVIZHFGP-USHMODERSA-N -1 0 575.621 5.566 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OCC ZINC000409257405 1073252067 /nfs/dbraw/zinc/25/20/67/1073252067.db2.gz SLVNWUGULMHXFD-OEAKJJBVSA-N -1 0 680.552 5.946 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409257435 1073252565 /nfs/dbraw/zinc/25/25/65/1073252565.db2.gz SQWQEZYHUOEFAZ-DJKKODMXSA-N -1 0 616.827 5.243 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409271737 1073261934 /nfs/dbraw/zinc/26/19/34/1073261934.db2.gz WLAVECFLVWVCNR-FMCGGJTJSA-N -1 0 606.473 5.375 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409270257 1073272147 /nfs/dbraw/zinc/27/21/47/1073272147.db2.gz OGPZHSLCGGFALV-RGVLZGJSSA-N -1 0 657.315 5.521 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c(C)c1 ZINC000409269953 1073273823 /nfs/dbraw/zinc/27/38/23/1073273823.db2.gz MNWNWJGNDLVBNZ-CIAFOILYSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000409269856 1073274882 /nfs/dbraw/zinc/27/48/82/1073274882.db2.gz AFFSBVOBSKPPPY-RGVLZGJSSA-N -1 0 706.185 6.275 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1Cl ZINC000409269727 1073274904 /nfs/dbraw/zinc/27/49/04/1073274904.db2.gz MDOOGZZAPWABIQ-GIJQJNRQSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409269657 1073276075 /nfs/dbraw/zinc/27/60/75/1073276075.db2.gz LGKFSTHJHZXNET-PDGQHHTCSA-N -1 0 570.454 5.241 40 10 KKCBRM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)ccc1Cl ZINC000409269686 1073276097 /nfs/dbraw/zinc/27/60/97/1073276097.db2.gz LQGQFHBSWBGUPL-FSJBWODESA-N -1 0 582.034 5.297 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409269401 1073277503 /nfs/dbraw/zinc/27/75/03/1073277503.db2.gz ITUKJUOUYBYWKD-RGVLZGJSSA-N -1 0 692.158 5.966 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000409269004 1073280078 /nfs/dbraw/zinc/28/00/78/1073280078.db2.gz CSJMKHDRULGUPI-CIAFOILYSA-N -1 0 657.315 5.521 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409268873 1073280913 /nfs/dbraw/zinc/28/09/13/1073280913.db2.gz YXBXBKSPEDOKNK-YVLHZVERSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409268948 1073281284 /nfs/dbraw/zinc/28/12/84/1073281284.db2.gz BSQUVOLYBMDYBT-RGVLZGJSSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409268476 1073284059 /nfs/dbraw/zinc/28/40/59/1073284059.db2.gz UGPRPEAPQCXABC-SRZZPIQSSA-N -1 0 687.918 5.952 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409268281 1073284326 /nfs/dbraw/zinc/28/43/26/1073284326.db2.gz RWVUHJVDFOKTID-NDENLUEZSA-N -1 0 549.070 5.049 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1 ZINC000409268532 1073284340 /nfs/dbraw/zinc/28/43/40/1073284340.db2.gz VEYRIKFNRHPMQA-UDWIEESQSA-N -1 0 657.315 5.603 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1Cl ZINC000409268185 1073285513 /nfs/dbraw/zinc/28/55/13/1073285513.db2.gz RGACWWOWBUJIES-DJKKODMXSA-N -1 0 586.859 6.256 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409267950 1073287493 /nfs/dbraw/zinc/28/74/93/1073287493.db2.gz XDUOHQXNGJWESM-PDGQHHTCSA-N -1 0 661.905 5.192 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1 ZINC000409267971 1073287505 /nfs/dbraw/zinc/28/75/05/1073287505.db2.gz XJDCCMMDJCAQLV-ZDLGFXPLSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1C ZINC000409267757 1073288197 /nfs/dbraw/zinc/28/81/97/1073288197.db2.gz XMJAJRRHHIDHCZ-UCQKPKSFSA-N -1 0 576.447 5.367 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409267428 1073289443 /nfs/dbraw/zinc/28/94/43/1073289443.db2.gz VOERWFNEWNYJIS-ODLFYWEKSA-N -1 0 582.440 5.611 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1OC ZINC000409267489 1073289894 /nfs/dbraw/zinc/28/98/94/1073289894.db2.gz VZLYUMNBOXRXNE-XKZIYDEJSA-N -1 0 622.074 5.447 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409267362 1073290694 /nfs/dbraw/zinc/29/06/94/1073290694.db2.gz UCXFONZUNLKVSE-UCQKPKSFSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409275556 1073298352 /nfs/dbraw/zinc/29/83/52/1073298352.db2.gz VULGZZMZJRRRCG-SRZZPIQSSA-N -1 0 509.971 5.121 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409273559 1073318909 /nfs/dbraw/zinc/31/89/09/1073318909.db2.gz ZBXYTPCGGVLJDQ-VCHYOVAHSA-N -1 0 588.831 5.729 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000409273000 1073321105 /nfs/dbraw/zinc/32/11/05/1073321105.db2.gz URZIRBVFROXAJI-BKUYFWCQSA-N -1 0 552.414 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409273113 1073335242 /nfs/dbraw/zinc/33/52/42/1073335242.db2.gz VMFDBARCCKYFJQ-XKZIYDEJSA-N -1 0 656.917 5.892 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c(C)c1 ZINC000409272803 1073335629 /nfs/dbraw/zinc/33/56/29/1073335629.db2.gz SLEDWHOFZFZLPO-ZDLGFXPLSA-N -1 0 617.283 6.057 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409272892 1073336619 /nfs/dbraw/zinc/33/66/19/1073336619.db2.gz UCHWJUYTAQAUTC-IWIPYMOSSA-N -1 0 690.934 6.374 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(-c4cc(OC)cc(OC)c4)n3CC)C(=O)[O-])c2C)cc1 ZINC000408634477 195480680 /nfs/dbraw/zinc/48/06/80/195480680.db2.gz VCAFTLHAVUYUIH-QQXSKIMKSA-N -1 0 576.675 5.784 40 10 KKCBRM CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409049771 195497358 /nfs/dbraw/zinc/49/73/58/195497358.db2.gz YMRHOOQDGVKYRW-GIDUJCDVSA-N -1 0 556.638 5.566 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409383306 195517866 /nfs/dbraw/zinc/51/78/66/195517866.db2.gz VXNFCGYRMHDTEL-LPYMAVHISA-N -1 0 539.028 5.851 40 10 KKCBRM [O-]c1c(Br)cc(Br)cc1C[NH+](Cc1cc(Br)cc(Br)c1[O-])C1CCCCC1 ZINC000003954036 552423536 /nfs/dbraw/zinc/42/35/36/552423536.db2.gz CHKKLLVNGFVSBH-UHFFFAOYSA-N -1 0 627.009 7.483 40 10 in-vitro KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2Br)cc1 ZINC000014132811 553501576 /nfs/dbraw/zinc/50/15/76/553501576.db2.gz FYEJKANHKYSJJQ-DEDYPNTBSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C1=O ZINC000014133111 553501594 /nfs/dbraw/zinc/50/15/94/553501594.db2.gz UWWATDHIXBJOQT-DEDYPNTBSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C1=O ZINC000014132807 553501672 /nfs/dbraw/zinc/50/16/72/553501672.db2.gz RNAFIZBRAQXXEF-LDADJPATSA-N -1 0 509.331 5.142 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1 ZINC000016689192 553573451 /nfs/dbraw/zinc/57/34/51/553573451.db2.gz 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GLLDQGZRBXZVIB-KGENOOAVSA-N -1 0 537.435 5.258 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100230099 554255843 /nfs/dbraw/zinc/25/58/43/554255843.db2.gz VKQAILYNOKCJJA-MFKUBSTISA-N -1 0 585.454 6.555 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000100241255 554260252 /nfs/dbraw/zinc/26/02/52/554260252.db2.gz AQSLBEYYNPVMBF-XKZIYDEJSA-N -1 0 599.865 6.145 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Cc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c1C ZINC000100275249 554271593 /nfs/dbraw/zinc/27/15/93/554271593.db2.gz IQKFWZGCHKBWBK-WOJGMQOQSA-N -1 0 529.843 5.734 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000041108825 554295479 /nfs/dbraw/zinc/29/54/79/554295479.db2.gz HWTVKVGTJSNBQB-HLILLCKBSA-N -1 0 500.551 5.525 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000100320412 554304788 /nfs/dbraw/zinc/30/47/88/554304788.db2.gz 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508.441 6.091 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000059248407 554386870 /nfs/dbraw/zinc/38/68/70/554386870.db2.gz VSEHSSYEJQHMJR-JFLMPSFJSA-N -1 0 526.036 6.265 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000059594360 554408010 /nfs/dbraw/zinc/40/80/10/554408010.db2.gz UHNWJQHMWBXYAS-HZHRSRAPSA-N -1 0 511.603 5.096 40 10 KKCBRM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000100525013 554409864 /nfs/dbraw/zinc/40/98/64/554409864.db2.gz RFQVJOJWZRZSMN-ARVYSTCASA-N -1 0 530.009 6.578 40 10 KKCBRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000100932795 554527870 /nfs/dbraw/zinc/52/78/70/554527870.db2.gz KDGBDXNHYHUPFK-UHFFFAOYSA-N -1 0 563.664 6.473 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000100955781 554539143 /nfs/dbraw/zinc/53/91/43/554539143.db2.gz 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/nfs/dbraw/zinc/36/40/63/571364063.db2.gz KSIMSTWBCPWIKH-GRSHGNNSSA-N -1 0 606.775 5.338 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000103849521 571364096 /nfs/dbraw/zinc/36/40/96/571364096.db2.gz GLECGBXLLFJKMB-GIJQJNRQSA-N -1 0 574.746 5.395 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000103849822 571364259 /nfs/dbraw/zinc/36/42/59/571364259.db2.gz WPNAOVWZHAOTTK-YDZHTSKRSA-N -1 0 530.939 5.886 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000103851152 571364770 /nfs/dbraw/zinc/36/47/70/571364770.db2.gz HEIDPTOHYHEYHB-BKUYFWCQSA-N -1 0 591.458 6.160 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000103851665 571364944 /nfs/dbraw/zinc/36/49/44/571364944.db2.gz SYFGYIRWHFKCRO-CXUHLZMHSA-N -1 0 563.807 5.791 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000103851589 571364947 /nfs/dbraw/zinc/36/49/47/571364947.db2.gz YSUXKMLJCUEUGM-CXUHLZMHSA-N -1 0 608.258 5.900 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000103851829 571365108 /nfs/dbraw/zinc/36/51/08/571365108.db2.gz LJMFGKCKUQYVQN-CXUHLZMHSA-N -1 0 546.363 5.451 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000103851879 571365112 /nfs/dbraw/zinc/36/51/12/571365112.db2.gz ZCJFPZUGBBBGME-GZTJUZNOSA-N -1 0 592.817 5.494 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000103851700 571365140 /nfs/dbraw/zinc/36/51/40/571365140.db2.gz VOVRBDFOQXKRQI-VIZOYTHASA-N -1 0 589.826 5.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103852557 571365416 /nfs/dbraw/zinc/36/54/16/571365416.db2.gz CDDHSWSWLMQPDY-WOJGMQOQSA-N -1 0 555.971 5.196 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 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571366741 /nfs/dbraw/zinc/36/67/41/571366741.db2.gz CDQOYUZSCMIGCE-WSDLNYQXSA-N -1 0 596.264 7.155 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000103859053 571366924 /nfs/dbraw/zinc/36/69/24/571366924.db2.gz XKXVGMBDKOMNII-VCHYOVAHSA-N -1 0 533.209 5.830 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000103858997 571366934 /nfs/dbraw/zinc/36/69/34/571366934.db2.gz NZIZHGRFFOGUEV-JVWAILMASA-N -1 0 604.888 6.755 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000103859805 571367253 /nfs/dbraw/zinc/36/72/53/571367253.db2.gz WOYWPUMJJIXZPE-BOPFTXTBSA-N -1 0 516.145 5.138 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)c(Br)c1 ZINC000103859826 571367267 /nfs/dbraw/zinc/36/72/67/571367267.db2.gz LZJQMYQGJIKQHC-BOPFTXTBSA-N -1 0 530.172 5.446 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C2=O)c1 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510.421 6.043 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104882122 571387189 /nfs/dbraw/zinc/38/71/89/571387189.db2.gz PHFSHKPMACRSDD-PXLXIMEGSA-N -1 0 584.898 6.321 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000105498519 571405913 /nfs/dbraw/zinc/40/59/13/571405913.db2.gz NKVNRKLHYGXERW-JYZYSUPLSA-N -1 0 559.047 5.573 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499440 571406184 /nfs/dbraw/zinc/40/61/84/571406184.db2.gz JHJSFEFMWQCHPJ-SDCACLTKSA-N -1 0 570.696 5.641 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br ZINC000105571392 571407724 /nfs/dbraw/zinc/40/77/24/571407724.db2.gz IQRBEIZOTQUJHM-AWZKZOKMSA-N -1 0 530.320 5.264 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c1 ZINC000106724922 571416255 /nfs/dbraw/zinc/41/62/55/571416255.db2.gz 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0 514.422 5.467 40 10 KKCBRM CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)cc1 ZINC000150339353 571457374 /nfs/dbraw/zinc/45/73/74/571457374.db2.gz QAOXHLQIVBKYKV-KUHDCKTMSA-N -1 0 655.777 6.609 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223423392 571474343 /nfs/dbraw/zinc/47/43/43/571474343.db2.gz RJKNMVCTBYJSCH-KAYWLYCHSA-N -1 0 512.635 5.369 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223423330 571474428 /nfs/dbraw/zinc/47/44/28/571474428.db2.gz RJKNMVCTBYJSCH-RRPNLBNLSA-N -1 0 512.635 5.369 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150404271 571479026 /nfs/dbraw/zinc/47/90/26/571479026.db2.gz SYJFXAJNVOIXID-GIJQJNRQSA-N -1 0 637.257 6.160 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000150405221 571479182 /nfs/dbraw/zinc/47/91/82/571479182.db2.gz 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O=C(C=Cc1ccccc1)N(C(=O)CC(=O)n1[n-]c(-c2ccccc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1=O)c1ccc(Cl)cc1 ZINC000150444153 571499621 /nfs/dbraw/zinc/49/96/21/571499621.db2.gz IBFXPWCSHKJVQR-BUPABLGZSA-N -1 0 635.036 6.137 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223582185 571507270 /nfs/dbraw/zinc/50/72/70/571507270.db2.gz UDMTUIKFFLGVBK-RSZPVBOMSA-N -1 0 524.459 5.844 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150481432 571512647 /nfs/dbraw/zinc/51/26/47/571512647.db2.gz LEGIJBISKJLRIU-VCHYOVAHSA-N -1 0 623.230 5.852 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000150481506 571512710 /nfs/dbraw/zinc/51/27/10/571512710.db2.gz NALPJOBFHCRNTL-YBFXNURJSA-N -1 0 649.304 5.473 40 10 KKCBRM COc1cc(/N=N/c2cc(C)c(NC(=O)c3ccc(N)cc3)cc2C)c(OC)cc1/N=N/c1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000150485444 571515957 /nfs/dbraw/zinc/51/59/57/571515957.db2.gz QEZXDYQNUXXDEE-NFSGFYSESA-N 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QVEWNCAWOSFMGE-DJKKODMXSA-N -1 0 669.153 7.163 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224370091 571531788 /nfs/dbraw/zinc/53/17/88/571531788.db2.gz RUBLQXHCYMLVJT-NSOVKSMOSA-N -1 0 510.663 6.488 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000164315947 571545570 /nfs/dbraw/zinc/54/55/70/571545570.db2.gz LRZBIPSBYQOWSA-KKMKTNMSSA-N -1 0 735.429 7.833 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000164316806 571545575 /nfs/dbraw/zinc/54/55/75/571545575.db2.gz IFYBHAJDIMRBOK-CCVNUDIWSA-N -1 0 737.432 7.767 40 10 KKCBRM CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000164315131 571545628 /nfs/dbraw/zinc/54/56/28/571545628.db2.gz XAAGRQSLXXOREB-BRJLIKDPSA-N -1 0 651.554 5.924 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000164316409 571545636 /nfs/dbraw/zinc/54/56/36/571545636.db2.gz VIZWFOYBAKYEPN-IPPBACCNSA-N -1 0 702.589 7.321 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000164334576 571545783 /nfs/dbraw/zinc/54/57/83/571545783.db2.gz XCUMDBLNNLLRMO-CCVNUDIWSA-N -1 0 784.432 7.609 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c(OCc4ccc(Br)cc4)cc3Br)C2=O)c1 ZINC000164331132 571545867 /nfs/dbraw/zinc/54/58/67/571545867.db2.gz NFPVENMTRCNAAV-LPYMAVHISA-N -1 0 688.369 6.653 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000164343236 571545994 /nfs/dbraw/zinc/54/59/94/571545994.db2.gz VBCGBWDDPYRAIR-ULILXGBTSA-N -1 0 668.572 7.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000164347315 571546279 /nfs/dbraw/zinc/54/62/79/571546279.db2.gz JAOQLEBTBKENMF-UFFVCSGVSA-N -1 0 650.279 6.339 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000164382038 571546780 /nfs/dbraw/zinc/54/67/80/571546780.db2.gz PPXIGWSAGJSLOF-RGVLZGJSSA-N -1 0 620.802 5.728 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164384569 571546805 /nfs/dbraw/zinc/54/68/05/571546805.db2.gz XRVLYZOFURRCLB-RGVLZGJSSA-N -1 0 665.253 5.837 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164393664 571546978 /nfs/dbraw/zinc/54/69/78/571546978.db2.gz XKPVVNJDHZQSRM-CXUHLZMHSA-N -1 0 671.713 6.257 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000164391246 571547006 /nfs/dbraw/zinc/54/70/06/571547006.db2.gz MGIWVGMKSVRXEN-CXUHLZMHSA-N -1 0 669.164 6.524 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000164391726 571547051 /nfs/dbraw/zinc/54/70/51/571547051.db2.gz WBLVIXAQMVDRNY-CXUHLZMHSA-N -1 0 635.265 5.669 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000164399420 571547182 /nfs/dbraw/zinc/54/71/82/571547182.db2.gz SLLPGHUVNGMOHB-UDWIEESQSA-N -1 0 734.328 6.598 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164405356 571547271 /nfs/dbraw/zinc/54/72/71/571547271.db2.gz LMGOJEQIEXQUPS-WOJGMQOQSA-N -1 0 636.870 5.893 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164405222 571547279 /nfs/dbraw/zinc/54/72/79/571547279.db2.gz ACHMPKZHNMQXLD-GZTJUZNOSA-N -1 0 636.870 5.893 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2I)c1 ZINC000164398600 571547285 /nfs/dbraw/zinc/54/72/85/571547285.db2.gz WAQVWOYPKNFYCN-LICLKQGHSA-N -1 0 698.295 5.754 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000164399132 571547300 /nfs/dbraw/zinc/54/73/00/571547300.db2.gz IDMJAXOCVTURJG-VIZOYTHASA-N -1 0 728.277 5.174 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000164445306 571547620 /nfs/dbraw/zinc/54/76/20/571547620.db2.gz UVNWPTXLLZLINT-GIJQJNRQSA-N -1 0 714.002 6.982 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000164447427 571547722 /nfs/dbraw/zinc/54/77/22/571547722.db2.gz MUKMCSPZFFAVTI-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000164453660 571547876 /nfs/dbraw/zinc/54/78/76/571547876.db2.gz SRGZGXXTQPKRST-YBFXNURJSA-N -1 0 682.106 6.062 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000164449716 571547907 /nfs/dbraw/zinc/54/79/07/571547907.db2.gz JIELXJICKYGQRN-FRKPEAEDSA-N -1 0 750.996 7.368 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164451508 571547948 /nfs/dbraw/zinc/54/79/48/571547948.db2.gz QYXSRNTUOVMLEZ-WSDLNYQXSA-N -1 0 732.166 7.215 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000164449856 571547960 /nfs/dbraw/zinc/54/79/60/571547960.db2.gz XWBZHPLDOFPXLO-GIJQJNRQSA-N -1 0 761.002 6.824 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000164461813 571548094 /nfs/dbraw/zinc/54/80/94/571548094.db2.gz ZFIGJQJESSGHSZ-YDZHTSKRSA-N -1 0 683.296 6.461 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164456412 571548181 /nfs/dbraw/zinc/54/81/81/571548181.db2.gz YBRXPGXCPLWJMU-GIJQJNRQSA-N -1 0 855.002 6.508 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164461390 571548193 /nfs/dbraw/zinc/54/81/93/571548193.db2.gz HMAAHDMFSOPOOE-VXLYETTFSA-N -1 0 678.233 5.216 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000164460987 571548250 /nfs/dbraw/zinc/54/82/50/571548250.db2.gz AVIIHGBCDSELJY-RGVLZGJSSA-N -1 0 647.263 5.616 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000164471343 571548683 /nfs/dbraw/zinc/54/86/83/571548683.db2.gz WXPCKWKVBOBMFY-ZVHZXABRSA-N -1 0 650.323 7.009 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000164472678 571548699 /nfs/dbraw/zinc/54/86/99/571548699.db2.gz AXOUISDJNFYVIS-VXLYETTFSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000164468203 571548711 /nfs/dbraw/zinc/54/87/11/571548711.db2.gz OIKWWVXAQPGNIZ-RGVLZGJSSA-N -1 0 665.253 5.837 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164479745 571548882 /nfs/dbraw/zinc/54/88/82/571548882.db2.gz XMVMNOPBBBFKAS-ZDLGFXPLSA-N -1 0 636.749 6.284 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000164479113 571548900 /nfs/dbraw/zinc/54/89/00/571548900.db2.gz ILNFGCBORFNRCI-USHMODERSA-N -1 0 683.425 8.168 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164600027 571550160 /nfs/dbraw/zinc/55/01/60/571550160.db2.gz ZUHJUKKTXXPGME-BUVRLJJBSA-N -1 0 647.584 7.568 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224498091 571560674 /nfs/dbraw/zinc/56/06/74/571560674.db2.gz HJCLPFRVMUOECG-JWQCQUIFSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224501764 571561696 /nfs/dbraw/zinc/56/16/96/571561696.db2.gz WGRBRGADNREECO-IZZNHLLZSA-N -1 0 561.505 6.435 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)ccc1Cl ZINC000205774490 571570943 /nfs/dbraw/zinc/57/09/43/571570943.db2.gz RKCVGKQRQBBGOM-VXLYETTFSA-N -1 0 565.772 6.139 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223902252 571571459 /nfs/dbraw/zinc/57/14/59/571571459.db2.gz BDXKXNVPJHUXSZ-WUFINQPMSA-N -1 0 525.678 5.739 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000206827313 571572931 /nfs/dbraw/zinc/57/29/31/571572931.db2.gz MVYHLTJAYQZOHH-WOJGMQOQSA-N -1 0 556.887 5.756 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208235042 571573551 /nfs/dbraw/zinc/57/35/51/571573551.db2.gz QDBIVCCMLUTLAJ-MPMPPSQCSA-N -1 0 502.467 5.855 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208237847 571573656 /nfs/dbraw/zinc/57/36/56/571573656.db2.gz CZALZEAKQRUFSP-AGZSBTIMSA-N -1 0 532.891 5.656 40 10 KKCBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208238533 571573671 /nfs/dbraw/zinc/57/36/71/571573671.db2.gz ARJYKJNJUYKQOP-DGGAMASNSA-N -1 0 522.885 6.200 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21 ZINC000208471546 571574499 /nfs/dbraw/zinc/57/44/99/571574499.db2.gz ZQJPFAPHSNSCOV-LZYBPNLTSA-N -1 0 504.801 5.945 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208518273 571574671 /nfs/dbraw/zinc/57/46/71/571574671.db2.gz DUNZEUDEWOTPAP-CIAFOILYSA-N -1 0 524.484 5.611 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2C(C)=CC1(C)C ZINC000208520436 571574684 /nfs/dbraw/zinc/57/46/84/571574684.db2.gz HWXCSLVWPJXWSI-FYJGNVAPSA-N -1 0 522.443 5.754 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000208650463 571574817 /nfs/dbraw/zinc/57/48/17/571574817.db2.gz XULFQAOTOXJMMI-ZDLGFXPLSA-N -1 0 546.190 5.391 40 10 KKCBRM COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000224572677 571577634 /nfs/dbraw/zinc/57/76/34/571577634.db2.gz WPBZSZREMMGHFB-SVBPBHIXSA-N -1 0 512.635 5.681 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223936411 571578810 /nfs/dbraw/zinc/57/88/10/571578810.db2.gz LTSQBQGWKXYTOZ-FQLXRVMXSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224639230 571592688 /nfs/dbraw/zinc/59/26/88/571592688.db2.gz KSSPHLVVNNICQX-FIRIVFDPSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224639477 571592844 /nfs/dbraw/zinc/59/28/44/571592844.db2.gz KVHWTIKBGJJXNN-JSOSNVBQSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224016069 571595774 /nfs/dbraw/zinc/59/57/74/571595774.db2.gz VQYWXPBYHDVAFV-CLJLJLNGSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224016129 571595783 /nfs/dbraw/zinc/59/57/83/571595783.db2.gz VQYWXPBYHDVAFV-FTJBHMTQSA-N -1 0 512.591 5.093 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224059425 571604255 /nfs/dbraw/zinc/60/42/55/571604255.db2.gz DZCZPNUTRHCCFH-URLMMPGGSA-N -1 0 591.133 6.351 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224710347 571607917 /nfs/dbraw/zinc/60/79/17/571607917.db2.gz UZXBGYVBZXYFAS-JHOUSYSJSA-N -1 0 588.733 7.774 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224094467 571609172 /nfs/dbraw/zinc/60/91/72/571609172.db2.gz VQUHYIPSDBRGAP-WDYNHAJCSA-N -1 0 567.715 6.267 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224097961 571609700 /nfs/dbraw/zinc/60/97/00/571609700.db2.gz NTLODHMPJQDBOJ-IHLOFXLRSA-N -1 0 581.742 6.576 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)cc2)cc1 ZINC000224741422 571612845 /nfs/dbraw/zinc/61/28/45/571612845.db2.gz MIRJCHYZRMYNKX-ACHIHNKUSA-N -1 0 590.705 7.165 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)cc2)cc1 ZINC000224744880 571613141 /nfs/dbraw/zinc/61/31/41/571613141.db2.gz MFXPGHAXPGFVSH-LQJZCPKCSA-N -1 0 604.732 7.474 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224775434 571615937 /nfs/dbraw/zinc/61/59/37/571615937.db2.gz IHUDHYVJDSUQCH-JSOSNVBQSA-N -1 0 621.744 7.424 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224778643 571616191 /nfs/dbraw/zinc/61/61/91/571616191.db2.gz WVWOBNOZJRJOLU-ZWXJPIIXSA-N -1 0 635.771 7.732 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c1 ZINC000224841320 571622351 /nfs/dbraw/zinc/62/23/51/571622351.db2.gz CREVIEBGDKICDY-KAYWLYCHSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224871636 571625316 /nfs/dbraw/zinc/62/53/16/571625316.db2.gz TTZKHCRCPYPMBO-LOSJGSFVSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224930785 571631163 /nfs/dbraw/zinc/63/11/63/571631163.db2.gz FFNIZNSUJINACQ-IZZNHLLZSA-N -1 0 561.505 6.435 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224960428 571634040 /nfs/dbraw/zinc/63/40/40/571634040.db2.gz UHKVJBYDMQACKS-CLJLJLNGSA-N -1 0 533.053 6.026 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224991813 571637108 /nfs/dbraw/zinc/63/71/08/571637108.db2.gz UZIUALHXJQGEIM-ACHIHNKUSA-N -1 0 614.215 7.563 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224991734 571637109 /nfs/dbraw/zinc/63/71/09/571637109.db2.gz UZIUALHXJQGEIM-ZWXJPIIXSA-N -1 0 614.215 7.563 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224991695 571637131 /nfs/dbraw/zinc/63/71/31/571637131.db2.gz UZIUALHXJQGEIM-ROJLCIKYSA-N -1 0 614.215 7.563 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225045796 571641777 /nfs/dbraw/zinc/64/17/77/571641777.db2.gz OEGPNENEKZHWQP-IZLXSDGUSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225045844 571641790 /nfs/dbraw/zinc/64/17/90/571641790.db2.gz OEGPNENEKZHWQP-WUFINQPMSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225075212 571644554 /nfs/dbraw/zinc/64/45/54/571644554.db2.gz UIQZBGYCDKOLSL-JHOUSYSJSA-N -1 0 617.731 6.382 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104091 571647584 /nfs/dbraw/zinc/64/75/84/571647584.db2.gz GAZOHPXUQDAWSU-WDYNHAJCSA-N -1 0 597.741 6.358 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106745 571647920 /nfs/dbraw/zinc/64/79/20/571647920.db2.gz DKBLNCZDUAPJQP-LOYHVIPDSA-N -1 0 611.768 6.666 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225132661 571650369 /nfs/dbraw/zinc/65/03/69/571650369.db2.gz FXWWXOLYIDJELV-IZLXSDGUSA-N -1 0 588.133 6.612 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225132526 571650377 /nfs/dbraw/zinc/65/03/77/571650377.db2.gz BLJMPEJRAXPVDN-WUFINQPMSA-N -1 0 588.133 6.612 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225135083 571650602 /nfs/dbraw/zinc/65/06/02/571650602.db2.gz JLGZHYCYZNPKJA-WDYNHAJCSA-N -1 0 602.160 6.921 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225160344 571653277 /nfs/dbraw/zinc/65/32/77/571653277.db2.gz ZGPIMPPHELDHSR-VMPREFPWSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1OC ZINC000225188316 571656025 /nfs/dbraw/zinc/65/60/25/571656025.db2.gz XFMWHQCZNMFBFD-FQLXRVMXSA-N -1 0 569.687 5.722 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1OC ZINC000225188451 571656073 /nfs/dbraw/zinc/65/60/73/571656073.db2.gz TYBXLXVFRPWTCQ-URLMMPGGSA-N -1 0 569.687 5.722 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000225244523 571661937 /nfs/dbraw/zinc/66/19/37/571661937.db2.gz DIYGZSWHWUWRMS-NSOVKSMOSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000225247108 571662224 /nfs/dbraw/zinc/66/22/24/571662224.db2.gz AVTWRNIFIFKSHH-WDYNHAJCSA-N -1 0 604.132 5.911 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225273431 571665280 /nfs/dbraw/zinc/66/52/80/571665280.db2.gz IGOKZHAFVVDPBX-LOYHVIPDSA-N -1 0 583.714 5.566 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1NC(C)=O ZINC000225320444 571675270 /nfs/dbraw/zinc/67/52/70/571675270.db2.gz WFJWOCUCJMSILM-NSOVKSMOSA-N -1 0 555.660 5.331 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NC(C)=O ZINC000225322861 571678568 /nfs/dbraw/zinc/67/85/68/571678568.db2.gz WMRQGJYBAPORHN-VMPREFPWSA-N -1 0 569.687 5.640 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225371593 571736594 /nfs/dbraw/zinc/73/65/94/571736594.db2.gz AMCRSLUQZVKZFU-XZWHSSHBSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225371710 571736824 /nfs/dbraw/zinc/73/68/24/571736824.db2.gz VYCOLKYFXYAKKM-IHLOFXLRSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225400031 571770025 /nfs/dbraw/zinc/77/00/25/571770025.db2.gz ZFQCWMMLUGSSBG-SVBPBHIXSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225508857 571880093 /nfs/dbraw/zinc/88/00/93/571880093.db2.gz ZKEXGIWCIMZPAO-NSOVKSMOSA-N -1 0 539.661 5.107 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225572065 571933129 /nfs/dbraw/zinc/93/31/29/571933129.db2.gz SXCCKQDVMKMEKQ-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225592747 571948588 /nfs/dbraw/zinc/94/85/88/571948588.db2.gz BSUKIICAOPLKIW-VSGBNLITSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225592884 571948926 /nfs/dbraw/zinc/94/89/26/571948926.db2.gz NUAOOEKOQMRPOP-VSGBNLITSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225612980 571964620 /nfs/dbraw/zinc/96/46/20/571964620.db2.gz MVMGXHIGUQRMNL-WUFINQPMSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225613009 571964662 /nfs/dbraw/zinc/96/46/62/571964662.db2.gz MVMGXHIGUQRMNL-NSOVKSMOSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225630947 571983323 /nfs/dbraw/zinc/98/33/23/571983323.db2.gz SUISYVZSWVDJJJ-KYJUHHDHSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225650461 571998870 /nfs/dbraw/zinc/99/88/70/571998870.db2.gz COKPDCJCBZJLNU-XZWHSSHBSA-N -1 0 567.715 5.805 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225668163 572010359 /nfs/dbraw/zinc/01/03/59/572010359.db2.gz AUSPSXIZTYKFLJ-URLMMPGGSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225687174 572023576 /nfs/dbraw/zinc/02/35/76/572023576.db2.gz UWQKCYJXYVWBSD-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1nnc(-c2ccccc2)s1 ZINC000408526240 572157140 /nfs/dbraw/zinc/15/71/40/572157140.db2.gz ALVVBFOCOLWWSP-RCCKNPSSSA-N -1 0 604.530 6.014 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408527899 572162207 /nfs/dbraw/zinc/16/22/07/572162207.db2.gz AHDQZNVQKFQAAR-YBFXNURJSA-N -1 0 559.789 5.931 40 10 KKCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Br)cc1 ZINC000408528429 572164565 /nfs/dbraw/zinc/16/45/65/572164565.db2.gz BFEHYQMMUDCWJW-UNOMPAQXSA-N -1 0 559.294 5.354 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408528424 572164674 /nfs/dbraw/zinc/16/46/74/572164674.db2.gz BEKWJUFJBWJBJE-QYXBQQPHSA-N -1 0 671.254 5.414 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408528553 572165083 /nfs/dbraw/zinc/16/50/83/572165083.db2.gz BMWMHOSUZCDQND-FFKFWDHTSA-N -1 0 709.572 6.913 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408530396 572171765 /nfs/dbraw/zinc/17/17/65/572171765.db2.gz FGKNFTVQKYMCFD-XBXPHJQFSA-N -1 0 628.806 5.238 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000408531345 572175601 /nfs/dbraw/zinc/17/56/01/572175601.db2.gz GSVXCDJSKCYYCN-HGKZOJRLSA-N -1 0 610.258 5.805 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC ZINC000408531846 572177558 /nfs/dbraw/zinc/17/75/58/572177558.db2.gz HHRYMNYGUPKIPM-NVMNQCDNSA-N -1 0 739.167 5.886 40 10 KKCBRM CC(C)OC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1Cl ZINC000408532455 572179707 /nfs/dbraw/zinc/17/97/07/572179707.db2.gz MUFGEHKSWBVRHQ-PCLIKHOPSA-N -1 0 562.066 5.952 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)ccc1Br ZINC000408532723 572180528 /nfs/dbraw/zinc/18/05/28/572180528.db2.gz QWCFFVWWCXQGNX-YVJRBXHKSA-N -1 0 504.344 5.752 40 10 KKCBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c([N+](=O)[O-])c1 ZINC000408533907 572184976 /nfs/dbraw/zinc/18/49/76/572184976.db2.gz PMNXHBRBTBWIDV-XSFVSMFZSA-N -1 0 579.451 5.712 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408534041 572185318 /nfs/dbraw/zinc/18/53/18/572185318.db2.gz KWXUEZPCTSBFAH-PHDJUTGNSA-N -1 0 659.218 5.544 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408534655 572186583 /nfs/dbraw/zinc/18/65/83/572186583.db2.gz MMKYOEQZGAHFJO-NDENLUEZSA-N -1 0 614.246 5.414 40 10 KKCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1Cl ZINC000408534941 572187681 /nfs/dbraw/zinc/18/76/81/572187681.db2.gz MZKAWDWHYSVNSB-ZDLGFXPLSA-N -1 0 549.288 5.898 40 10 KKCBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408535374 572188198 /nfs/dbraw/zinc/18/81/98/572188198.db2.gz SMERIIZFDGYPCA-LFVJCYFKSA-N -1 0 548.481 6.058 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408535725 572189263 /nfs/dbraw/zinc/18/92/63/572189263.db2.gz OPAIUCWKMLKCII-GZAHHAHMSA-N -1 0 581.806 5.396 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000408536133 572190091 /nfs/dbraw/zinc/19/00/91/572190091.db2.gz PVJZGNDDWNWENC-MFOYZWKCSA-N -1 0 628.229 5.134 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408536003 572190181 /nfs/dbraw/zinc/19/01/81/572190181.db2.gz PMPMNFPNSMWPCJ-JAIQZWGSSA-N -1 0 630.245 5.114 40 10 KKCBRM Cc1c(Br)ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C ZINC000408536040 572190252 /nfs/dbraw/zinc/19/02/52/572190252.db2.gz VJAJQTLDKQBKAY-HZHRSRAPSA-N -1 0 591.506 5.822 40 10 KKCBRM CCn1c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)cc2n(CC)c1=O ZINC000408536031 572190276 /nfs/dbraw/zinc/19/02/76/572190276.db2.gz VIDOMLUIGXRGCQ-HAVVHWLPSA-N -1 0 632.559 5.652 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000408537135 572193326 /nfs/dbraw/zinc/19/33/26/572193326.db2.gz UQGCPYGEBPUIAM-GRSHGNNSSA-N -1 0 674.298 5.431 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537136 572193417 /nfs/dbraw/zinc/19/34/17/572193417.db2.gz CFSJLFOQUGECQG-QFEZKATASA-N -1 0 751.384 7.343 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537133 572193448 /nfs/dbraw/zinc/19/34/48/572193448.db2.gz CFFRURMSDUNSGZ-IMRQLAEWSA-N -1 0 617.485 7.217 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)C2=O)cc1 ZINC000408537273 572193660 /nfs/dbraw/zinc/19/36/60/572193660.db2.gz UWLQQNXOCXYZSE-NDENLUEZSA-N -1 0 614.246 5.414 40 10 KKCBRM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(NC=C3C(=O)[N-]C(=O)N(c4c(C)cc(C)cc4C)C3=O)cc1)CCCC2 ZINC000408537176 572193791 /nfs/dbraw/zinc/19/37/91/572193791.db2.gz ZJLVWICAJXQVOS-XQNSMLJCSA-N -1 0 600.697 5.560 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000408537365 572194433 /nfs/dbraw/zinc/19/44/33/572194433.db2.gz VNGOGJTTZORZOG-WQRHYEAKSA-N -1 0 604.638 5.751 40 10 KKCBRM COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000408537537 572194848 /nfs/dbraw/zinc/19/48/48/572194848.db2.gz WBDFSNCZPQFNNP-ODLFYWEKSA-N -1 0 615.820 5.014 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408537703 572195549 /nfs/dbraw/zinc/19/55/49/572195549.db2.gz WSBTXCYOSNYKPK-WBDHZMATSA-N -1 0 598.780 5.230 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408537636 572195626 /nfs/dbraw/zinc/19/56/26/572195626.db2.gz GNGNWPMXBVNJJG-YSMPRRRNSA-N -1 0 701.526 6.077 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1 ZINC000408537851 572196199 /nfs/dbraw/zinc/19/61/99/572196199.db2.gz HPCIMGOPPCVFIM-RDRPBHBLSA-N -1 0 671.146 7.361 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000408538022 572196391 /nfs/dbraw/zinc/19/63/91/572196391.db2.gz YNMJLZBKYKCOAZ-MOSHPQCFSA-N -1 0 584.220 5.406 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537953 572196595 /nfs/dbraw/zinc/19/65/95/572196595.db2.gz INBSWAIMEISKQR-VULFUBBASA-N -1 0 661.538 7.534 40 10 KKCBRM COc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538099 572196771 /nfs/dbraw/zinc/19/67/71/572196771.db2.gz JAPAOWZFVLOBQH-UHFFFAOYSA-N -1 0 616.262 5.128 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408538130 572196956 /nfs/dbraw/zinc/19/69/56/572196956.db2.gz JOFZBZRSQISDSY-IMRQLAEWSA-N -1 0 671.500 6.069 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538287 572197337 /nfs/dbraw/zinc/19/73/37/572197337.db2.gz KJQVVIQGLQNJHF-WGOQTCKBSA-N -1 0 643.490 6.291 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538297 572197547 /nfs/dbraw/zinc/19/75/47/572197547.db2.gz KNEOTLXVJMWXCX-IWIPYMOSSA-N -1 0 637.903 7.480 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538373 572198007 /nfs/dbraw/zinc/19/80/07/572198007.db2.gz LTMXUPYUXKRWOH-OGLMXYFKSA-N -1 0 657.119 6.970 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408538415 572198130 /nfs/dbraw/zinc/19/81/30/572198130.db2.gz MOTHYUVSNPPHCC-IMRQLAEWSA-N -1 0 627.049 5.960 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538353 572198174 /nfs/dbraw/zinc/19/81/74/572198174.db2.gz LKPXJNBJPAOZEI-ONUIUJJFSA-N -1 0 603.458 6.826 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538711 572199196 /nfs/dbraw/zinc/19/91/96/572199196.db2.gz PNVYVAOMVYCTIV-UHFFFAOYSA-N -1 0 541.387 5.300 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1OC ZINC000408538659 572199223 /nfs/dbraw/zinc/19/92/23/572199223.db2.gz BEVRYZMXBZNUQV-YUMHPJSZSA-N -1 0 687.145 6.979 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Cl)c3)C2=O)cc1OC ZINC000408538805 572199554 /nfs/dbraw/zinc/19/95/54/572199554.db2.gz BXQRZAIBXNBCGK-YSMPRRRNSA-N -1 0 691.564 7.624 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538787 572199678 /nfs/dbraw/zinc/19/96/78/572199678.db2.gz QSYXCETYGSMHEY-ZMOGYAJESA-N -1 0 710.350 7.184 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408538932 572199845 /nfs/dbraw/zinc/19/98/45/572199845.db2.gz RPXCBBSENQEWAI-CPNJWEJPSA-N -1 0 519.823 6.036 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408539084 572200532 /nfs/dbraw/zinc/20/05/32/572200532.db2.gz SNDKELVYISSYQC-CPNJWEJPSA-N -1 0 594.300 6.236 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539161 572200972 /nfs/dbraw/zinc/20/09/72/572200972.db2.gz UJKFIMJRANPMSX-YUMHPJSZSA-N -1 0 715.553 6.467 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539123 572201114 /nfs/dbraw/zinc/20/11/14/572201114.db2.gz TVXPAQLYYROAFD-VULFUBBASA-N -1 0 705.989 7.643 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408539192 572201207 /nfs/dbraw/zinc/20/12/07/572201207.db2.gz FLRGJOMCDGENIT-QNGOZBTKSA-N -1 0 603.510 6.271 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539160 572201219 /nfs/dbraw/zinc/20/12/19/572201219.db2.gz UJIUJMOWLYKEHR-VFCFBJKWSA-N -1 0 578.621 5.918 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408539420 572201911 /nfs/dbraw/zinc/20/19/11/572201911.db2.gz HIXSIEGHWDXSLY-WOJGMQOQSA-N -1 0 549.849 6.045 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1OC ZINC000408539490 572202504 /nfs/dbraw/zinc/20/25/04/572202504.db2.gz HZWXXVYOGICNIQ-QRQIAZFYSA-N -1 0 745.623 7.478 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539462 572202536 /nfs/dbraw/zinc/20/25/36/572202536.db2.gz HVTNHTDRFZJGNQ-IMRQLAEWSA-N -1 0 578.621 5.918 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539466 572202653 /nfs/dbraw/zinc/20/26/53/572202653.db2.gz WLBSMWXCXXUFOB-VQNDASPWSA-N -1 0 684.745 7.497 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539646 572202840 /nfs/dbraw/zinc/20/28/40/572202840.db2.gz XVNGVIUJDJTJAM-MYYYXRDXSA-N -1 0 603.458 6.826 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539703 572203256 /nfs/dbraw/zinc/20/32/56/572203256.db2.gz YBYMAPYJYSAHDC-UQQQWYQISA-N -1 0 617.485 7.217 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408539764 572203359 /nfs/dbraw/zinc/20/33/59/572203359.db2.gz YRTMPEMZKGWRMX-ATVHPVEESA-N -1 0 540.241 6.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539767 572203452 /nfs/dbraw/zinc/20/34/52/572203452.db2.gz YTHIZAOBAGXUQB-YUMHPJSZSA-N -1 0 623.618 5.827 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408539873 572203682 /nfs/dbraw/zinc/20/36/82/572203682.db2.gz KFVPWOSRKHMCRH-ATVHPVEESA-N -1 0 550.247 5.837 40 10 KKCBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408539858 572203704 /nfs/dbraw/zinc/20/37/04/572203704.db2.gz KDQYQZUHIMSLPG-PGMHBOJBSA-N -1 0 510.587 5.118 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540054 572204168 /nfs/dbraw/zinc/20/41/68/572204168.db2.gz MIFGTTBEHHYVTD-ITYLOYPMSA-N -1 0 585.081 6.338 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1Cl ZINC000408539978 572204198 /nfs/dbraw/zinc/20/41/98/572204198.db2.gz LGYCHMFISMDLBN-XSFVSMFZSA-N -1 0 563.478 6.806 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540184 572204568 /nfs/dbraw/zinc/20/45/68/572204568.db2.gz OFJOWAHSSWFFCU-QQXSKIMKSA-N -1 0 657.517 6.681 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540458 572205734 /nfs/dbraw/zinc/20/57/34/572205734.db2.gz SCJHOVONYMQJRU-CVKSISIWSA-N -1 0 613.066 6.490 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000408540529 572206219 /nfs/dbraw/zinc/20/62/19/572206219.db2.gz SWYBBTOAUBTKTK-MWAVMZGNSA-N -1 0 729.624 7.860 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000408541118 572207950 /nfs/dbraw/zinc/20/79/50/572207950.db2.gz XVFFTBULVUSWEO-LICLKQGHSA-N -1 0 584.692 6.491 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000408541414 572208913 /nfs/dbraw/zinc/20/89/13/572208913.db2.gz ZLGSZDJKYXXQJB-BRPDVVIDSA-N -1 0 671.146 7.361 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1 ZINC000408541472 572209029 /nfs/dbraw/zinc/20/90/29/572209029.db2.gz ZQDRYGUFTAITIA-XHPQRKPJSA-N -1 0 597.067 6.872 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543243 572212155 /nfs/dbraw/zinc/21/21/55/572212155.db2.gz OHWIBRRUQILAMQ-HZHRSRAPSA-N -1 0 608.478 5.874 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550263 572233815 /nfs/dbraw/zinc/23/38/15/572233815.db2.gz CCSBTFVMPPOKRA-VXLYETTFSA-N -1 0 663.308 5.847 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550249 572233932 /nfs/dbraw/zinc/23/39/32/572233932.db2.gz BZCACZMDVHUGOJ-GIJQJNRQSA-N -1 0 712.178 6.601 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550850 572235063 /nfs/dbraw/zinc/23/50/63/572235063.db2.gz HQLMAHVUVOHDSX-IUXPMGMMSA-N -1 0 700.700 5.944 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550839 572235069 /nfs/dbraw/zinc/23/50/69/572235069.db2.gz HQBGODMOXKEEQX-APSNUPSMSA-N -1 0 595.222 5.690 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1Cl ZINC000408551129 572235370 /nfs/dbraw/zinc/23/53/70/572235370.db2.gz BUAFHQHRFUGMHG-CAOOACKPSA-N -1 0 637.701 6.402 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551307 572235743 /nfs/dbraw/zinc/23/57/43/572235743.db2.gz CAFQKBQIAFTNSN-MFOYZWKCSA-N -1 0 619.255 5.448 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551529 572236405 /nfs/dbraw/zinc/23/64/05/572236405.db2.gz DQHMXWYDFFRIOR-UUASQNMZSA-N -1 0 688.145 6.755 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551777 572236792 /nfs/dbraw/zinc/23/67/92/572236792.db2.gz GAHMWLMXNJQOGA-CAOOACKPSA-N -1 0 653.700 6.102 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552059 572237301 /nfs/dbraw/zinc/23/73/01/572237301.db2.gz GXXILSOJEVSWAR-WQRHYEAKSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552848 572239466 /nfs/dbraw/zinc/23/94/66/572239466.db2.gz KTCNJJOXEBNYBA-MYYYXRDXSA-N -1 0 695.353 7.019 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000408553023 572239971 /nfs/dbraw/zinc/23/99/71/572239971.db2.gz UMCSDSQHPHRKNX-OMCISZLKSA-N -1 0 716.597 7.164 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408553303 572240325 /nfs/dbraw/zinc/24/03/25/572240325.db2.gz NRERRCBCAXQACB-BOPFTXTBSA-N -1 0 558.805 5.639 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408553270 572240332 /nfs/dbraw/zinc/24/03/32/572240332.db2.gz NIWKJHNPBCNGFP-CAOOACKPSA-N -1 0 579.223 5.984 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408553398 572240382 /nfs/dbraw/zinc/24/03/82/572240382.db2.gz VZGTXXORAKLCAV-HYARGMPZSA-N -1 0 656.519 6.264 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553446 572240677 /nfs/dbraw/zinc/24/06/77/572240677.db2.gz WMVWZJKXSCPLBA-CAOOACKPSA-N -1 0 684.245 5.430 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408553689 572240941 /nfs/dbraw/zinc/24/09/41/572240941.db2.gz PBZYEQNMGDJKIK-ODLFYWEKSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408554297 572241758 /nfs/dbraw/zinc/24/17/58/572241758.db2.gz RLBNDCFNCSDXLE-CHHVJCJISA-N -1 0 658.119 6.747 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554708 572242154 /nfs/dbraw/zinc/24/21/54/572242154.db2.gz TWLMMRIZYQURGZ-MYYYXRDXSA-N -1 0 650.902 6.910 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408554703 572242165 /nfs/dbraw/zinc/24/21/65/572242165.db2.gz SZQGOAKGCBYNJA-VCHYOVAHSA-N -1 0 619.255 5.448 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408554989 572242342 /nfs/dbraw/zinc/24/23/42/572242342.db2.gz UVOZZYOUBMIGSS-YBFXNURJSA-N -1 0 589.229 5.440 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408555192 572242523 /nfs/dbraw/zinc/24/25/23/572242523.db2.gz WEIJWKLWEQLXBX-MFOYZWKCSA-N -1 0 579.223 5.984 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555466 572243055 /nfs/dbraw/zinc/24/30/55/572243055.db2.gz XPUYOKUCSKRJSO-NVMNQCDNSA-N -1 0 589.775 5.239 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1C ZINC000408585095 572266030 /nfs/dbraw/zinc/26/60/30/572266030.db2.gz CMDQXSOPNYDYDP-UHFFFAOYSA-N -1 0 535.021 5.941 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408601974 572273103 /nfs/dbraw/zinc/27/31/03/572273103.db2.gz MORWEWAZIHQFCD-JCMHNJIXSA-N -1 0 516.912 5.985 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)[O-])o2)c1 ZINC000408631609 572287744 /nfs/dbraw/zinc/28/77/44/572287744.db2.gz FYTTZVTXFOTZNS-QRVIBDJDSA-N -1 0 505.596 5.996 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)[O-])o2)c1 ZINC000408631869 572288150 /nfs/dbraw/zinc/28/81/50/572288150.db2.gz GWHVYBVVHRDJJP-YVNNLAQVSA-N -1 0 529.977 6.172 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408632266 572288552 /nfs/dbraw/zinc/28/85/52/572288552.db2.gz IFYKHIAKCPJPIQ-UUYOSTAYSA-N -1 0 531.440 7.036 40 10 KKCBRM Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408632695 572289123 /nfs/dbraw/zinc/28/91/23/572289123.db2.gz HAOOZKLDOXFBOJ-ONUIUJJFSA-N -1 0 527.049 7.417 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])o1 ZINC000408632884 572289430 /nfs/dbraw/zinc/28/94/30/572289430.db2.gz KWHYHGKYFDGAOU-NHDPSOOVSA-N -1 0 560.857 6.786 40 10 KKCBRM Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1ccc(C)c(I)c1 ZINC000408633824 572290726 /nfs/dbraw/zinc/29/07/26/572290726.db2.gz MECPNBSGJVIQCP-NHDPSOOVSA-N -1 0 590.874 6.663 40 10 KKCBRM Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000408634134 572291064 /nfs/dbraw/zinc/29/10/64/572291064.db2.gz PNLDFMDSCJFEHB-NDENLUEZSA-N -1 0 577.831 6.620 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])o1 ZINC000408634662 572291687 /nfs/dbraw/zinc/29/16/87/572291687.db2.gz WFWCSSAXCCXMMO-NKVSQWTQSA-N -1 0 534.396 6.816 40 10 KKCBRM CN(C)c1ccc(N=Nc2ccc(C(=O)NCCCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)cc1 ZINC000255972286 572304326 /nfs/dbraw/zinc/30/43/26/572304326.db2.gz FPOPWTDBGMLRNG-XIFFEERXSA-N -1 0 619.722 7.060 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000260572412 572322740 /nfs/dbraw/zinc/32/27/40/572322740.db2.gz VGFYIMXIKQWQDS-GYZOOYGHSA-N -1 0 516.494 6.325 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260573509 572322758 /nfs/dbraw/zinc/32/27/58/572322758.db2.gz YWQMUHQIGFOZFT-WMRWHDLOSA-N -1 0 510.432 5.616 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1OC(=O)c1cccs1 ZINC000096193343 1069688985 /nfs/dbraw/zinc/68/89/85/1069688985.db2.gz CMOIMESVSYYARC-BOPFTXTBSA-N -1 0 510.955 5.524 40 10 KKCBRM CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1Cl ZINC000102687047 1069706626 /nfs/dbraw/zinc/70/66/26/1069706626.db2.gz AZDAIVRJQUPXLS-PXLXIMEGSA-N -1 0 578.137 5.461 40 10 KKCBRM Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)cc1C ZINC000103100908 1069708492 /nfs/dbraw/zinc/70/84/92/1069708492.db2.gz AOQSMAUXOYZGLG-HAHDFKILSA-N -1 0 502.039 5.762 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OCc1ccccc1 ZINC000108422980 1069716832 /nfs/dbraw/zinc/71/68/32/1069716832.db2.gz BDMKMWSQFOPLFH-JAIQZWGSSA-N -1 0 569.839 6.585 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408775276 1069739019 /nfs/dbraw/zinc/73/90/19/1069739019.db2.gz ZZCFZNYQDMZVMB-WKULSOCRSA-N -1 0 645.541 6.833 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408776695 1069739794 /nfs/dbraw/zinc/73/97/94/1069739794.db2.gz PSZRQEYMYDOXLN-CAOOACKPSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408816609 1069742993 /nfs/dbraw/zinc/74/29/93/1069742993.db2.gz ZABMFFIHERBWCF-BUVRLJJBSA-N -1 0 561.819 6.501 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)c(C)c1 ZINC000408812698 1069742140 /nfs/dbraw/zinc/74/21/40/1069742140.db2.gz XDILWVZOQCCJTR-VCHYOVAHSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408813727 1069743299 /nfs/dbraw/zinc/74/32/99/1069743299.db2.gz RCPRXHUMBOZJQT-UDWIEESQSA-N -1 0 541.387 5.646 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408826076 1069744251 /nfs/dbraw/zinc/74/42/51/1069744251.db2.gz BMMOSJNGMKEKHP-AFUMVMLFSA-N -1 0 692.906 6.844 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)cc1 ZINC000408896237 1069751481 /nfs/dbraw/zinc/75/14/81/1069751481.db2.gz WWAAJAUYCUKLPB-DEDYPNTBSA-N -1 0 600.263 5.856 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408903641 1069752582 /nfs/dbraw/zinc/75/25/82/1069752582.db2.gz VGIPUSQCKSHPCA-RGVLZGJSSA-N -1 0 661.278 5.433 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)c1 ZINC000408892653 1069750553 /nfs/dbraw/zinc/75/05/53/1069750553.db2.gz DHFFVHXNSNLLDR-XDHOZWIPSA-N -1 0 584.264 6.074 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408939428 1069759857 /nfs/dbraw/zinc/75/98/57/1069759857.db2.gz SMGVDCWRXWTSCM-WGOQTCKBSA-N -1 0 587.003 6.312 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408947767 1069761460 /nfs/dbraw/zinc/76/14/60/1069761460.db2.gz DCQRIPFSTSQDPC-WKULSOCRSA-N -1 0 611.138 7.452 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408948335 1069762137 /nfs/dbraw/zinc/76/21/37/1069762137.db2.gz FNOGUPFYBYGTTK-DJKKODMXSA-N -1 0 644.272 5.584 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409087778 1069774315 /nfs/dbraw/zinc/77/43/15/1069774315.db2.gz ZPQRGDGYBKBMKY-LZYBPNLTSA-N -1 0 713.213 6.384 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185699 1069797992 /nfs/dbraw/zinc/79/79/92/1069797992.db2.gz OUYPRQUZHYOZNJ-NFSMCZRPSA-N -1 0 826.507 6.910 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408769371 1069876013 /nfs/dbraw/zinc/87/60/13/1069876013.db2.gz SEULVNPFCMPQGB-GIJQJNRQSA-N -1 0 515.378 5.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000408768204 1069872414 /nfs/dbraw/zinc/87/24/14/1069872414.db2.gz CUVOIUZEHMMVEY-GIJQJNRQSA-N -1 0 564.194 6.140 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408773184 1069885755 /nfs/dbraw/zinc/88/57/55/1069885755.db2.gz PTYLCFBQFKXAKU-VXLYETTFSA-N -1 0 570.783 5.565 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408774188 1069889821 /nfs/dbraw/zinc/88/98/21/1069889821.db2.gz AVXKZGRLUNERRD-KGENOOAVSA-N -1 0 585.365 7.411 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408775245 1069891769 /nfs/dbraw/zinc/89/17/69/1069891769.db2.gz ROSBLGCZCYOPMC-LICLKQGHSA-N -1 0 671.702 6.896 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408777833 1069896268 /nfs/dbraw/zinc/89/62/68/1069896268.db2.gz JXGVJRPZYJHJBH-RQZCQDPDSA-N -1 0 650.309 6.417 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408778595 1069897810 /nfs/dbraw/zinc/89/78/10/1069897810.db2.gz IABJKRGYNYOFBL-FYJGNVAPSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408778691 1069898563 /nfs/dbraw/zinc/89/85/63/1069898563.db2.gz WRXRXILYNHTAKZ-VXLYETTFSA-N -1 0 604.682 6.419 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408779756 1069901604 /nfs/dbraw/zinc/90/16/04/1069901604.db2.gz JWABHPYASDYLJF-MKMNVTDBSA-N -1 0 677.804 5.403 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408779746 1069901650 /nfs/dbraw/zinc/90/16/50/1069901650.db2.gz JOQZEOXBAQTVLM-REZTVBANSA-N -1 0 706.545 7.259 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408779901 1069901694 /nfs/dbraw/zinc/90/16/94/1069901694.db2.gz NEAXMPJGSRXQAF-VCHYOVAHSA-N -1 0 515.324 5.387 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408780107 1069902120 /nfs/dbraw/zinc/90/21/20/1069902120.db2.gz SHPRWCCNBKIYSQ-NTEUORMPSA-N -1 0 565.888 6.030 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408780011 1069902401 /nfs/dbraw/zinc/90/24/01/1069902401.db2.gz PRIUKMCMQYKSBP-VXLYETTFSA-N -1 0 588.227 5.905 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)c1 ZINC000408780218 1069902949 /nfs/dbraw/zinc/90/29/49/1069902949.db2.gz VODPHJFKKWTPDJ-ZMOGYAJESA-N -1 0 681.324 7.069 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408780335 1069903175 /nfs/dbraw/zinc/90/31/75/1069903175.db2.gz BBFXKZNOCFVYFX-HYARGMPZSA-N -1 0 508.441 5.250 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)c1 ZINC000408780776 1069904659 /nfs/dbraw/zinc/90/46/59/1069904659.db2.gz KEQZINCNMBWSFU-KEBDBYFISA-N -1 0 513.352 5.995 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408783126 1069909034 /nfs/dbraw/zinc/90/90/34/1069909034.db2.gz LALRQZKKEGYQIL-RGVLZGJSSA-N -1 0 681.708 6.351 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408784617 1069912460 /nfs/dbraw/zinc/91/24/60/1069912460.db2.gz VDFXTCPEDVKADI-VCHYOVAHSA-N -1 0 623.230 5.852 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408781348 1069915390 /nfs/dbraw/zinc/91/53/90/1069915390.db2.gz BQPRDBWTRRSAMZ-MFKUBSTISA-N -1 0 581.541 5.678 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408781880 1069917026 /nfs/dbraw/zinc/91/70/26/1069917026.db2.gz CPDGKJSISPRVHK-RGVLZGJSSA-N -1 0 573.802 5.886 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408786221 1069920453 /nfs/dbraw/zinc/92/04/53/1069920453.db2.gz HHDYTJBBRPKCHX-KEBDBYFISA-N -1 0 618.311 7.017 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)c1C)CCCC2 ZINC000408789561 1069918269 /nfs/dbraw/zinc/91/82/69/1069918269.db2.gz MKTFGJJYWMZXNH-UDWIEESQSA-N -1 0 582.476 5.250 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)c1 ZINC000408786377 1069921479 /nfs/dbraw/zinc/92/14/79/1069921479.db2.gz IRKYODYESMMCAE-FYJGNVAPSA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408787162 1069923928 /nfs/dbraw/zinc/92/39/28/1069923928.db2.gz SRQWGPVQSWLYHY-WSDLNYQXSA-N -1 0 567.411 5.849 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)c1 ZINC000408786016 1069920815 /nfs/dbraw/zinc/92/08/15/1069920815.db2.gz FAESKVIWNUDLAE-UFWORHAWSA-N -1 0 653.154 7.381 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408795634 1069927750 /nfs/dbraw/zinc/92/77/50/1069927750.db2.gz CPTRDZFWSJIETO-RGVLZGJSSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408796250 1069928580 /nfs/dbraw/zinc/92/85/80/1069928580.db2.gz AADLMSWXUHYSFC-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000408791200 1069929452 /nfs/dbraw/zinc/92/94/52/1069929452.db2.gz WOUYQBZAWKJMKV-UDWIEESQSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408800150 1069935517 /nfs/dbraw/zinc/93/55/17/1069935517.db2.gz NFJNATGDZMPTHV-LICLKQGHSA-N -1 0 576.230 6.010 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408797985 1069933142 /nfs/dbraw/zinc/93/31/42/1069933142.db2.gz HMNSJMOUSZNVDV-LDADJPATSA-N -1 0 590.655 6.110 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408800637 1069936730 /nfs/dbraw/zinc/93/67/30/1069936730.db2.gz OCKUOZQBAONEQK-RGVLZGJSSA-N -1 0 576.230 6.010 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408800231 1069936123 /nfs/dbraw/zinc/93/61/23/1069936123.db2.gz OAKTVYBOSFVKAV-YBFXNURJSA-N -1 0 527.360 5.256 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408806415 1069941904 /nfs/dbraw/zinc/94/19/04/1069941904.db2.gz DUTFOWOEJBLABA-CIAFOILYSA-N -1 0 525.388 5.946 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408807048 1069943322 /nfs/dbraw/zinc/94/33/22/1069943322.db2.gz JYMLBHNGHCUPIR-ZVHZXABRSA-N -1 0 561.819 6.501 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408802318 1069944423 /nfs/dbraw/zinc/94/44/23/1069944423.db2.gz YZQFHFIWHHCASM-PCLIKHOPSA-N -1 0 506.558 5.711 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408803487 1069947666 /nfs/dbraw/zinc/94/76/66/1069947666.db2.gz PPNTVHKIWAZYPN-RQZCQDPDSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408804575 1069950945 /nfs/dbraw/zinc/95/09/45/1069950945.db2.gz YMCFZUSQCOQBMY-LICLKQGHSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408804242 1069950078 /nfs/dbraw/zinc/95/00/78/1069950078.db2.gz DRBUMNWVAGYLQU-LPYMAVHISA-N -1 0 583.424 5.814 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408803276 1069946748 /nfs/dbraw/zinc/94/67/48/1069946748.db2.gz NDJLGBQKHJRUFA-CIAFOILYSA-N -1 0 585.838 5.755 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408805070 1069951736 /nfs/dbraw/zinc/95/17/36/1069951736.db2.gz DANOGPCGVMJGHP-VCHYOVAHSA-N -1 0 519.743 6.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408805084 1069951865 /nfs/dbraw/zinc/95/18/65/1069951865.db2.gz DJMOXRUNTHLREG-XDHOZWIPSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408805664 1069954332 /nfs/dbraw/zinc/95/43/32/1069954332.db2.gz BOGDEZHCNJORMH-NLRVBDNBSA-N -1 0 506.558 5.792 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408805658 1069954358 /nfs/dbraw/zinc/95/43/58/1069954358.db2.gz BMQOXDLSTQOOFA-HYARGMPZSA-N -1 0 551.393 5.102 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)c1 ZINC000408805884 1069955046 /nfs/dbraw/zinc/95/50/46/1069955046.db2.gz IAMYWPATRDDDPC-FYJGNVAPSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408805923 1069955137 /nfs/dbraw/zinc/95/51/37/1069955137.db2.gz IJTBTAOAVFHJFG-CIAFOILYSA-N -1 0 565.840 7.354 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C1=O ZINC000408805947 1069955167 /nfs/dbraw/zinc/95/51/67/1069955167.db2.gz CWPZNAXHGKMXIE-YBFXNURJSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408807922 1069958200 /nfs/dbraw/zinc/95/82/00/1069958200.db2.gz IIUTWZWGEYDIBU-ZVHZXABRSA-N -1 0 526.976 6.056 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408808569 1069959708 /nfs/dbraw/zinc/95/97/08/1069959708.db2.gz QGWBOLXLVSEOBM-RGVLZGJSSA-N -1 0 627.391 5.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408808746 1069960368 /nfs/dbraw/zinc/96/03/68/1069960368.db2.gz NCPPASODJLVMOY-VXLYETTFSA-N -1 0 559.833 6.599 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408810883 1069964687 /nfs/dbraw/zinc/96/46/87/1069964687.db2.gz KOQPZJSRXIMOGY-NLRVBDNBSA-N -1 0 578.694 6.262 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OC(C)C ZINC000408811357 1069965334 /nfs/dbraw/zinc/96/53/34/1069965334.db2.gz QSJXGAHQAWBBSY-OEAKJJBVSA-N -1 0 626.447 5.723 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408809155 1069961565 /nfs/dbraw/zinc/96/15/65/1069961565.db2.gz KJOQCTFFYRBDDF-KEBDBYFISA-N -1 0 559.833 6.599 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408812564 1069968399 /nfs/dbraw/zinc/96/83/99/1069968399.db2.gz PCGZECANIPDBPL-ZVHZXABRSA-N -1 0 662.436 5.485 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408812477 1069968461 /nfs/dbraw/zinc/96/84/61/1069968461.db2.gz OXARGVSBVZEISY-WPWMEQJKSA-N -1 0 583.040 6.563 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408812447 1069968567 /nfs/dbraw/zinc/96/85/67/1069968567.db2.gz SNQXKGAATSRLBU-FYJGNVAPSA-N -1 0 539.813 5.910 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408815330 1069969233 /nfs/dbraw/zinc/96/92/33/1069969233.db2.gz QCFIWCGHNSGGEW-RQZCQDPDSA-N -1 0 536.198 6.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408815293 1069969491 /nfs/dbraw/zinc/96/94/91/1069969491.db2.gz PYDJPOJXLNBEJA-KEBDBYFISA-N -1 0 573.802 5.886 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408816353 1069972590 /nfs/dbraw/zinc/97/25/90/1069972590.db2.gz RNRMQQNFIOBGPK-VXLYETTFSA-N -1 0 515.324 5.387 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408818608 1069976904 /nfs/dbraw/zinc/97/69/04/1069976904.db2.gz XORRMYQXKVAWJJ-KOEQRZSOSA-N -1 0 506.558 5.792 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408818609 1069977171 /nfs/dbraw/zinc/97/71/71/1069977171.db2.gz XPEUPEVEEMLFAA-OEAKJJBVSA-N -1 0 541.003 6.364 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408818817 1069977767 /nfs/dbraw/zinc/97/77/67/1069977767.db2.gz QROWQQFUFBFDIR-CXUHLZMHSA-N -1 0 554.274 6.331 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408813685 1069978364 /nfs/dbraw/zinc/97/83/64/1069978364.db2.gz UXLFZRPKAYFOEZ-WPWMEQJKSA-N -1 0 583.984 6.073 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000408813473 1069978437 /nfs/dbraw/zinc/97/84/37/1069978437.db2.gz UKNMXWQMEZSOIZ-RDRPBHBLSA-N -1 0 567.041 6.781 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408819152 1069978475 /nfs/dbraw/zinc/97/84/75/1069978475.db2.gz WVKLUEIFBFPRJF-HYARGMPZSA-N -1 0 666.899 7.050 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408819231 1069978525 /nfs/dbraw/zinc/97/85/25/1069978525.db2.gz YQXPSFZDEMLKOX-YBFXNURJSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408814612 1069981099 /nfs/dbraw/zinc/98/10/99/1069981099.db2.gz VVMYLIBZXUWWFJ-BUVRLJJBSA-N -1 0 500.913 5.878 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000408814662 1069981271 /nfs/dbraw/zinc/98/12/71/1069981271.db2.gz VYHPYZBSWXOGFZ-WPWMEQJKSA-N -1 0 553.014 6.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408814813 1069981303 /nfs/dbraw/zinc/98/13/03/1069981303.db2.gz WGGMSXFEEFYRNM-CIAFOILYSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815037 1069982016 /nfs/dbraw/zinc/98/20/16/1069982016.db2.gz RHOSTIVOYOPNHE-WSDLNYQXSA-N -1 0 555.483 6.419 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408822951 1069984910 /nfs/dbraw/zinc/98/49/10/1069984910.db2.gz CZQLDCMSGNKENL-ZVHZXABRSA-N -1 0 637.903 7.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408822971 1069985048 /nfs/dbraw/zinc/98/50/48/1069985048.db2.gz DFVGHJHNVZMUQX-VFKNEVJASA-N -1 0 769.652 8.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408823073 1069985931 /nfs/dbraw/zinc/98/59/31/1069985931.db2.gz CHEOPRNQXGBKHT-MFOYZWKCSA-N -1 0 624.753 6.275 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408824315 1069986004 /nfs/dbraw/zinc/98/60/04/1069986004.db2.gz HXMMHAZUOSZXTG-LPYMAVHISA-N -1 0 511.361 5.638 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408823269 1069986714 /nfs/dbraw/zinc/98/67/14/1069986714.db2.gz NNKHANWSELVTSV-FADJLKOXSA-N -1 0 639.107 8.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408823272 1069986885 /nfs/dbraw/zinc/98/68/85/1069986885.db2.gz DPLQJYRTAZHAPZ-SXGWCWSVSA-N -1 0 648.646 7.674 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408823732 1069988908 /nfs/dbraw/zinc/98/89/08/1069988908.db2.gz GAVMHYFSIRVPJS-ODLFYWEKSA-N -1 0 593.783 6.675 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408823892 1069989816 /nfs/dbraw/zinc/98/98/16/1069989816.db2.gz GUBMKBRXAWRYLO-URFBEJBISA-N -1 0 754.681 8.581 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408823986 1069990599 /nfs/dbraw/zinc/99/05/99/1069990599.db2.gz GKPGFNLIHVUWEV-NHDPSOOVSA-N -1 0 706.842 7.371 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408824054 1069990628 /nfs/dbraw/zinc/99/06/28/1069990628.db2.gz GSMMKXVHZUTQCB-LGJNPRDNSA-N -1 0 686.375 8.523 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4cc(Cl)ccc4OCc4ccc(C)cc4)C3=O)cc2)cc1 ZINC000408824141 1069990891 /nfs/dbraw/zinc/99/08/91/1069990891.db2.gz PQSQMEFEZNKSCT-RDRPBHBLSA-N -1 0 567.041 6.781 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408819613 1069992211 /nfs/dbraw/zinc/99/22/11/1069992211.db2.gz ZQLRKCPUPPWPPM-YBFXNURJSA-N -1 0 587.829 6.194 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408821532 1069997677 /nfs/dbraw/zinc/99/76/77/1069997677.db2.gz IOIZCYKVFMZEGR-CIAFOILYSA-N -1 0 555.414 6.035 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408820968 1069995126 /nfs/dbraw/zinc/99/51/26/1069995126.db2.gz AYJJZXGHOLCGKQ-OPTCCTCHSA-N -1 0 744.675 9.125 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408820970 1069995371 /nfs/dbraw/zinc/99/53/71/1069995371.db2.gz AYJJZXGHOLCGKQ-ZFBWJQNISA-N -1 0 744.675 9.125 40 10 KKCBRM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408821291 1069997081 /nfs/dbraw/zinc/99/70/81/1069997081.db2.gz FTQWCSJDENZRKK-LPYMAVHISA-N -1 0 612.420 5.252 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1Cl ZINC000408821710 1069998527 /nfs/dbraw/zinc/99/85/27/1069998527.db2.gz AIVGZSFZZGWUKS-KEPMFTNNSA-N -1 0 744.291 9.925 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408821938 1069999858 /nfs/dbraw/zinc/99/98/58/1069999858.db2.gz ATYZEWOWUIDECQ-AFUMVMLFSA-N -1 0 652.328 7.580 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408825869 1070001693 /nfs/dbraw/zinc/00/16/93/1070001693.db2.gz JVABDOYLZFPYHX-OCSSWDANSA-N -1 0 742.420 8.198 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408825964 1070002207 /nfs/dbraw/zinc/00/22/07/1070002207.db2.gz KFHGJJHSLVJTQB-JAIQZWGSSA-N -1 0 558.940 6.230 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408826319 1070003791 /nfs/dbraw/zinc/00/37/91/1070003791.db2.gz JBUSZKLNBPGRKQ-YZSQISJMSA-N -1 0 617.883 6.927 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc5c6c(c4)[C@H](c4ccccc4)CCN6CC[C@H]5c4ccccc4)C3=O)cc2Br)c1 ZINC000408826729 1070004271 /nfs/dbraw/zinc/00/42/71/1070004271.db2.gz KPYGCCQSIBHFRV-ITCJCKFQSA-N -1 0 738.682 8.881 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408826911 1070004875 /nfs/dbraw/zinc/00/48/75/1070004875.db2.gz LSXLRRABLVBXKE-VULFUBBASA-N -1 0 648.455 6.735 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408826996 1070004917 /nfs/dbraw/zinc/00/49/17/1070004917.db2.gz LYSZZEXEQHNWEU-AFUMVMLFSA-N -1 0 665.899 7.075 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408827736 1070007662 /nfs/dbraw/zinc/00/76/62/1070007662.db2.gz MAAOKNNAIXNFDL-MFKUBSTISA-N -1 0 686.773 8.234 40 10 KKCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000408827156 1070005431 /nfs/dbraw/zinc/00/54/31/1070005431.db2.gz MFTVTIWBKAOLST-KEBDBYFISA-N -1 0 575.832 6.300 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408825082 1070012046 /nfs/dbraw/zinc/01/20/46/1070012046.db2.gz JDRMWBBWCFBODL-CVKSISIWSA-N -1 0 706.933 7.234 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408825285 1070012440 /nfs/dbraw/zinc/01/24/40/1070012440.db2.gz RVQOAKOUFXXWJH-AJBULDERSA-N -1 0 589.047 7.318 40 10 KKCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408825149 1070011878 /nfs/dbraw/zinc/01/18/78/1070011878.db2.gz JKOMFHRWVSICKY-HYARGMPZSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408828929 1070014683 /nfs/dbraw/zinc/01/46/83/1070014683.db2.gz OFOCVFPNRRZDNW-GRSHGNNSSA-N -1 0 637.836 7.074 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408830191 1070017157 /nfs/dbraw/zinc/01/71/57/1070017157.db2.gz OLYGAPCRBNHYQH-BRJLIKDPSA-N -1 0 727.351 7.497 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408836273 1070026690 /nfs/dbraw/zinc/02/66/90/1070026690.db2.gz ZXRWGQSNCPFVJE-WPWMEQJKSA-N -1 0 601.030 6.702 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408832292 1070023201 /nfs/dbraw/zinc/02/32/01/1070023201.db2.gz QEOIYSSECCWUAY-PLNPHXOGSA-N -1 0 649.794 5.763 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408836268 1070026884 /nfs/dbraw/zinc/02/68/84/1070026884.db2.gz ZWQWCUBHJZHWOH-JFLMPSFJSA-N -1 0 617.485 7.135 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408836822 1070028164 /nfs/dbraw/zinc/02/81/64/1070028164.db2.gz VZRTVRCBJKCTIF-OGLMXYFKSA-N -1 0 583.040 6.481 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408837129 1070029612 /nfs/dbraw/zinc/02/96/12/1070029612.db2.gz ZCHFJHCSDJYINL-TWKHWXDSSA-N -1 0 603.074 7.626 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4c(OCc5cccc(Cl)c5)ccc5ccccc54)C3=O)cc2)cc1 ZINC000408833489 1070030968 /nfs/dbraw/zinc/03/09/68/1070030968.db2.gz SOORMRQPPOYHQR-UZWMFBFFSA-N -1 0 603.074 7.626 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408833526 1070031122 /nfs/dbraw/zinc/03/11/22/1070031122.db2.gz SWVRUFSPZVXUPL-RDRPBHBLSA-N -1 0 597.067 6.872 40 10 KKCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408834503 1070033521 /nfs/dbraw/zinc/03/35/21/1070033521.db2.gz VDSOQATXNDHMLA-CIAFOILYSA-N -1 0 545.806 6.291 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408835053 1070035620 /nfs/dbraw/zinc/03/56/20/1070035620.db2.gz WROSHVNXSCVRPD-DHRITJCHSA-N -1 0 730.826 8.632 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2)cc1C ZINC000408834981 1070035657 /nfs/dbraw/zinc/03/56/57/1070035657.db2.gz VSBWMMVXLJWTNK-MUFRIFMGSA-N -1 0 601.486 7.435 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)c(OC)cc1Cl ZINC000408835968 1070039056 /nfs/dbraw/zinc/03/90/56/1070039056.db2.gz OSNPLEZYNGIKRD-VCHYOVAHSA-N -1 0 561.805 5.909 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc(F)cc5)c(Cl)c4)C3=O)cc2)cc1 ZINC000408835958 1070039264 /nfs/dbraw/zinc/03/92/64/1070039264.db2.gz ZYLUJOAMEYUSGU-JVWAILMASA-N -1 0 571.004 6.612 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OC(C)C ZINC000408835617 1070038560 /nfs/dbraw/zinc/03/85/60/1070038560.db2.gz ONOBXCAFUGQUBT-ZVHZXABRSA-N -1 0 640.474 6.031 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408841202 1070044479 /nfs/dbraw/zinc/04/44/79/1070044479.db2.gz JRTAKWITUBLDRF-PLNPHXOGSA-N -1 0 633.726 5.050 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408843565 1070048643 /nfs/dbraw/zinc/04/86/43/1070048643.db2.gz GAXQSMHHEOMUDE-GZTJUZNOSA-N -1 0 580.262 6.305 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2I)c1 ZINC000408846547 1070053804 /nfs/dbraw/zinc/05/38/04/1070053804.db2.gz NXTUXXZPGVUYRN-SRZZPIQSSA-N -1 0 645.291 6.224 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408852468 1070059576 /nfs/dbraw/zinc/05/95/76/1070059576.db2.gz LFQHAFKYOHDHBL-UKTHLTGXSA-N -1 0 522.753 5.646 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)[N-]C1=S ZINC000408852755 1070059777 /nfs/dbraw/zinc/05/97/77/1070059777.db2.gz HZQJTVWMLOJCEY-LDADJPATSA-N -1 0 545.256 5.142 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408852242 1070058952 /nfs/dbraw/zinc/05/89/52/1070058952.db2.gz FGJUMJNJMUHMNS-CXUHLZMHSA-N -1 0 684.295 5.925 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000408849987 1070063475 /nfs/dbraw/zinc/06/34/75/1070063475.db2.gz CKDOCFGUCGWQOO-OVCLIPMQSA-N -1 0 706.158 6.910 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408850469 1070064206 /nfs/dbraw/zinc/06/42/06/1070064206.db2.gz AOHRHIFKMQFETL-KEBDBYFISA-N -1 0 579.403 5.049 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408849204 1070062253 /nfs/dbraw/zinc/06/22/53/1070062253.db2.gz VQBPJSMZGBRGTQ-VIZOYTHASA-N -1 0 636.307 5.904 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1C ZINC000408853884 1070071210 /nfs/dbraw/zinc/07/12/10/1070071210.db2.gz ZCEQZMDWMLRMSX-KEBDBYFISA-N -1 0 540.359 5.764 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000408858521 1070069779 /nfs/dbraw/zinc/06/97/79/1070069779.db2.gz PRGRACCROSSJCS-OKCVXOCRSA-N -1 0 547.699 6.845 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408853712 1070070348 /nfs/dbraw/zinc/07/03/48/1070070348.db2.gz WWYUPOMVQZFMQD-WOJGMQOQSA-N -1 0 575.901 6.764 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408857238 1070067517 /nfs/dbraw/zinc/06/75/17/1070067517.db2.gz LNYORJNUBPPAHJ-OQLLNIDSSA-N -1 0 673.743 6.670 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Br)c4)o3)C2=O)c1 ZINC000408857046 1070067556 /nfs/dbraw/zinc/06/75/56/1070067556.db2.gz KLAQXBREZXRJPU-CPNJWEJPSA-N -1 0 525.355 5.173 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(I)c3)C2=O)cc1C ZINC000408854826 1070073576 /nfs/dbraw/zinc/07/35/76/1070073576.db2.gz JSHVDZFFMFDBNH-RGVLZGJSSA-N -1 0 631.264 5.916 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)c1 ZINC000408855550 1070074596 /nfs/dbraw/zinc/07/45/96/1070074596.db2.gz GAXPLNSRVBQHIB-CXUHLZMHSA-N -1 0 655.195 7.237 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408856407 1070075908 /nfs/dbraw/zinc/07/59/08/1070075908.db2.gz IHFMZAMVHKZBEW-NSKAYECMSA-N -1 0 734.441 7.654 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408856077 1070075063 /nfs/dbraw/zinc/07/50/63/1070075063.db2.gz IBHFYTRHRRZVJR-WGOQTCKBSA-N -1 0 506.558 5.711 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C2=O)cc1C ZINC000408855834 1070075431 /nfs/dbraw/zinc/07/54/31/1070075431.db2.gz FUGXZRNCZCFEIE-RGVLZGJSSA-N -1 0 678.264 5.758 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408856078 1070075467 /nfs/dbraw/zinc/07/54/67/1070075467.db2.gz HDMLTBFQWQXDDK-RGVLZGJSSA-N -1 0 510.363 5.279 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408869867 1070081083 /nfs/dbraw/zinc/08/10/83/1070081083.db2.gz SDMDJGOOAHGSHL-CAOOACKPSA-N -1 0 686.127 6.626 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408865010 1070081551 /nfs/dbraw/zinc/08/15/51/1070081551.db2.gz ANTZABNFFCRJGS-YDZHTSKRSA-N -1 0 523.416 6.266 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408865167 1070082347 /nfs/dbraw/zinc/08/23/47/1070082347.db2.gz BLDOQRCIDPKZOV-WSDLNYQXSA-N -1 0 598.412 5.703 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408865663 1070083571 /nfs/dbraw/zinc/08/35/71/1070083571.db2.gz DHWVKQDPWAEVCG-ZVHZXABRSA-N -1 0 547.007 5.399 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408866162 1070084744 /nfs/dbraw/zinc/08/47/44/1070084744.db2.gz FYXHWHRYRQJAOR-VUTHCHCSSA-N -1 0 532.596 5.891 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1Cc1ccccc1Br ZINC000408865949 1070084865 /nfs/dbraw/zinc/08/48/65/1070084865.db2.gz DXXSXIKBWGTJJU-WPWMEQJKSA-N -1 0 597.465 6.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408866177 1070084981 /nfs/dbraw/zinc/08/49/81/1070084981.db2.gz GCQVYDZZMPPDCE-CIAFOILYSA-N -1 0 557.803 5.898 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408866509 1070085381 /nfs/dbraw/zinc/08/53/81/1070085381.db2.gz HRRWBWPFEILVPJ-LPYMAVHISA-N -1 0 584.385 5.395 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3Br)C2=O)cc1C ZINC000408867495 1070087408 /nfs/dbraw/zinc/08/74/08/1070087408.db2.gz LCCGGPGMPQPKPI-HYARGMPZSA-N -1 0 568.265 6.086 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408868566 1070090187 /nfs/dbraw/zinc/09/01/87/1070090187.db2.gz NSNLZKHVLCWBRK-VXLYETTFSA-N -1 0 604.682 6.131 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408868824 1070090352 /nfs/dbraw/zinc/09/03/52/1070090352.db2.gz PCEJYSJCECXGLT-UDWIEESQSA-N -1 0 553.840 6.067 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408868999 1070090790 /nfs/dbraw/zinc/09/07/90/1070090790.db2.gz QEUXKASIWTZOGO-JCMHNJIXSA-N -1 0 511.465 5.133 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408870462 1070093894 /nfs/dbraw/zinc/09/38/94/1070093894.db2.gz FAGVYQNRKDJEPS-PDGQHHTCSA-N -1 0 529.749 5.487 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1 ZINC000408875048 1070092581 /nfs/dbraw/zinc/09/25/81/1070092581.db2.gz BWUCRHYUFIIPDN-RGVLZGJSSA-N -1 0 558.259 6.630 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Br)c1 ZINC000408870233 1070093469 /nfs/dbraw/zinc/09/34/69/1070093469.db2.gz UBRUGZPJIALIPT-BOPFTXTBSA-N -1 0 513.750 5.499 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408870850 1070094680 /nfs/dbraw/zinc/09/46/80/1070094680.db2.gz UVIXCUGBNGMLDJ-UNOMPAQXSA-N -1 0 527.827 5.513 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1Cc1ccccc1F ZINC000408871427 1070095970 /nfs/dbraw/zinc/09/59/70/1070095970.db2.gz GKEZWWLMBIZESM-BKUYFWCQSA-N -1 0 598.412 5.649 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408871958 1070096741 /nfs/dbraw/zinc/09/67/41/1070096741.db2.gz IIQUCCZMYXWXBP-VXLYETTFSA-N -1 0 586.236 5.183 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cc1ccccc1F ZINC000408871804 1070096791 /nfs/dbraw/zinc/09/67/91/1070096791.db2.gz ZUKGSPPJCMKQHO-YBFXNURJSA-N -1 0 513.352 5.788 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408873364 1070099071 /nfs/dbraw/zinc/09/90/71/1070099071.db2.gz PVJDAZWKTLUMCA-SSDVNMTOSA-N -1 0 614.867 6.136 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408872209 1070097331 /nfs/dbraw/zinc/09/73/31/1070097331.db2.gz BCGUMOGGJMZQQN-SSDVNMTOSA-N -1 0 553.840 5.985 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408873189 1070099124 /nfs/dbraw/zinc/09/91/24/1070099124.db2.gz OFVNVKDKKAHLRR-CIAFOILYSA-N -1 0 567.867 6.375 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408872802 1070098088 /nfs/dbraw/zinc/09/80/88/1070098088.db2.gz IZWCRZPRYCCIQL-JVWAILMASA-N -1 0 571.004 6.324 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408873570 1070099340 /nfs/dbraw/zinc/09/93/40/1070099340.db2.gz SCZGAUVCEIOWTH-SRZZPIQSSA-N -1 0 604.803 5.740 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408874420 1070101582 /nfs/dbraw/zinc/10/15/82/1070101582.db2.gz BHDFHEMZHBUVCT-KOEQRZSOSA-N -1 0 524.960 5.537 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408874813 1070102292 /nfs/dbraw/zinc/10/22/92/1070102292.db2.gz BCDCDSJVEHWOJA-USHMODERSA-N -1 0 514.606 6.403 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408874701 1070102397 /nfs/dbraw/zinc/10/23/97/1070102397.db2.gz FLLNZJHNUXSOHH-KEBDBYFISA-N -1 0 604.803 5.658 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408880144 1070105784 /nfs/dbraw/zinc/10/57/84/1070105784.db2.gz DPFLMSBVVILPNH-CIAFOILYSA-N -1 0 509.389 5.876 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408880155 1070105811 /nfs/dbraw/zinc/10/58/11/1070105811.db2.gz GDPYBRNJPDFWOQ-NDENLUEZSA-N -1 0 555.881 5.923 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408875736 1070108048 /nfs/dbraw/zinc/10/80/48/1070108048.db2.gz HGBXFNJRDVTXPZ-NHDPSOOVSA-N -1 0 543.523 5.486 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Br)c3)C2=O)c1C ZINC000408875778 1070108114 /nfs/dbraw/zinc/10/81/14/1070108114.db2.gz KTUWWRCKPFJRTM-UDWIEESQSA-N -1 0 568.265 6.086 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1 ZINC000408876750 1070110167 /nfs/dbraw/zinc/11/01/67/1070110167.db2.gz NEPGJZXZLKBURM-WGOQTCKBSA-N -1 0 557.433 6.830 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408877138 1070111147 /nfs/dbraw/zinc/11/11/47/1070111147.db2.gz TTYHMWICNGJZOV-ZDLGFXPLSA-N -1 0 606.325 6.565 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408877233 1070111885 /nfs/dbraw/zinc/11/18/85/1070111885.db2.gz UKTANXXVQIMOOI-DJKKODMXSA-N -1 0 529.807 6.221 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408877464 1070111905 /nfs/dbraw/zinc/11/19/05/1070111905.db2.gz VGHMSVLOEPWZIG-BKUYFWCQSA-N -1 0 539.415 6.200 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Cl ZINC000408877718 1070112865 /nfs/dbraw/zinc/11/28/65/1070112865.db2.gz UBWINWXGGYFOPR-DEDYPNTBSA-N -1 0 574.656 6.122 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408878405 1070115145 /nfs/dbraw/zinc/11/51/45/1070115145.db2.gz ALHLCFAEBNDEFS-NLRVBDNBSA-N -1 0 522.532 5.413 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Br)c1 ZINC000408878777 1070116129 /nfs/dbraw/zinc/11/61/29/1070116129.db2.gz AZXDHEKZCHJEMI-RQZCQDPDSA-N -1 0 609.101 6.776 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408883375 1070116958 /nfs/dbraw/zinc/11/69/58/1070116958.db2.gz UGCWEJLPRCFNER-YBFXNURJSA-N -1 0 635.285 6.562 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408883786 1070117702 /nfs/dbraw/zinc/11/77/02/1070117702.db2.gz UWXWCELPAGPFEN-WQRHYEAKSA-N -1 0 602.304 5.631 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408884622 1070119169 /nfs/dbraw/zinc/11/91/69/1070119169.db2.gz XXEZTNGFYSOKDJ-VCHYOVAHSA-N -1 0 665.132 6.228 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408885124 1070120309 /nfs/dbraw/zinc/12/03/09/1070120309.db2.gz WYMBIGXXKUIACG-YBFXNURJSA-N -1 0 571.830 6.206 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408885238 1070120838 /nfs/dbraw/zinc/12/08/38/1070120838.db2.gz YOJNFHLUDPYMLN-WSDLNYQXSA-N -1 0 537.385 5.471 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408880770 1070122352 /nfs/dbraw/zinc/12/23/52/1070122352.db2.gz HFLBCYPMVDLHKR-RGVLZGJSSA-N -1 0 635.227 5.459 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1ccccc1Br ZINC000408881532 1070124278 /nfs/dbraw/zinc/12/42/78/1070124278.db2.gz MTBAUESVMBNWPZ-FYJGNVAPSA-N -1 0 519.395 5.332 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408881526 1070124307 /nfs/dbraw/zinc/12/43/07/1070124307.db2.gz LOXGPWSHEYVARB-YDZHTSKRSA-N -1 0 607.457 5.497 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408888756 1070130234 /nfs/dbraw/zinc/13/02/34/1070130234.db2.gz ACRNLHKIHNFQAR-ODLFYWEKSA-N -1 0 541.398 5.007 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408882231 1070126106 /nfs/dbraw/zinc/12/61/06/1070126106.db2.gz OBJZDVXHDWDIAI-YDZHTSKRSA-N -1 0 610.448 5.861 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408889377 1070130902 /nfs/dbraw/zinc/13/09/02/1070130902.db2.gz FTJNKAOWORQHLB-YZSQISJMSA-N -1 0 601.428 6.413 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)c1C ZINC000408889904 1070132472 /nfs/dbraw/zinc/13/24/72/1070132472.db2.gz KQWRZXNSVJEMPJ-LFVJCYFKSA-N -1 0 555.428 6.465 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)c(C)c1 ZINC000408890415 1070133283 /nfs/dbraw/zinc/13/32/83/1070133283.db2.gz SSBUXHJVHITFJO-LFVJCYFKSA-N -1 0 555.428 6.465 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(Br)c3)C2=O)c1 ZINC000408886903 1070137019 /nfs/dbraw/zinc/13/70/19/1070137019.db2.gz MXLAKDNBDQBHPO-LPYMAVHISA-N -1 0 519.395 5.620 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408887107 1070137035 /nfs/dbraw/zinc/13/70/35/1070137035.db2.gz MCMAUZBDIKRZOE-MTJSOVHGSA-N -1 0 507.011 5.376 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408887808 1070138749 /nfs/dbraw/zinc/13/87/49/1070138749.db2.gz RDEGBLABLQSPKJ-LPYMAVHISA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893912 1070141290 /nfs/dbraw/zinc/14/12/90/1070141290.db2.gz GVKCAGGVEUMSEM-WPWMEQJKSA-N -1 0 691.556 6.169 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408896879 1070146112 /nfs/dbraw/zinc/14/61/12/1070146112.db2.gz LPHWPQSXYDONDR-JAIQZWGSSA-N -1 0 569.839 5.973 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408895322 1070146163 /nfs/dbraw/zinc/14/61/63/1070146163.db2.gz FCUKNFLPEPEAOI-GRSHGNNSSA-N -1 0 618.253 5.913 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408896218 1070149306 /nfs/dbraw/zinc/14/93/06/1070149306.db2.gz QNMNGVVUJZKPBO-NLRVBDNBSA-N -1 0 538.987 6.164 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Br ZINC000408893108 1070155154 /nfs/dbraw/zinc/15/51/54/1070155154.db2.gz FKPBZKAVKGAZOE-UYRXBGFRSA-N -1 0 572.278 5.622 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408893400 1070155926 /nfs/dbraw/zinc/15/59/26/1070155926.db2.gz ACHCOTJSMXSLGP-JLPGSUDCSA-N -1 0 549.967 5.673 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)c1C ZINC000408893518 1070156078 /nfs/dbraw/zinc/15/60/78/1070156078.db2.gz GQQRQRFMTLWUED-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408900044 1070161035 /nfs/dbraw/zinc/16/10/35/1070161035.db2.gz RCOFGLFLRILNDO-IMRQLAEWSA-N -1 0 599.481 7.027 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408899669 1070159396 /nfs/dbraw/zinc/15/93/96/1070159396.db2.gz VGTAOLNIKXGQDC-IUXPMGMMSA-N -1 0 716.153 6.923 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408899628 1070159437 /nfs/dbraw/zinc/15/94/37/1070159437.db2.gz PODCZWAHTAPGEX-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408900774 1070165029 /nfs/dbraw/zinc/16/50/29/1070165029.db2.gz UVJMCYKYGQDYMV-IWIPYMOSSA-N -1 0 549.023 6.081 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408900851 1070165073 /nfs/dbraw/zinc/16/50/73/1070165073.db2.gz YBVVQOYMOLHYRD-GIJQJNRQSA-N -1 0 637.257 6.160 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)c1C ZINC000408900841 1070165080 /nfs/dbraw/zinc/16/50/80/1070165080.db2.gz XZUOQTQUAMLZPF-FYJGNVAPSA-N -1 0 523.358 5.450 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408897510 1070171750 /nfs/dbraw/zinc/17/17/50/1070171750.db2.gz NMYADHHRLBIOFM-NHDPSOOVSA-N -1 0 675.317 6.233 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408901637 1070168534 /nfs/dbraw/zinc/16/85/34/1070168534.db2.gz ZJFPDVCRVHRNQS-HAHDFKILSA-N -1 0 583.866 6.527 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)cc1C ZINC000408898803 1070176092 /nfs/dbraw/zinc/17/60/92/1070176092.db2.gz MSTKMDYBQBTCSV-MTJSOVHGSA-N -1 0 598.291 6.382 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408898519 1070174831 /nfs/dbraw/zinc/17/48/31/1070174831.db2.gz WMWPMYAUXKYBCP-RQZCQDPDSA-N -1 0 716.153 7.005 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408899180 1070177482 /nfs/dbraw/zinc/17/74/82/1070177482.db2.gz NWHVBLANWOGPKE-UDWIEESQSA-N -1 0 569.397 5.424 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408902298 1070182770 /nfs/dbraw/zinc/18/27/70/1070182770.db2.gz MVDNSDVPWPTDEF-YDZHTSKRSA-N -1 0 570.486 6.531 40 10 KKCBRM CC[C@H](C)Oc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408902901 1070185003 /nfs/dbraw/zinc/18/50/03/1070185003.db2.gz NGQOFLMBOJCOKX-RGZVIEDOSA-N -1 0 552.219 5.064 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(C)C ZINC000408903035 1070185685 /nfs/dbraw/zinc/18/56/85/1070185685.db2.gz OEKLNZHDGWSAQH-HYARGMPZSA-N -1 0 506.400 5.646 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408903274 1070186264 /nfs/dbraw/zinc/18/62/64/1070186264.db2.gz WVGLRZIIFIYVIY-UDWIEESQSA-N -1 0 605.329 6.895 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1 ZINC000408908314 1070193495 /nfs/dbraw/zinc/19/34/95/1070193495.db2.gz BOLYZTRNADDVBL-YBFXNURJSA-N -1 0 511.397 5.785 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408913770 1070211550 /nfs/dbraw/zinc/21/15/50/1070211550.db2.gz NQKYYYDDKAYBHC-DJKKODMXSA-N -1 0 515.324 5.387 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000408914610 1070214231 /nfs/dbraw/zinc/21/42/31/1070214231.db2.gz REXZCLQXXISXKT-LGJNPRDNSA-N -1 0 617.565 7.636 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408934265 1070269044 /nfs/dbraw/zinc/26/90/44/1070269044.db2.gz DMDZDXATNKVZBE-JVWAILMASA-N -1 0 681.550 6.714 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)c2)cc1 ZINC000408935104 1070271677 /nfs/dbraw/zinc/27/16/77/1070271677.db2.gz GRVUALYZDLABJV-VEILYXNESA-N -1 0 603.052 5.662 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)c2)cc1 ZINC000408935099 1070271788 /nfs/dbraw/zinc/27/17/88/1070271788.db2.gz GQWSFWKGIFOXCX-IMRQLAEWSA-N -1 0 603.052 5.662 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000408935155 1070272290 /nfs/dbraw/zinc/27/22/90/1070272290.db2.gz GZSHBHPTVZCSNF-WQRHYEAKSA-N -1 0 535.305 6.258 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408934251 1070268620 /nfs/dbraw/zinc/26/86/20/1070268620.db2.gz DJEAVAJARJQXEI-RGVLZGJSSA-N -1 0 647.809 5.497 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935581 1070273987 /nfs/dbraw/zinc/27/39/87/1070273987.db2.gz HZAIJECLFFMMMR-MFKUBSTISA-N -1 0 711.974 6.433 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 ZINC000408938773 1070281009 /nfs/dbraw/zinc/28/10/09/1070281009.db2.gz ROJCEUUWMCVHII-MTDXEUNCSA-N -1 0 567.041 6.781 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408939375 1070282710 /nfs/dbraw/zinc/28/27/10/1070282710.db2.gz RYYMHOIPMCWQCE-RDRPBHBLSA-N -1 0 657.937 8.624 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408939470 1070283221 /nfs/dbraw/zinc/28/32/21/1070283221.db2.gz MQQAMSVDLUGCFA-PCLIKHOPSA-N -1 0 507.502 5.302 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408940146 1070284810 /nfs/dbraw/zinc/28/48/10/1070284810.db2.gz UKOHQTSVTYXJSU-BKUYFWCQSA-N -1 0 511.759 5.348 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408937398 1070291102 /nfs/dbraw/zinc/29/11/02/1070291102.db2.gz JDDSECAVHSGPQY-BUVRLJJBSA-N -1 0 511.465 5.133 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408938443 1070294923 /nfs/dbraw/zinc/29/49/23/1070294923.db2.gz QRECEWDKMMLMCH-MFKUBSTISA-N -1 0 591.422 6.957 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000408942571 1070303052 /nfs/dbraw/zinc/30/30/52/1070303052.db2.gz ZJSKDFWCEVQNRI-FYJGNVAPSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1O ZINC000408942604 1070303223 /nfs/dbraw/zinc/30/32/23/1070303223.db2.gz ZPOXUQSCTVKZRK-RGVLZGJSSA-N -1 0 527.360 5.343 40 10 KKCBRM COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408949459 1070306168 /nfs/dbraw/zinc/30/61/68/1070306168.db2.gz ICZZBFAWHFTLLS-ZVBGSRNCSA-N -1 0 708.334 6.039 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408947204 1070310826 /nfs/dbraw/zinc/31/08/26/1070310826.db2.gz BFEYBTMSNHVXCT-UVHMKAGCSA-N -1 0 631.556 7.715 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1 ZINC000408955807 1070316830 /nfs/dbraw/zinc/31/68/30/1070316830.db2.gz UQUQZDBFBGXAEX-RWPZCVJISA-N -1 0 658.536 7.004 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1)Nc1ccccc1 ZINC000408953933 1070316885 /nfs/dbraw/zinc/31/68/85/1070316885.db2.gz QONUBZFBNQJPGV-OCSSWDANSA-N -1 0 575.665 5.838 40 10 KKCBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408954619 1070317658 /nfs/dbraw/zinc/31/76/58/1070317658.db2.gz RYDJDXXMXXRALA-WYMPLXKRSA-N -1 0 593.518 6.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000408951041 1070320065 /nfs/dbraw/zinc/32/00/65/1070320065.db2.gz KTRLJZUFEFMSPN-LCHNLNGOSA-N -1 0 577.121 7.050 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408951953 1070321120 /nfs/dbraw/zinc/32/11/20/1070321120.db2.gz NAGWNMUDVIZSFK-CIAFOILYSA-N -1 0 548.382 5.700 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408981287 1070339276 /nfs/dbraw/zinc/33/92/76/1070339276.db2.gz ACVIXQQCPYOUDZ-XKZIYDEJSA-N -1 0 549.967 5.455 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408982437 1070341209 /nfs/dbraw/zinc/34/12/09/1070341209.db2.gz GZNSNIKHSMGXKU-JMIUGGIZSA-N -1 0 616.839 5.815 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408982461 1070341243 /nfs/dbraw/zinc/34/12/43/1070341243.db2.gz HCDVGOKIXIYJCM-BKUYFWCQSA-N -1 0 614.411 5.637 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1Cl ZINC000408981309 1070339220 /nfs/dbraw/zinc/33/92/20/1070339220.db2.gz AFAJJOZTANFUQV-NVMNQCDNSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(I)c3)C2=O)cc1Cl ZINC000408985285 1070345832 /nfs/dbraw/zinc/34/58/32/1070345832.db2.gz WHKDBXZBDKSSDU-LSCVHKIXSA-N -1 0 716.672 6.242 40 10 KKCBRM O=C(CSc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408987072 1070349287 /nfs/dbraw/zinc/34/92/87/1070349287.db2.gz ADAOAAXWONPYAY-OEAKJJBVSA-N -1 0 568.636 5.310 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408986465 1070348436 /nfs/dbraw/zinc/34/84/36/1070348436.db2.gz MCHOXFTYHUSWKM-BKUYFWCQSA-N -1 0 584.264 6.019 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408984702 1070353326 /nfs/dbraw/zinc/35/33/26/1070353326.db2.gz SQCHWSPAORGCIU-MTJSOVHGSA-N -1 0 593.430 5.384 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408991116 1070357712 /nfs/dbraw/zinc/35/77/12/1070357712.db2.gz MULSCLPZBQDMTJ-LDADJPATSA-N -1 0 546.586 5.421 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)N(c5ccc(C)cc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408991141 1070357931 /nfs/dbraw/zinc/35/79/31/1070357931.db2.gz MXRMBBUOXLOMLV-XDHOZWIPSA-N -1 0 560.613 5.729 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408991656 1070358375 /nfs/dbraw/zinc/35/83/75/1070358375.db2.gz OTOLESQJZWTMMA-HZHRSRAPSA-N -1 0 651.751 6.748 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991689 1070358764 /nfs/dbraw/zinc/35/87/64/1070358764.db2.gz OWLXPKZJKDHUMR-BUVRLJJBSA-N -1 0 665.778 7.056 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(I)c(C)c4)c3C)C2=O)cc1 ZINC000408989278 1070362546 /nfs/dbraw/zinc/36/25/46/1070362546.db2.gz TZBGEOZNPIBEJG-HYARGMPZSA-N -1 0 553.400 5.236 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408995323 1070363638 /nfs/dbraw/zinc/36/36/38/1070363638.db2.gz MEYJGZPLSCVESX-LDADJPATSA-N -1 0 593.204 5.843 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)c(C)c1 ZINC000408997465 1070367230 /nfs/dbraw/zinc/36/72/30/1070367230.db2.gz GOPDAWNLSFAFIK-HYARGMPZSA-N -1 0 568.436 5.318 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409025237 1070408985 /nfs/dbraw/zinc/40/89/85/1070408985.db2.gz OITGEMJRPNYNDI-YBFXNURJSA-N -1 0 590.655 6.110 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409040683 1070428306 /nfs/dbraw/zinc/42/83/06/1070428306.db2.gz HNQYNROVLSPOGR-CNHKJKLMSA-N -1 0 584.670 7.507 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409038698 1070429113 /nfs/dbraw/zinc/42/91/13/1070429113.db2.gz AREQHHNYFZAZDW-WOJGMQOQSA-N -1 0 501.753 5.892 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409041203 1070437659 /nfs/dbraw/zinc/43/76/59/1070437659.db2.gz JCJJMKRRKRXWDJ-DJKKODMXSA-N -1 0 591.201 5.910 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000409046218 1070455317 /nfs/dbraw/zinc/45/53/17/1070455317.db2.gz JPZHLRJTZDILKD-RGVLZGJSSA-N -1 0 620.681 6.119 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000409047223 1070457921 /nfs/dbraw/zinc/45/79/21/1070457921.db2.gz NHWHIZQFJWRBDY-DJKKODMXSA-N -1 0 669.153 7.163 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409047291 1070458898 /nfs/dbraw/zinc/45/88/98/1070458898.db2.gz MDPOOQNIKQBDMC-UDWIEESQSA-N -1 0 568.413 5.384 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409050761 1070466047 /nfs/dbraw/zinc/46/60/47/1070466047.db2.gz ZKWZOTFGBUOHRY-VCHYOVAHSA-N -1 0 669.551 6.873 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C1=O ZINC000409048627 1070461594 /nfs/dbraw/zinc/46/15/94/1070461594.db2.gz TVZLRMHXPMRQSC-LICLKQGHSA-N -1 0 550.225 6.854 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000409049018 1070462349 /nfs/dbraw/zinc/46/23/49/1070462349.db2.gz VNSHDQYXQNHZMU-CIAFOILYSA-N -1 0 614.290 6.164 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C)cc3)C2=O)cc1 ZINC000409058116 1070470795 /nfs/dbraw/zinc/47/07/95/1070470795.db2.gz RJMLRMJYLFYUJM-CIAFOILYSA-N -1 0 628.273 5.552 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409053919 1070474172 /nfs/dbraw/zinc/47/41/72/1070474172.db2.gz DPKHTTGKISZAEJ-VXLYETTFSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409064006 1070479683 /nfs/dbraw/zinc/47/96/83/1070479683.db2.gz BEADSUVRGYHIMI-MHWRWJLKSA-N -1 0 551.791 5.081 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409068050 1070484627 /nfs/dbraw/zinc/48/46/27/1070484627.db2.gz FNFQBCZDXRGTQQ-GIJQJNRQSA-N -1 0 600.263 6.043 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1C ZINC000409069676 1070494794 /nfs/dbraw/zinc/49/47/94/1070494794.db2.gz WXEACIBHXULCRK-UDWIEESQSA-N -1 0 634.302 5.263 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409070649 1070496290 /nfs/dbraw/zinc/49/62/90/1070496290.db2.gz DJCRLIZJTMPYOS-UHFFFAOYSA-N -1 0 552.970 6.201 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1C ZINC000409071152 1070497093 /nfs/dbraw/zinc/49/70/93/1070497093.db2.gz FFICPCYEOMEFKM-VXLYETTFSA-N -1 0 579.845 5.698 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072345 1070498324 /nfs/dbraw/zinc/49/83/24/1070498324.db2.gz RSSOHRKAXCRGLY-LICLKQGHSA-N -1 0 630.687 5.843 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409085098 1070511182 /nfs/dbraw/zinc/51/11/82/1070511182.db2.gz WNTJQGDNARQUKB-RQZCQDPDSA-N -1 0 587.726 5.378 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S ZINC000409090602 1070524937 /nfs/dbraw/zinc/52/49/37/1070524937.db2.gz RNTAEVSWCZLTQJ-XNTDXEJSSA-N -1 0 501.347 5.091 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409098483 1070531379 /nfs/dbraw/zinc/53/13/79/1070531379.db2.gz IODHVXPQFMXCNJ-OEAKJJBVSA-N -1 0 632.054 6.496 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409105716 1070540005 /nfs/dbraw/zinc/54/00/05/1070540005.db2.gz OBERFRWRILDNIJ-JXCQQFQQSA-N -1 0 507.837 5.420 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409106711 1070540969 /nfs/dbraw/zinc/54/09/69/1070540969.db2.gz SVVBJTZZSUDHDQ-YBFXNURJSA-N -1 0 508.987 5.104 40 10 KKCBRM Cc1ccc(NC(=O)c2c([N-]S(=O)(=O)c3cccc4cccc(Cl)c43)sc3c2CCCC3)cc1 ZINC000409120009 1070546400 /nfs/dbraw/zinc/54/64/00/1070546400.db2.gz SDZDQCHYARDAKD-UHFFFAOYSA-N -1 0 511.068 6.795 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409125034 1070552608 /nfs/dbraw/zinc/55/26/08/1070552608.db2.gz ITZHKQAQJCWDSJ-CIAFOILYSA-N -1 0 693.956 5.338 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1OC ZINC000409149264 1070567128 /nfs/dbraw/zinc/56/71/28/1070567128.db2.gz ZXEKQPKUZFBMJF-BUVRLJJBSA-N -1 0 534.996 5.378 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409143846 1070571627 /nfs/dbraw/zinc/57/16/27/1070571627.db2.gz JCWHWVSPFJPNMK-UUYOSTAYSA-N -1 0 591.911 6.675 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409160303 1070575389 /nfs/dbraw/zinc/57/53/89/1070575389.db2.gz GCCZQBZGDKVQCZ-WSDLNYQXSA-N -1 0 638.392 7.198 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409172847 1070588296 /nfs/dbraw/zinc/58/82/96/1070588296.db2.gz LYRXNRHQQFGAOF-OOAXWGSJSA-N -1 0 634.555 7.414 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)[N-]C1=S ZINC000409175046 1070590428 /nfs/dbraw/zinc/59/04/28/1070590428.db2.gz YPRKJTNAVOGBRY-YZSQISJMSA-N -1 0 616.537 6.276 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181878 1070599590 /nfs/dbraw/zinc/59/95/90/1070599590.db2.gz GJXFWSVGVCXDPG-MLGFWZSSSA-N -1 0 698.845 7.494 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184472 1070604107 /nfs/dbraw/zinc/60/41/07/1070604107.db2.gz XJRSHIVNXAQOOS-OURMJXGFSA-N -1 0 608.676 5.694 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409182648 1070600899 /nfs/dbraw/zinc/60/08/99/1070600899.db2.gz MLYIGHKHQBWJOQ-CIAFOILYSA-N -1 0 509.971 5.121 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409194113 1070612780 /nfs/dbraw/zinc/61/27/80/1070612780.db2.gz MYGWIVSGJPVVAP-OEAKJJBVSA-N -1 0 638.471 5.786 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409194198 1070612910 /nfs/dbraw/zinc/61/29/10/1070612910.db2.gz OLXYKYGQTPUDRX-VFCFBJKWSA-N -1 0 564.638 6.268 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409195944 1070615643 /nfs/dbraw/zinc/61/56/43/1070615643.db2.gz XAGFACYOOOOFAC-OEAKJJBVSA-N -1 0 655.517 6.415 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000409248718 1070665590 /nfs/dbraw/zinc/66/55/90/1070665590.db2.gz FQECTNYKDLUEST-DJKKODMXSA-N -1 0 588.831 5.648 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)c(C)c1 ZINC000409248575 1070665616 /nfs/dbraw/zinc/66/56/16/1070665616.db2.gz DUDZZPYZJGUBFE-ODLFYWEKSA-N -1 0 643.357 5.677 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409258670 1070679736 /nfs/dbraw/zinc/67/97/36/1070679736.db2.gz VEHBXMFPJDGXGA-HYARGMPZSA-N -1 0 699.498 5.171 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409253157 1070685449 /nfs/dbraw/zinc/68/54/49/1070685449.db2.gz WCDKSBDBQJKJFO-YDZHTSKRSA-N -1 0 578.021 5.048 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409264471 1070687653 /nfs/dbraw/zinc/68/76/53/1070687653.db2.gz LLVOKNYLQOTBII-VCHYOVAHSA-N -1 0 617.225 5.035 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409265750 1070689783 /nfs/dbraw/zinc/68/97/83/1070689783.db2.gz OMWHHHFNUAIVHP-KEBDBYFISA-N -1 0 626.891 5.720 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1 ZINC000409252664 1070684665 /nfs/dbraw/zinc/68/46/65/1070684665.db2.gz DBAJEONNLQSRIQ-OEAKJJBVSA-N -1 0 592.048 5.438 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c1C ZINC000409265642 1070689897 /nfs/dbraw/zinc/68/98/97/1070689897.db2.gz ULNMZKODPFEHNY-PKAZHMFMSA-N -1 0 610.066 6.220 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000409267309 1070691817 /nfs/dbraw/zinc/69/18/17/1070691817.db2.gz UUFWNAQAYBFUQR-OCKHKDLRSA-N -1 0 616.841 5.426 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261708 1070697704 /nfs/dbraw/zinc/69/77/04/1070697704.db2.gz CYXBLEDYTHQCDG-WSDLNYQXSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1Cl ZINC000409261911 1070698642 /nfs/dbraw/zinc/69/86/42/1070698642.db2.gz FWTGAUWALJVGMO-WSVATBPTSA-N -1 0 692.704 5.766 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000409269194 1070703237 /nfs/dbraw/zinc/70/32/37/1070703237.db2.gz GVLUJYDKGOLNBT-MOSHPQCFSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1Cl ZINC000409273561 1070713169 /nfs/dbraw/zinc/71/31/69/1070713169.db2.gz ZCHVTJKTFSSSMV-MXAYSNPKSA-N -1 0 664.929 7.218 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408879745 1070792492 /nfs/dbraw/zinc/79/24/92/1070792492.db2.gz FFXGNIQQKWVKJW-DHDCSXOGSA-N -1 0 564.194 6.140 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408879784 1070791366 /nfs/dbraw/zinc/79/13/66/1070791366.db2.gz FMHGVRPEMNSOMF-SRZZPIQSSA-N -1 0 557.803 5.898 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408879623 1070791980 /nfs/dbraw/zinc/79/19/80/1070791980.db2.gz HFNSLJFPGAYRIH-GZTJUZNOSA-N -1 0 590.257 6.400 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1Cl ZINC000408880837 1070785744 /nfs/dbraw/zinc/78/57/44/1070785744.db2.gz IRMTYNZIHKXVJT-DEDYPNTBSA-N -1 0 530.205 6.013 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000408880917 1070786443 /nfs/dbraw/zinc/78/64/43/1070786443.db2.gz KKWSDNYRZYESQB-NDENLUEZSA-N -1 0 600.384 5.247 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408880687 1070786930 /nfs/dbraw/zinc/78/69/30/1070786930.db2.gz IABTXZSOJLTDLH-FYJGNVAPSA-N -1 0 551.368 5.022 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408880727 1070787080 /nfs/dbraw/zinc/78/70/80/1070787080.db2.gz KPDIQRNGIFTCGW-LPYMAVHISA-N -1 0 521.367 5.017 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408880538 1070787617 /nfs/dbraw/zinc/78/76/17/1070787617.db2.gz JPENMRDFLWJEIO-BKUYFWCQSA-N -1 0 614.867 6.163 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408879131 1070796227 /nfs/dbraw/zinc/79/62/27/1070796227.db2.gz COIVYFBZJWHJGP-FYJGNVAPSA-N -1 0 538.959 5.522 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408879297 1070796342 /nfs/dbraw/zinc/79/63/42/1070796342.db2.gz DUVIXPOTSKTUIE-CIAFOILYSA-N -1 0 614.867 6.217 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408878219 1070801166 /nfs/dbraw/zinc/80/11/66/1070801166.db2.gz YJNKFHJQGPUEQS-CIAFOILYSA-N -1 0 553.840 5.931 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408878971 1070797625 /nfs/dbraw/zinc/79/76/25/1070797625.db2.gz CASPAMKRSCNPJB-WOJGMQOQSA-N -1 0 527.758 5.054 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408878962 1070797664 /nfs/dbraw/zinc/79/76/64/1070797664.db2.gz DJXBLFRNKMKMAB-CIAFOILYSA-N -1 0 567.411 5.849 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408878655 1070798792 /nfs/dbraw/zinc/79/87/92/1070798792.db2.gz BESBDIDTBYUBFH-RQZCQDPDSA-N -1 0 519.743 6.031 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408878403 1070800001 /nfs/dbraw/zinc/80/00/01/1070800001.db2.gz AKSXMIRKEJMJQU-JVWAILMASA-N -1 0 615.455 6.433 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408878192 1070800580 /nfs/dbraw/zinc/80/05/80/1070800580.db2.gz XWHQZVYOCOUOSU-YDZHTSKRSA-N -1 0 506.961 5.752 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408877959 1070804081 /nfs/dbraw/zinc/80/40/81/1070804081.db2.gz YXNMFFRLLDYTJE-ZVHZXABRSA-N -1 0 561.476 6.339 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408889073 1070810501 /nfs/dbraw/zinc/81/05/01/1070810501.db2.gz DGGPFLUOFZENOB-BKUYFWCQSA-N -1 0 521.436 5.476 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408888712 1070812470 /nfs/dbraw/zinc/81/24/70/1070812470.db2.gz ZMVOIWYUVUQVBG-VCHYOVAHSA-N -1 0 712.132 6.070 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Br ZINC000408887642 1070818257 /nfs/dbraw/zinc/81/82/57/1070818257.db2.gz SCGSRWIPIBQLPO-CPNJWEJPSA-N -1 0 521.367 5.012 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408887365 1070820178 /nfs/dbraw/zinc/82/01/78/1070820178.db2.gz QBXQFXSPTBFGPE-UDWIEESQSA-N -1 0 522.960 5.740 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408897236 1070823905 /nfs/dbraw/zinc/82/39/05/1070823905.db2.gz INIGNZMWTITGBJ-HAHDFKILSA-N -1 0 534.996 5.773 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408897195 1070824296 /nfs/dbraw/zinc/82/42/96/1070824296.db2.gz IDUQOQWJDCTQOA-MYYYXRDXSA-N -1 0 585.454 6.473 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408896764 1070828801 /nfs/dbraw/zinc/82/88/01/1070828801.db2.gz HVYICTLIBIJMPT-JLPGSUDCSA-N -1 0 539.415 6.418 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408896619 1070829509 /nfs/dbraw/zinc/82/95/09/1070829509.db2.gz GOTBEHBGOGPIPN-CEUNXORHSA-N -1 0 550.611 6.273 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408896077 1070838102 /nfs/dbraw/zinc/83/81/02/1070838102.db2.gz MRGXDCQOCNOXME-DJKKODMXSA-N -1 0 651.284 6.469 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408896644 1070830500 /nfs/dbraw/zinc/83/05/00/1070830500.db2.gz GUBZDOKNIYYPQK-UQQQWYQISA-N -1 0 559.575 5.418 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408896026 1070836778 /nfs/dbraw/zinc/83/67/78/1070836778.db2.gz JDRQHAFACHTPKE-BKUYFWCQSA-N -1 0 584.264 6.074 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408895696 1070841524 /nfs/dbraw/zinc/84/15/24/1070841524.db2.gz IHYHJDSYNYWMLH-GRSHGNNSSA-N -1 0 679.159 6.537 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408895305 1070846927 /nfs/dbraw/zinc/84/69/27/1070846927.db2.gz DWFJDMZJJLAWKJ-DIBXZPPDSA-N -1 0 538.575 6.403 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408895775 1070842408 /nfs/dbraw/zinc/84/24/08/1070842408.db2.gz IQNAFIUEVXARHS-JAIQZWGSSA-N -1 0 614.836 5.963 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408895282 1070846970 /nfs/dbraw/zinc/84/69/70/1070846970.db2.gz DOYIERMWNWJYMM-ONUIUJJFSA-N -1 0 528.605 5.736 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408895475 1070845315 /nfs/dbraw/zinc/84/53/15/1070845315.db2.gz KSRHNZBBQKCFIG-HZHRSRAPSA-N -1 0 500.913 5.878 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409333697 1070839315 /nfs/dbraw/zinc/83/93/15/1070839315.db2.gz VFZIPXHGGQBWAY-BKUYFWCQSA-N -1 0 514.625 5.411 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408894653 1070851180 /nfs/dbraw/zinc/85/11/80/1070851180.db2.gz KBIWEDLTMNJTAC-UCQKPKSFSA-N -1 0 577.475 6.272 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408894923 1070851463 /nfs/dbraw/zinc/85/14/63/1070851463.db2.gz JUDSCWIGCJRXEH-VCHYOVAHSA-N -1 0 529.351 5.695 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S)c1cccs1 ZINC000409343140 1070851530 /nfs/dbraw/zinc/85/15/30/1070851530.db2.gz DONSWDWZTFYTOK-GIJQJNRQSA-N -1 0 630.445 6.776 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408893564 1070863471 /nfs/dbraw/zinc/86/34/71/1070863471.db2.gz BDJXHUZVCNBOJK-ZDLGFXPLSA-N -1 0 590.257 6.318 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408894226 1070856436 /nfs/dbraw/zinc/85/64/36/1070856436.db2.gz BRKDEULMYGYHNP-ODLFYWEKSA-N -1 0 664.328 5.271 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408894253 1070856738 /nfs/dbraw/zinc/85/67/38/1070856738.db2.gz BVIKIGZBBASSRZ-UQQQWYQISA-N -1 0 514.578 5.428 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408894218 1070856911 /nfs/dbraw/zinc/85/69/11/1070856911.db2.gz BRGBGBPQVCXQFR-ONUIUJJFSA-N -1 0 541.003 6.527 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)C1=O ZINC000408893674 1070860872 /nfs/dbraw/zinc/86/08/72/1070860872.db2.gz CLZWGSWCTHGFGZ-NDENLUEZSA-N -1 0 604.682 6.419 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000408893676 1070861493 /nfs/dbraw/zinc/86/14/93/1070861493.db2.gz CMAHLLWIMDGWTL-NDENLUEZSA-N -1 0 661.290 6.006 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408893406 1070864912 /nfs/dbraw/zinc/86/49/12/1070864912.db2.gz ACWUBHMJWAOYIG-ULJHMMPZSA-N -1 0 500.551 5.120 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)SC2=S)cc1Cl ZINC000409348305 1070865585 /nfs/dbraw/zinc/86/55/85/1070865585.db2.gz SBQNDOLSKCSBBP-VXLYETTFSA-N -1 0 506.388 6.366 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408893478 1070865846 /nfs/dbraw/zinc/86/58/46/1070865846.db2.gz ATGMURQPXKRKPE-JCMHNJIXSA-N -1 0 525.388 6.028 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408892342 1070871671 /nfs/dbraw/zinc/87/16/71/1070871671.db2.gz APRWBAZCXBATJY-BUVRLJJBSA-N -1 0 511.465 5.133 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408893243 1070866377 /nfs/dbraw/zinc/86/63/77/1070866377.db2.gz DFNGLRPXMUHROF-YBFXNURJSA-N -1 0 663.262 5.403 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S)c1cccs1 ZINC000409352220 1070870561 /nfs/dbraw/zinc/87/05/61/1070870561.db2.gz WTBFHCALOVSKNM-ODLFYWEKSA-N -1 0 549.468 5.775 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408892655 1070871282 /nfs/dbraw/zinc/87/12/82/1070871282.db2.gz BPFXDONWKZQCTI-RGVLZGJSSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1F ZINC000408892008 1070875329 /nfs/dbraw/zinc/87/53/29/1070875329.db2.gz XEHBVUFBGQEUMO-BOPFTXTBSA-N -1 0 604.347 5.214 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccccc2Br)c1 ZINC000408890771 1070880998 /nfs/dbraw/zinc/88/09/98/1070880998.db2.gz YXQPIJCARFBKNQ-FYJGNVAPSA-N -1 0 535.394 5.320 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408891415 1070878377 /nfs/dbraw/zinc/87/83/77/1070878377.db2.gz QHALXRHMCUOQGV-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408891134 1070881266 /nfs/dbraw/zinc/88/12/66/1070881266.db2.gz MCSOOKHCBOZNQG-FYJGNVAPSA-N -1 0 567.367 5.010 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408891180 1070879068 /nfs/dbraw/zinc/87/90/68/1070879068.db2.gz MQRTZFVRVPQAGE-CIAFOILYSA-N -1 0 522.960 5.740 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000408891081 1070880349 /nfs/dbraw/zinc/88/03/49/1070880349.db2.gz LATODJPFCDKMBJ-YZSQISJMSA-N -1 0 556.977 6.304 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408890600 1070882044 /nfs/dbraw/zinc/88/20/44/1070882044.db2.gz WHDSELDYQXQGTA-UDWIEESQSA-N -1 0 630.289 5.864 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408890657 1070882567 /nfs/dbraw/zinc/88/25/67/1070882567.db2.gz XFWIALUDPLTZPY-KGENOOAVSA-N -1 0 567.367 5.010 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409366074 1070882925 /nfs/dbraw/zinc/88/29/25/1070882925.db2.gz XVFFRMYYWTVUQF-UUYOSTAYSA-N -1 0 565.985 5.179 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408890246 1070884849 /nfs/dbraw/zinc/88/48/49/1070884849.db2.gz QGNSHWAMWSVHLG-KOEQRZSOSA-N -1 0 540.597 5.199 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408889982 1070884914 /nfs/dbraw/zinc/88/49/14/1070884914.db2.gz MDDJVIHYJQSBKP-RQZCQDPDSA-N -1 0 671.702 6.896 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408890036 1070885112 /nfs/dbraw/zinc/88/51/12/1070885112.db2.gz MXCVWRDNSOZOPB-LDADJPATSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000408890068 1070885641 /nfs/dbraw/zinc/88/56/41/1070885641.db2.gz NFPMSDLDISMFBH-HYARGMPZSA-N -1 0 519.395 5.620 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408889862 1070885823 /nfs/dbraw/zinc/88/58/23/1070885823.db2.gz KAWUVYIVXBDZRL-CIAFOILYSA-N -1 0 508.933 5.432 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408889261 1070889897 /nfs/dbraw/zinc/88/98/97/1070889897.db2.gz BGYLUVTXEVOYRI-ZVHZXABRSA-N -1 0 621.484 5.887 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408889934 1070886817 /nfs/dbraw/zinc/88/68/17/1070886817.db2.gz LJFKBYIQBVVTGO-LDADJPATSA-N -1 0 619.877 5.244 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408889397 1070888186 /nfs/dbraw/zinc/88/81/86/1070888186.db2.gz GCTMFLRLOGFOBK-PDGQHHTCSA-N -1 0 572.278 5.622 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408889195 1070890675 /nfs/dbraw/zinc/89/06/75/1070890675.db2.gz FMFXVBSNCPDSAE-UDWIEESQSA-N -1 0 567.411 5.849 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408897270 1070890921 /nfs/dbraw/zinc/89/09/21/1070890921.db2.gz IRSAGGRKEXKBLQ-KQWNVCNZSA-N -1 0 567.411 6.013 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409374807 1070898411 /nfs/dbraw/zinc/89/84/11/1070898411.db2.gz ZTJXTMIYGVXLJR-VCHYOVAHSA-N -1 0 559.800 5.335 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408902887 1070908035 /nfs/dbraw/zinc/90/80/35/1070908035.db2.gz MYYOAVWWFCIQMU-VCHYOVAHSA-N -1 0 577.660 5.939 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408902611 1070910676 /nfs/dbraw/zinc/91/06/76/1070910676.db2.gz LADZADQCZXOLPV-KOEQRZSOSA-N -1 0 582.657 6.092 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409389166 1070911616 /nfs/dbraw/zinc/91/16/16/1070911616.db2.gz ZODXSQHQFBLRMB-FYJGNVAPSA-N -1 0 646.934 6.316 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409398843 1070912489 /nfs/dbraw/zinc/91/24/89/1070912489.db2.gz DMUFNSZSMRFITO-YBEGLDIGSA-N -1 0 627.116 6.567 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1cccc2ccccc21 ZINC000409399663 1070914279 /nfs/dbraw/zinc/91/42/79/1070914279.db2.gz LMTMCPSUQDQFLK-UCQKPKSFSA-N -1 0 533.809 6.296 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc4ccccc43)ccc3ccccc32)C1=O ZINC000408901666 1070916394 /nfs/dbraw/zinc/91/63/94/1070916394.db2.gz ZNFPMMCSKCNZNL-VEILYXNESA-N -1 0 591.461 7.309 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OS(=O)(=O)c4ccc(C)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408901512 1070918206 /nfs/dbraw/zinc/91/82/06/1070918206.db2.gz YIWJOISRSMVZBB-RRAHZORUSA-N -1 0 584.650 5.761 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408901544 1070918672 /nfs/dbraw/zinc/91/86/72/1070918672.db2.gz YQVWZUGIRIXWMW-HAHDFKILSA-N -1 0 627.919 6.926 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408901105 1070924264 /nfs/dbraw/zinc/92/42/64/1070924264.db2.gz VQECDADJNRJVFD-PKAZHMFMSA-N -1 0 599.083 7.235 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408901098 1070924392 /nfs/dbraw/zinc/92/43/92/1070924392.db2.gz VLUGMCFDELBBLJ-NDENLUEZSA-N -1 0 600.263 5.774 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408901145 1070925176 /nfs/dbraw/zinc/92/51/76/1070925176.db2.gz WHLFNCQFSHZGAF-OYKKKHCWSA-N -1 0 593.474 6.109 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408901169 1070925256 /nfs/dbraw/zinc/92/52/56/1070925256.db2.gz WNQRIYMYJKFVSV-UUYOSTAYSA-N -1 0 689.344 6.623 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)ccc1Br ZINC000408901182 1070925943 /nfs/dbraw/zinc/92/59/43/1070925943.db2.gz WSYIKPIDKRXDRA-UNOMPAQXSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408900822 1070927115 /nfs/dbraw/zinc/92/71/15/1070927115.db2.gz XRPOABXMIGIBHA-LFVJCYFKSA-N -1 0 510.977 6.355 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000409409477 1070927059 /nfs/dbraw/zinc/92/70/59/1070927059.db2.gz VNJRCINKKHNKTQ-YBFXNURJSA-N -1 0 558.226 5.261 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)cc3)C2=O)cc1 ZINC000408900804 1070927180 /nfs/dbraw/zinc/92/71/80/1070927180.db2.gz VENZYLKGJZFPSU-USHMODERSA-N -1 0 520.585 6.182 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408900805 1070927377 /nfs/dbraw/zinc/92/73/77/1070927377.db2.gz VESFKTJVLWJQTG-USHMODERSA-N -1 0 550.611 6.273 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408900462 1070934472 /nfs/dbraw/zinc/93/44/72/1070934472.db2.gz STHYLJSGTUIFKG-ODLFYWEKSA-N -1 0 648.735 6.818 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408900512 1070930912 /nfs/dbraw/zinc/93/09/12/1070930912.db2.gz TZKZYJXAKJAGMD-XKZIYDEJSA-N -1 0 599.865 6.145 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)c1 ZINC000408900772 1070930931 /nfs/dbraw/zinc/93/09/31/1070930931.db2.gz UTUWXEVJOZRGDT-PCLIKHOPSA-N -1 0 510.977 6.355 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)cc2)C1=O ZINC000408900404 1070933999 /nfs/dbraw/zinc/93/39/99/1070933999.db2.gz SKBVDIRWVBERDL-MOSHPQCFSA-N -1 0 570.237 5.765 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408900362 1070933182 /nfs/dbraw/zinc/93/31/82/1070933182.db2.gz SDFDZERNXWQEAC-JLPGSUDCSA-N -1 0 579.447 5.882 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408900150 1070937872 /nfs/dbraw/zinc/93/78/72/1070937872.db2.gz SZDFHCMRELMURU-LFVJCYFKSA-N -1 0 561.015 5.544 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)C1=O ZINC000408900142 1070938032 /nfs/dbraw/zinc/93/80/32/1070938032.db2.gz XGKPQNQDVCYIKQ-NDENLUEZSA-N -1 0 543.776 5.795 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408900472 1070934630 /nfs/dbraw/zinc/93/46/30/1070934630.db2.gz SVRCNXIVNOMNBA-BKUYFWCQSA-N -1 0 583.410 5.631 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408900016 1070940099 /nfs/dbraw/zinc/94/00/99/1070940099.db2.gz QZIZXRHXJYSDRJ-XYGWBWBKSA-N -1 0 607.501 6.581 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408899436 1070946501 /nfs/dbraw/zinc/94/65/01/1070946501.db2.gz PESBDTNVLGVXFN-KGENOOAVSA-N -1 0 555.812 5.747 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408899763 1070940953 /nfs/dbraw/zinc/94/09/53/1070940953.db2.gz QFUHKXPXUKBZKM-ZDLGFXPLSA-N -1 0 573.802 5.804 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408899793 1070941773 /nfs/dbraw/zinc/94/17/73/1070941773.db2.gz QJGNRGHQQPKLSF-QRVIBDJDSA-N -1 0 549.421 5.628 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408899632 1070942274 /nfs/dbraw/zinc/94/22/74/1070942274.db2.gz POZLSGWTZJQQPP-NDENLUEZSA-N -1 0 725.355 5.503 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408899741 1070943033 /nfs/dbraw/zinc/94/30/33/1070943033.db2.gz VOEPYBIIXQBCNO-BKUYFWCQSA-N -1 0 535.394 5.320 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408899742 1070943131 /nfs/dbraw/zinc/94/31/31/1070943131.db2.gz QRARSOXSEJGBFG-LZYBPNLTSA-N -1 0 655.126 6.772 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408899752 1070943632 /nfs/dbraw/zinc/94/36/32/1070943632.db2.gz QFGCPUFLQWCVRP-HAHDFKILSA-N -1 0 534.996 5.773 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408899311 1070948597 /nfs/dbraw/zinc/94/85/97/1070948597.db2.gz OHOKKLSNZCPOAM-GRSHGNNSSA-N -1 0 665.253 5.755 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408898899 1070949832 /nfs/dbraw/zinc/94/98/32/1070949832.db2.gz NCYMNZCGJHNULJ-QRVIBDJDSA-N -1 0 664.350 7.236 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408898950 1070950430 /nfs/dbraw/zinc/95/04/30/1070950430.db2.gz NJBJAOJQBBLKCQ-XYGWBWBKSA-N -1 0 518.541 5.259 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408898991 1070951521 /nfs/dbraw/zinc/95/15/21/1070951521.db2.gz NTLDXZMKVJHXOS-HAHDFKILSA-N -1 0 719.370 6.877 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408898409 1070958398 /nfs/dbraw/zinc/95/83/98/1070958398.db2.gz MCHUBNAXGDUJPR-IWIPYMOSSA-N -1 0 593.474 6.190 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408898853 1070953383 /nfs/dbraw/zinc/95/33/83/1070953383.db2.gz XYKLHIDUJOUOST-VCHYOVAHSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408898720 1070955443 /nfs/dbraw/zinc/95/54/43/1070955443.db2.gz MNYLRJYZLMMWCW-YBFXNURJSA-N -1 0 527.360 5.343 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408898482 1070956104 /nfs/dbraw/zinc/95/61/04/1070956104.db2.gz WFEDIVNBEYVLLF-RGVLZGJSSA-N -1 0 529.807 6.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408898213 1070958868 /nfs/dbraw/zinc/95/88/68/1070958868.db2.gz VUEGGSLBJHJFJG-LQKURTRISA-N -1 0 597.067 6.790 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408898322 1070956740 /nfs/dbraw/zinc/95/67/40/1070956740.db2.gz KZFSEBVNTKBAPY-QNGOZBTKSA-N -1 0 525.388 6.028 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898352 1070957485 /nfs/dbraw/zinc/95/74/85/1070957485.db2.gz LMEMFUUKLBXEPM-IWIPYMOSSA-N -1 0 674.919 6.768 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898356 1070957520 /nfs/dbraw/zinc/95/75/20/1070957520.db2.gz LPIBWEWOXUQFIY-XYGWBWBKSA-N -1 0 607.501 6.581 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000408898037 1070960839 /nfs/dbraw/zinc/96/08/39/1070960839.db2.gz KTPIFAOPGMHYEL-HMAPJEAMSA-N -1 0 525.388 6.028 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408898015 1070960872 /nfs/dbraw/zinc/96/08/72/1070960872.db2.gz KLSXNQCBMYNIBT-ODLFYWEKSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408898014 1070960952 /nfs/dbraw/zinc/96/09/52/1070960952.db2.gz KLSXCQMUQPNZAT-USHMODERSA-N -1 0 613.508 7.335 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408897292 1070967608 /nfs/dbraw/zinc/96/76/08/1070967608.db2.gz ITKGZZRNLQBHSB-QQXSKIMKSA-N -1 0 621.528 6.889 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3)C2=O)cc1 ZINC000408897363 1070968302 /nfs/dbraw/zinc/96/83/02/1070968302.db2.gz JAMCXIHFKMATGX-UQQQWYQISA-N -1 0 500.551 5.120 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408897335 1070968326 /nfs/dbraw/zinc/96/83/26/1070968326.db2.gz IXPKMPWTOWQUSP-IWIPYMOSSA-N -1 0 549.023 6.081 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408897374 1070969067 /nfs/dbraw/zinc/96/90/67/1070969067.db2.gz JCBDQQJXFAWRLT-UCQKPKSFSA-N -1 0 660.892 6.378 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408914744 1071011862 /nfs/dbraw/zinc/01/18/62/1071011862.db2.gz YUTILRDLFMMPEJ-OQLLNIDSSA-N -1 0 568.301 6.640 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408913684 1071016408 /nfs/dbraw/zinc/01/64/08/1071016408.db2.gz MYIFIXFZHNVLLK-GIJQJNRQSA-N -1 0 516.754 5.316 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(C)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408912416 1071024001 /nfs/dbraw/zinc/02/40/01/1071024001.db2.gz QRBIMYSIWOZEFZ-XDHOZWIPSA-N -1 0 527.465 5.895 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408911894 1071026852 /nfs/dbraw/zinc/02/68/52/1071026852.db2.gz OUPVNCJUILMWKZ-BUVRLJJBSA-N -1 0 511.465 5.133 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408934097 1071200496 /nfs/dbraw/zinc/20/04/96/1071200496.db2.gz CKRCPOJHFXTAHL-MFOYZWKCSA-N -1 0 641.799 6.905 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408934140 1071201135 /nfs/dbraw/zinc/20/11/35/1071201135.db2.gz CNWLMZGUUFFFEX-FYJGNVAPSA-N -1 0 566.364 5.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408937175 1071202347 /nfs/dbraw/zinc/20/23/47/1071202347.db2.gz MVVAZRJLNOIFSI-AFUMVMLFSA-N -1 0 712.899 6.917 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408937155 1071202508 /nfs/dbraw/zinc/20/25/08/1071202508.db2.gz MLFCMXDQVPLVQR-WPWMEQJKSA-N -1 0 601.030 6.702 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000208698943 1071213077 /nfs/dbraw/zinc/21/30/77/1071213077.db2.gz HLHLAVGUWVLLMW-ODLFYWEKSA-N -1 0 518.194 5.796 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408936007 1071215977 /nfs/dbraw/zinc/21/59/77/1071215977.db2.gz JMJNEVCNVPWJNN-RGVLZGJSSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408935889 1071217762 /nfs/dbraw/zinc/21/77/62/1071217762.db2.gz IQMBNODMEYHERA-PXNMLYILSA-N -1 0 627.772 6.514 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935902 1071217839 /nfs/dbraw/zinc/21/78/39/1071217839.db2.gz ITJTXYNLRYGZHC-MFOYZWKCSA-N -1 0 673.847 5.872 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2Br)cc1 ZINC000408935476 1071223486 /nfs/dbraw/zinc/22/34/86/1071223486.db2.gz HGZBFGNFUIEYHE-AFUMVMLFSA-N -1 0 716.393 7.077 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Br)cc1 ZINC000408935083 1071229063 /nfs/dbraw/zinc/22/90/63/1071229063.db2.gz GLXYAVLSNOKIAA-WGOQTCKBSA-N -1 0 681.948 6.424 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000408934572 1071233026 /nfs/dbraw/zinc/23/30/26/1071233026.db2.gz FCZJREIUHCZVEP-UCQKPKSFSA-N -1 0 517.368 6.392 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1O ZINC000408934547 1071233048 /nfs/dbraw/zinc/23/30/48/1071233048.db2.gz DYWNECYVYOPXDZ-YBFXNURJSA-N -1 0 618.811 5.294 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408933853 1071238109 /nfs/dbraw/zinc/23/81/09/1071238109.db2.gz BTBIYXRWFXUVSO-MFKUBSTISA-N -1 0 652.328 7.580 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408933855 1071238264 /nfs/dbraw/zinc/23/82/64/1071238264.db2.gz BTSDWBSPPGZEKU-SXGWCWSVSA-N -1 0 614.201 7.020 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408933851 1071238368 /nfs/dbraw/zinc/23/83/68/1071238368.db2.gz BSYVMYFRSAKNEZ-CVKSISIWSA-N -1 0 635.475 7.356 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C2=O)c(OC)c1 ZINC000408933309 1071243677 /nfs/dbraw/zinc/24/36/77/1071243677.db2.gz AMXRKEKZFKZNBB-CXUHLZMHSA-N -1 0 563.813 5.530 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408942614 1071261730 /nfs/dbraw/zinc/26/17/30/1071261730.db2.gz ZQQRRJTTZOQIAN-YZSQISJMSA-N -1 0 601.030 6.702 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1 ZINC000408942656 1071262372 /nfs/dbraw/zinc/26/23/72/1071262372.db2.gz ZWOIYYYRSBGCKQ-XKZIYDEJSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408946547 1071269176 /nfs/dbraw/zinc/26/91/76/1071269176.db2.gz ANLCVJBYRKHESE-GIJQJNRQSA-N -1 0 599.821 5.475 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408946427 1071270368 /nfs/dbraw/zinc/27/03/68/1071270368.db2.gz AANWCRLNDRRQTB-IPPBACCNSA-N -1 0 698.614 6.918 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408946446 1071270625 /nfs/dbraw/zinc/27/06/25/1071270625.db2.gz AENZLOGYWLQIEX-XODNFHPESA-N -1 0 686.559 7.079 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C2=O)c(OCC)c1 ZINC000408944611 1071283818 /nfs/dbraw/zinc/28/38/18/1071283818.db2.gz MZZVEYCYKIHFNA-WOJGMQOQSA-N -1 0 591.867 6.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408943412 1071293879 /nfs/dbraw/zinc/29/38/79/1071293879.db2.gz SDCLVSCFSAZNQZ-CIAFOILYSA-N -1 0 535.940 5.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408943045 1071295439 /nfs/dbraw/zinc/29/54/39/1071295439.db2.gz RMMNAYACDNBZPM-BUVRLJJBSA-N -1 0 527.920 5.647 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000408942305 1071300535 /nfs/dbraw/zinc/30/05/35/1071300535.db2.gz YZCORPGIDKBMMM-MOSHPQCFSA-N -1 0 511.759 5.348 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000408942228 1071302222 /nfs/dbraw/zinc/30/22/22/1071302222.db2.gz YGTAFLIVIPYJBD-IMRQLAEWSA-N -1 0 538.987 6.164 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2Br)cc1 ZINC000408941510 1071308930 /nfs/dbraw/zinc/30/89/30/1071308930.db2.gz WTVBMFVFJPEYJJ-YVLHZVERSA-N -1 0 643.821 5.864 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408941538 1071306883 /nfs/dbraw/zinc/30/68/83/1071306883.db2.gz WXFCSJRHKWTKEK-MTJSOVHGSA-N -1 0 511.759 5.348 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408940963 1071312261 /nfs/dbraw/zinc/31/22/61/1071312261.db2.gz VYNLJPYJCIMBBU-SXGWCWSVSA-N -1 0 569.750 6.911 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408940833 1071313763 /nfs/dbraw/zinc/31/37/63/1071313763.db2.gz VHBXZLTVWJXYGS-XDHOZWIPSA-N -1 0 527.758 5.054 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408940374 1071316510 /nfs/dbraw/zinc/31/65/10/1071316510.db2.gz NWKGIUGPRTVEGG-RGVLZGJSSA-N -1 0 584.354 5.141 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408940152 1071318846 /nfs/dbraw/zinc/31/88/46/1071318846.db2.gz NODSCAQNEPMOPU-VXLYETTFSA-N -1 0 542.331 5.156 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408939365 1071323661 /nfs/dbraw/zinc/32/36/61/1071323661.db2.gz RWVOLOASIGHRQL-JCMHNJIXSA-N -1 0 614.985 6.255 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408939353 1071323684 /nfs/dbraw/zinc/32/36/84/1071323684.db2.gz RTMFEVVIZNZIJD-GIJQJNRQSA-N -1 0 569.750 6.911 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408939423 1071324125 /nfs/dbraw/zinc/32/41/25/1071324125.db2.gz SKYOSFHTWQKTGP-NVMNQCDNSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408938661 1071328731 /nfs/dbraw/zinc/32/87/31/1071328731.db2.gz QWPZGAWEIXYAAT-RGVLZGJSSA-N -1 0 512.305 5.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408938686 1071329218 /nfs/dbraw/zinc/32/92/18/1071329218.db2.gz RDPITMMNXRAQSM-MFKUBSTISA-N -1 0 726.926 7.307 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1cccc(F)c1 ZINC000408937743 1071336543 /nfs/dbraw/zinc/33/65/43/1071336543.db2.gz OJRVJWUYPWHBNI-ODLFYWEKSA-N -1 0 562.903 6.142 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408937709 1071339511 /nfs/dbraw/zinc/33/95/11/1071339511.db2.gz OFGFFNMEZHPXFL-VULFUBBASA-N -1 0 760.446 7.476 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408951662 1071349279 /nfs/dbraw/zinc/34/92/79/1071349279.db2.gz MHGYNQHPHOCQAZ-XODNFHPESA-N -1 0 702.577 6.749 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408952429 1071345770 /nfs/dbraw/zinc/34/57/70/1071345770.db2.gz NUMZDZKSWQRTTL-UVHMKAGCSA-N -1 0 676.007 7.824 40 10 KKCBRM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000408951770 1071348980 /nfs/dbraw/zinc/34/89/80/1071348980.db2.gz MPBLEMJLUNPZHW-MUFRIFMGSA-N -1 0 519.645 6.228 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408952391 1071345924 /nfs/dbraw/zinc/34/59/24/1071345924.db2.gz NOMHESMWGMHNKF-OKCVXOCRSA-N -1 0 611.138 7.452 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000408952449 1071346520 /nfs/dbraw/zinc/34/65/20/1071346520.db2.gz NVYGQHBCOXWZPH-RPPGKUMJSA-N -1 0 619.520 7.846 40 10 KKCBRM CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408951119 1071352799 /nfs/dbraw/zinc/35/27/99/1071352799.db2.gz LKMCLASIYWOJLX-STBIYBPSSA-N -1 0 534.660 5.678 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408951103 1071352953 /nfs/dbraw/zinc/35/29/53/1071352953.db2.gz LFORAJHMHVOOQH-IPPBACCNSA-N -1 0 629.128 7.591 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408950416 1071357030 /nfs/dbraw/zinc/35/70/30/1071357030.db2.gz JYPSUACXNVEWLP-WCMJOSRZSA-N -1 0 547.699 6.845 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)c1 ZINC000408948830 1071362658 /nfs/dbraw/zinc/36/26/58/1071362658.db2.gz HBTBZHHSZJFXIW-KBVAKVRCSA-N -1 0 546.667 6.708 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408948784 1071364109 /nfs/dbraw/zinc/36/41/09/1071364109.db2.gz GRRZJWHAFLAXTO-SSDVNMTOSA-N -1 0 556.958 5.476 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408948782 1071364423 /nfs/dbraw/zinc/36/44/23/1071364423.db2.gz GRGWKNQSZVWXFT-YDZHTSKRSA-N -1 0 571.383 5.576 40 10 KKCBRM COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408947923 1071369177 /nfs/dbraw/zinc/36/91/77/1071369177.db2.gz DPYRPCLPTCSFRC-JFLMPSFJSA-N -1 0 550.611 5.867 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408947588 1071370451 /nfs/dbraw/zinc/37/04/51/1071370451.db2.gz CPANUHZDKWZERO-DPNNOFEESA-N -1 0 661.596 8.316 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408956888 1071374125 /nfs/dbraw/zinc/37/41/25/1071374125.db2.gz ZDLVKGBFVVAKHX-IPPBACCNSA-N -1 0 645.541 6.833 40 10 KKCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C(C)C ZINC000408956959 1071374619 /nfs/dbraw/zinc/37/46/19/1071374619.db2.gz ZJOYUCGBGCJGLG-MZJWZYIUSA-N -1 0 512.650 6.261 40 10 KKCBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956811 1071376162 /nfs/dbraw/zinc/37/61/62/1071376162.db2.gz YOJRLHLGMJVLMH-LSHDLFTRSA-N -1 0 565.464 5.601 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408955924 1071381958 /nfs/dbraw/zinc/38/19/58/1071381958.db2.gz VGIGJFNYAKCUQQ-IPPBACCNSA-N -1 0 655.589 7.479 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408955156 1071386903 /nfs/dbraw/zinc/38/69/03/1071386903.db2.gz SYPWADSATKKONR-OEAKJJBVSA-N -1 0 571.383 5.576 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408955137 1071387071 /nfs/dbraw/zinc/38/70/71/1071387071.db2.gz SRCBGHXQQXPNGD-UVHMKAGCSA-N -1 0 615.101 7.201 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408953938 1071392463 /nfs/dbraw/zinc/39/24/63/1071392463.db2.gz QPNBJUHKOSQIHV-GIJQJNRQSA-N -1 0 599.821 5.475 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408692866 1071393280 /nfs/dbraw/zinc/39/32/80/1071393280.db2.gz XGGPAWUFZXEMKC-YBFXNURJSA-N -1 0 503.382 5.376 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408692704 1071393766 /nfs/dbraw/zinc/39/37/66/1071393766.db2.gz SLLSQXQTAJOJLT-GIJQJNRQSA-N -1 0 537.827 6.029 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408961827 1071405464 /nfs/dbraw/zinc/40/54/64/1071405464.db2.gz OHTOZULATACMOK-CXUHLZMHSA-N -1 0 521.751 5.652 40 10 KKCBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000408967269 1071407001 /nfs/dbraw/zinc/40/70/01/1071407001.db2.gz PRJPKXQBKCPZJH-KGENOOAVSA-N -1 0 522.468 5.559 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c(OC)c1 ZINC000408964831 1071416326 /nfs/dbraw/zinc/41/63/26/1071416326.db2.gz FDKPQLHGMQXIFS-HZHRSRAPSA-N -1 0 501.583 5.075 40 10 KKCBRM COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2Cl)c1 ZINC000408971204 1071453057 /nfs/dbraw/zinc/45/30/57/1071453057.db2.gz HGTYZKKCWWHANJ-MTJSOVHGSA-N -1 0 541.387 5.435 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408970951 1071453976 /nfs/dbraw/zinc/45/39/76/1071453976.db2.gz BJNXSAPXUDPPLP-ODLFYWEKSA-N -1 0 530.886 5.974 40 10 KKCBRM Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000408970010 1071456679 /nfs/dbraw/zinc/45/66/79/1071456679.db2.gz YNDPUKBJFJLCBD-HAHDFKILSA-N -1 0 526.035 6.210 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c(Br)c1 ZINC000408968452 1071462254 /nfs/dbraw/zinc/46/22/54/1071462254.db2.gz YYDWGIBAJQCKEC-GDNBJRDFSA-N -1 0 519.779 5.641 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408968181 1071462995 /nfs/dbraw/zinc/46/29/95/1071462995.db2.gz WZMVYUVGBAKTLS-USHMODERSA-N -1 0 650.131 7.612 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c2C)c1 ZINC000408968167 1071463028 /nfs/dbraw/zinc/46/30/28/1071463028.db2.gz UNPVHWMUFWEWOT-HYARGMPZSA-N -1 0 550.409 5.008 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408968169 1071463073 /nfs/dbraw/zinc/46/30/73/1071463073.db2.gz WXCXEZUBNFDSQW-LZYBPNLTSA-N -1 0 550.812 5.620 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1Cl ZINC000408986829 1071486003 /nfs/dbraw/zinc/48/60/03/1071486003.db2.gz NIVMYNLNSMOCQT-TURZUDJPSA-N -1 0 558.037 7.440 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000408986556 1071489474 /nfs/dbraw/zinc/48/94/74/1071489474.db2.gz MYPGLENJESZJRZ-FMQZQXMHSA-N -1 0 673.572 7.726 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408986133 1071493089 /nfs/dbraw/zinc/49/30/89/1071493089.db2.gz ZSNXIBNDTLPDTP-XKZIYDEJSA-N -1 0 675.317 6.260 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccccc4F)cc3Br)C2=O)cc1 ZINC000408985758 1071496272 /nfs/dbraw/zinc/49/62/72/1071496272.db2.gz YMMQSQRIZFLLBF-NDENLUEZSA-N -1 0 553.384 5.405 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1Cl ZINC000408985691 1071497735 /nfs/dbraw/zinc/49/77/35/1071497735.db2.gz XSBXWHMIUDCKCS-LSCVHKIXSA-N -1 0 716.672 6.242 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408985686 1071497754 /nfs/dbraw/zinc/49/77/54/1071497754.db2.gz XQHDSOMVJOCLTG-JMIUGGIZSA-N -1 0 648.735 6.818 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408985532 1071499280 /nfs/dbraw/zinc/49/92/80/1071499280.db2.gz XFTPOHVZSUUALO-OCKHKDLRSA-N -1 0 728.708 6.112 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408985129 1071503210 /nfs/dbraw/zinc/50/32/10/1071503210.db2.gz VPLMBVYHEMYNEU-JMIUGGIZSA-N -1 0 569.839 5.973 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(I)c3)C2=O)cc1 ZINC000408985265 1071502637 /nfs/dbraw/zinc/50/26/37/1071502637.db2.gz WBXGUQRHTFFJOC-JAIQZWGSSA-N -1 0 649.254 6.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1Cl ZINC000408984892 1071503909 /nfs/dbraw/zinc/50/39/09/1071503909.db2.gz UCIJLTXWNGKLME-LSCVHKIXSA-N -1 0 669.672 6.400 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408984916 1071504636 /nfs/dbraw/zinc/50/46/36/1071504636.db2.gz UHGGKPKLBQAHFF-XKZIYDEJSA-N -1 0 630.866 6.151 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408984647 1071506817 /nfs/dbraw/zinc/50/68/17/1071506817.db2.gz SIABCJLKGUARDJ-JMIUGGIZSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408984671 1071507527 /nfs/dbraw/zinc/50/75/27/1071507527.db2.gz SKUSHDXRGDKUKP-GRSHGNNSSA-N -1 0 634.829 6.036 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408984150 1071510336 /nfs/dbraw/zinc/51/03/36/1071510336.db2.gz PVCIVNCTTCXPNL-JMIUGGIZSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408983956 1071513798 /nfs/dbraw/zinc/51/37/98/1071513798.db2.gz OVTGKXDTFBZKPG-JMIUGGIZSA-N -1 0 534.952 5.021 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1Cl ZINC000408983472 1071516531 /nfs/dbraw/zinc/51/65/31/1071516531.db2.gz MIOUTBRWDDNFOE-LSCVHKIXSA-N -1 0 696.679 6.169 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408725652 1071519409 /nfs/dbraw/zinc/51/94/09/1071519409.db2.gz LZXKRUSXIWLOJQ-MTJSOVHGSA-N -1 0 541.387 5.646 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408982564 1071524357 /nfs/dbraw/zinc/52/43/57/1071524357.db2.gz HVPKJIMKXWCVOE-JMIUGGIZSA-N -1 0 648.735 6.818 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)cc1Cl ZINC000408982560 1071524446 /nfs/dbraw/zinc/52/44/46/1071524446.db2.gz HRRBBUBOWZVEIK-SOFYXZRVSA-N -1 0 720.572 7.568 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1Cl ZINC000408982511 1071526073 /nfs/dbraw/zinc/52/60/73/1071526073.db2.gz HLUDUMVTWHRSKT-LSCVHKIXSA-N -1 0 733.127 6.756 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408983058 1071520942 /nfs/dbraw/zinc/52/09/42/1071520942.db2.gz JXWSKXUUYUYIFM-JMIUGGIZSA-N -1 0 614.836 5.963 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408724966 1071522999 /nfs/dbraw/zinc/52/29/99/1071522999.db2.gz FPAVOUDIHXRKGA-JLPGSUDCSA-N -1 0 500.551 5.038 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1Cl ZINC000408982978 1071523117 /nfs/dbraw/zinc/52/31/17/1071523117.db2.gz JIHGMDVQSVQHKU-LSCVHKIXSA-N -1 0 777.578 6.866 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408982297 1071526559 /nfs/dbraw/zinc/52/65/59/1071526559.db2.gz GIYMQSLCMRGCNK-OCKHKDLRSA-N -1 0 681.708 6.270 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C2=O)cc1Cl ZINC000408982209 1071529459 /nfs/dbraw/zinc/52/94/59/1071529459.db2.gz CSDIXABCYPHKSW-MTDXEUNCSA-N -1 0 636.933 8.202 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408981903 1071530868 /nfs/dbraw/zinc/53/08/68/1071530868.db2.gz DOHZUZIUSWBCAN-BKUYFWCQSA-N -1 0 630.866 6.151 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408722904 1071531598 /nfs/dbraw/zinc/53/15/98/1071531598.db2.gz OCEMKLXUACLSRW-FSJBWODESA-N -1 0 654.913 6.517 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408981648 1071533530 /nfs/dbraw/zinc/53/35/30/1071533530.db2.gz CDXJSFJUDRPQRH-MTJSOVHGSA-N -1 0 535.940 5.065 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722301 1071534467 /nfs/dbraw/zinc/53/44/67/1071534467.db2.gz GSQUMNMIQBHCLL-DJKKODMXSA-N -1 0 687.770 7.060 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408981506 1071534892 /nfs/dbraw/zinc/53/48/92/1071534892.db2.gz BKVDLIXOCFXCRM-IMRQLAEWSA-N -1 0 520.585 6.046 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(I)c3)C2=O)cc1 ZINC000408981320 1071535762 /nfs/dbraw/zinc/53/57/62/1071535762.db2.gz AGYALDBKHWMKLI-MTJSOVHGSA-N -1 0 692.291 6.012 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408995247 1071553145 /nfs/dbraw/zinc/55/31/45/1071553145.db2.gz BBSIHNUFTXNRMZ-MHWRWJLKSA-N -1 0 519.829 5.678 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408994327 1071559381 /nfs/dbraw/zinc/55/93/81/1071559381.db2.gz YMNQIJQHPCJNTR-STZFKDTASA-N -1 0 539.813 5.910 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1Cl ZINC000408993390 1071565562 /nfs/dbraw/zinc/56/55/62/1071565562.db2.gz WKISPJWNABSKDO-ODLFYWEKSA-N -1 0 543.776 5.795 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)[N-]C2=S)cc1 ZINC000408991985 1071576647 /nfs/dbraw/zinc/57/66/47/1071576647.db2.gz PNMJQELBGXVQLZ-LFIBNONCSA-N -1 0 522.589 5.088 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991454 1071579632 /nfs/dbraw/zinc/57/96/32/1071579632.db2.gz OGLKSJJJWALMLX-KDYRRFBVSA-N -1 0 697.820 6.483 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991010 1071583554 /nfs/dbraw/zinc/58/35/54/1071583554.db2.gz MHOCNLGJEATNQG-HZHRSRAPSA-N -1 0 651.751 6.748 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5cc(C)cc(C)c5)C4=O)o3)sc2c1 ZINC000408990743 1071585943 /nfs/dbraw/zinc/58/59/43/1071585943.db2.gz LQEGNJKJMUYXAI-XDHOZWIPSA-N -1 0 535.672 5.887 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000408990000 1071591981 /nfs/dbraw/zinc/59/19/81/1071591981.db2.gz UWFUSRVVQCQHCU-CYGYJLBOSA-N -1 0 603.700 5.041 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408739521 1071603271 /nfs/dbraw/zinc/60/32/71/1071603271.db2.gz CKRGCLPHJDLPJJ-TWKHWXDSSA-N -1 0 632.141 7.473 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408739244 1071605005 /nfs/dbraw/zinc/60/50/05/1071605005.db2.gz AIFZIMXIPAUAAQ-DFKUXCBWSA-N -1 0 611.723 7.128 40 10 KKCBRM O=C1C(=Cc2cc(Br)c([O-])c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408738495 1071608918 /nfs/dbraw/zinc/60/89/18/1071608918.db2.gz ZTMAPZDYZSZZGS-UHFFFAOYSA-N -1 0 589.183 5.343 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408744334 1071616092 /nfs/dbraw/zinc/61/60/92/1071616092.db2.gz XULXDFUTYOAQQM-CEUNXORHSA-N -1 0 594.693 7.117 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408743628 1071617846 /nfs/dbraw/zinc/61/78/46/1071617846.db2.gz WKJHGMVPXAQCPT-CIAFOILYSA-N -1 0 582.432 5.166 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000408743684 1071617883 /nfs/dbraw/zinc/61/78/83/1071617883.db2.gz XANXKOLTFOYSQA-COEJQBHMSA-N -1 0 604.131 7.695 40 10 KKCBRM CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408996497 1071618110 /nfs/dbraw/zinc/61/81/10/1071618110.db2.gz IGORMUMCQQDVGA-NPRIEWAGSA-N -1 0 541.492 6.538 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c1C)CCCC2 ZINC000408743274 1071618362 /nfs/dbraw/zinc/61/83/62/1071618362.db2.gz RVXJSQKKEAZOSI-KGENOOAVSA-N -1 0 568.120 5.696 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408743426 1071618406 /nfs/dbraw/zinc/61/84/06/1071618406.db2.gz TXXFTEARCMVALA-WPWMEQJKSA-N -1 0 552.612 6.128 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742341 1071621752 /nfs/dbraw/zinc/62/17/52/1071621752.db2.gz WDQIFFRJDWLNNG-VXLYETTFSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408742338 1071621762 /nfs/dbraw/zinc/62/17/62/1071621762.db2.gz WDLVJFLMYZCTIH-KGENOOAVSA-N -1 0 521.367 5.093 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCC)cc4)C3=O)c1C)CCCC2 ZINC000408742948 1071620183 /nfs/dbraw/zinc/62/01/83/1071620183.db2.gz QTJSNLWOYIAAQB-KQWNVCNZSA-N -1 0 561.660 5.276 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408742418 1071621166 /nfs/dbraw/zinc/62/11/66/1071621166.db2.gz OVVDTRDVQMRVHX-COEJQBHMSA-N -1 0 588.063 7.530 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408741937 1071622244 /nfs/dbraw/zinc/62/22/44/1071622244.db2.gz SVRAKZSJASKWLX-MFKUBSTISA-N -1 0 648.453 6.097 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C2=O)cc1 ZINC000408740997 1071627754 /nfs/dbraw/zinc/62/77/54/1071627754.db2.gz NMHYUHRZUIDPDM-OFWBYEQRSA-N -1 0 598.615 6.785 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)c1C)CCCC2 ZINC000408741806 1071623367 /nfs/dbraw/zinc/62/33/67/1071623367.db2.gz LHHYNCQJSFHRDH-FYJGNVAPSA-N -1 0 568.120 5.696 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)C(=O)[N-]C1=S ZINC000408741789 1071623379 /nfs/dbraw/zinc/62/33/79/1071623379.db2.gz NUGULIBAANICGX-HMAPJEAMSA-N -1 0 501.405 5.895 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408741774 1071624577 /nfs/dbraw/zinc/62/45/77/1071624577.db2.gz NTKMSAVLDFWSOL-RGVLZGJSSA-N -1 0 541.398 5.007 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741239 1071626127 /nfs/dbraw/zinc/62/61/27/1071626127.db2.gz KTMSQSDOCUTZBA-UDWIEESQSA-N -1 0 571.880 5.912 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408740333 1071630252 /nfs/dbraw/zinc/63/02/52/1071630252.db2.gz BCAIUZYPHOHITK-OFWBYEQRSA-N -1 0 632.514 7.639 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408740450 1071630771 /nfs/dbraw/zinc/63/07/71/1071630771.db2.gz GCYQPZNDOQCPHP-ONUIUJJFSA-N -1 0 570.512 6.663 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408739970 1071632606 /nfs/dbraw/zinc/63/26/06/1071632606.db2.gz CCGPDMFNHLVYTA-UFWORHAWSA-N -1 0 685.221 7.327 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br ZINC000408757146 1071633187 /nfs/dbraw/zinc/63/31/87/1071633187.db2.gz XKYYEDYAWXPVOJ-NTUHNPAUSA-N -1 0 587.062 5.348 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408756931 1071635277 /nfs/dbraw/zinc/63/52/77/1071635277.db2.gz YISXUCRSMJAXDB-FYJGNVAPSA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)c1 ZINC000408756124 1071639289 /nfs/dbraw/zinc/63/92/89/1071639289.db2.gz XTHKSBONTLMGLM-UDWIEESQSA-N -1 0 584.264 6.074 40 10 KKCBRM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(/N=N/c6ccccc6)cc5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755834 1071641019 /nfs/dbraw/zinc/64/10/19/1071641019.db2.gz GBOKZPYUMRYPDZ-WRHZMTGYSA-N -1 0 570.674 6.448 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)ccc1Br ZINC000408755851 1071641462 /nfs/dbraw/zinc/64/14/62/1071641462.db2.gz NLGHUKOABRPUBE-GIJQJNRQSA-N -1 0 661.246 5.336 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408755094 1071646627 /nfs/dbraw/zinc/64/66/27/1071646627.db2.gz TXQHUKDZLCVSTA-YDZHTSKRSA-N -1 0 650.323 6.927 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C2=O)cc1 ZINC000409000943 1071647099 /nfs/dbraw/zinc/64/70/99/1071647099.db2.gz ZCYRMNRRFXHZIW-WOJGMQOQSA-N -1 0 699.179 7.171 40 10 KKCBRM O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2[O-])sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754746 1071650499 /nfs/dbraw/zinc/65/04/99/1071650499.db2.gz HXSRXWBZUFWASV-LXOSGRFASA-N -1 0 540.648 6.440 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)ccc1Br ZINC000408753493 1071656859 /nfs/dbraw/zinc/65/68/59/1071656859.db2.gz JDPORKWWYDARSW-PCLIKHOPSA-N -1 0 541.401 6.156 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408753516 1071656956 /nfs/dbraw/zinc/65/69/56/1071656956.db2.gz JIOKPWHPTFAAEG-JVWAILMASA-N -1 0 663.366 7.173 40 10 KKCBRM O=C([O-])c1ccc(COc2c(I)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408999591 1071654697 /nfs/dbraw/zinc/65/46/97/1071654697.db2.gz WYRFHPJLQIVOCE-UHFFFAOYSA-N -1 0 786.385 6.921 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408753880 1071655636 /nfs/dbraw/zinc/65/56/36/1071655636.db2.gz KVXBKSZPHWFRJS-RGVLZGJSSA-N -1 0 614.836 5.963 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408753539 1071657551 /nfs/dbraw/zinc/65/75/51/1071657551.db2.gz NGTCHRVRVUULRM-QGMBQPNBSA-N -1 0 624.702 6.972 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Br)c3)C2=O)ccc1Br ZINC000408753106 1071660815 /nfs/dbraw/zinc/66/08/15/1071660815.db2.gz HTCSZGWTJVPYIX-GIJQJNRQSA-N -1 0 622.672 6.558 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408752619 1071663248 /nfs/dbraw/zinc/66/32/48/1071663248.db2.gz FKBWRDRJAWQRCC-RGVLZGJSSA-N -1 0 614.836 5.963 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408997386 1071664823 /nfs/dbraw/zinc/66/48/23/1071664823.db2.gz OCGXYDDUELYSPR-CTVOUCONSA-N -1 0 550.702 5.825 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408997423 1071664908 /nfs/dbraw/zinc/66/49/08/1071664908.db2.gz OMVCDGYCMTWZIG-YBFXNURJSA-N -1 0 593.204 5.843 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408752201 1071666062 /nfs/dbraw/zinc/66/60/62/1071666062.db2.gz GKUBJUMSGZONMP-YBFXNURJSA-N -1 0 662.234 5.516 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408751959 1071667877 /nfs/dbraw/zinc/66/78/77/1071667877.db2.gz FCGBOFCLQHXEQT-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)c1 ZINC000409012359 1071684173 /nfs/dbraw/zinc/68/41/73/1071684173.db2.gz JLHHOLJSIMKYNX-GZTJUZNOSA-N -1 0 515.816 5.811 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)ccc1Br ZINC000408760662 1071695712 /nfs/dbraw/zinc/69/57/12/1071695712.db2.gz CNKFXDCDRMCLQO-RQZCQDPDSA-N -1 0 683.578 7.181 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408760428 1071697378 /nfs/dbraw/zinc/69/73/78/1071697378.db2.gz YNCDXKYDDOOARP-VCHYOVAHSA-N -1 0 575.232 5.733 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408760058 1071698604 /nfs/dbraw/zinc/69/86/04/1071698604.db2.gz QTHRUXGOSMEMCD-RGVLZGJSSA-N -1 0 661.290 5.925 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408759473 1071700397 /nfs/dbraw/zinc/70/03/97/1071700397.db2.gz FQISQAIUEYUUKC-MYYYXRDXSA-N -1 0 636.608 6.653 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408759633 1071700484 /nfs/dbraw/zinc/70/04/84/1071700484.db2.gz IIEHNWRQDFCNQL-GIJQJNRQSA-N -1 0 788.130 6.120 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408759224 1071702025 /nfs/dbraw/zinc/70/20/25/1071702025.db2.gz AAJXYDQQPXFPCO-RGVLZGJSSA-N -1 0 648.735 6.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408758611 1071704462 /nfs/dbraw/zinc/70/44/62/1071704462.db2.gz NTMFDYQAFXOGCU-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408758547 1071705153 /nfs/dbraw/zinc/70/51/53/1071705153.db2.gz MGTCYIBQWAWLAB-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM Cc1nn(-c2cccc3ccccc32)c(C)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408757722 1071709754 /nfs/dbraw/zinc/70/97/54/1071709754.db2.gz PJTOUIWCNCYDGZ-HYARGMPZSA-N -1 0 529.394 5.380 40 10 KKCBRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4[O-])c(=O)n31)c1ccccc1CC2 ZINC000408757883 1071708875 /nfs/dbraw/zinc/70/88/75/1071708875.db2.gz ROBUSBDVXRXNTG-FBBBDQANSA-N -1 0 570.674 6.448 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409024550 1071711806 /nfs/dbraw/zinc/71/18/06/1071711806.db2.gz DKMXWDKGIGFJLB-VXLYETTFSA-N -1 0 590.655 6.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408766379 1071714415 /nfs/dbraw/zinc/71/44/15/1071714415.db2.gz CXHBRTMBHXWNSV-HZHRSRAPSA-N -1 0 536.440 6.407 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(I)c3)C2=O)ccc1Br ZINC000408766354 1071714465 /nfs/dbraw/zinc/71/44/65/1071714465.db2.gz UPKMPEMQQUXSNA-YBFXNURJSA-N -1 0 651.682 6.261 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408766414 1071714568 /nfs/dbraw/zinc/71/45/68/1071714568.db2.gz QFKFDIWISKWOBM-VXLYETTFSA-N -1 0 634.708 6.427 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408766793 1071717294 /nfs/dbraw/zinc/71/72/94/1071717294.db2.gz GJJBHXOGMSFEEZ-SRZZPIQSSA-N -1 0 614.290 6.082 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Br)c3)C2=O)ccc1Br ZINC000408766054 1071721158 /nfs/dbraw/zinc/72/11/58/1071721158.db2.gz YXWRECDRHMXARZ-RQZCQDPDSA-N -1 0 622.672 6.558 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408766883 1071717741 /nfs/dbraw/zinc/71/77/41/1071717741.db2.gz UDKPRKQZYNTWMN-WGOQTCKBSA-N -1 0 618.915 7.064 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1Br ZINC000408766878 1071717796 /nfs/dbraw/zinc/71/77/96/1071717796.db2.gz TZYFYPQCTRJMSI-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408766745 1071719021 /nfs/dbraw/zinc/71/90/21/1071719021.db2.gz FXNVKUFVHNWJGZ-BUVRLJJBSA-N -1 0 655.401 7.574 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408766513 1071719531 /nfs/dbraw/zinc/71/95/31/1071719531.db2.gz VBXBERGNDJKJMI-YDZHTSKRSA-N -1 0 697.323 6.769 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)ccc1Br ZINC000408765792 1071722893 /nfs/dbraw/zinc/72/28/93/1071722893.db2.gz QIAXHNJSZFMPNP-GIJQJNRQSA-N -1 0 822.029 6.975 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408764964 1071726558 /nfs/dbraw/zinc/72/65/58/1071726558.db2.gz UMQOTHUJZFRCED-VCHYOVAHSA-N -1 0 547.236 6.138 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Cl)c1 ZINC000408763333 1071732670 /nfs/dbraw/zinc/73/26/70/1071732670.db2.gz PCSSWQPJSXUGKZ-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408763549 1071731453 /nfs/dbraw/zinc/73/14/53/1071731453.db2.gz PQIXJEAWTLVUFA-MYYYXRDXSA-N -1 0 617.521 6.420 40 10 KKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408762091 1071736835 /nfs/dbraw/zinc/73/68/35/1071736835.db2.gz COQOIFRSDLKHJG-DEDYPNTBSA-N -1 0 526.184 5.744 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408762191 1071737179 /nfs/dbraw/zinc/73/71/79/1071737179.db2.gz DESFHRIDNDHZDD-FYJGNVAPSA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C2=O)ccc1Br ZINC000408761996 1071737590 /nfs/dbraw/zinc/73/75/90/1071737590.db2.gz IWFSGBTWLDXTNE-FYJGNVAPSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)ccc1Br ZINC000408762817 1071734179 /nfs/dbraw/zinc/73/41/79/1071734179.db2.gz MIMKXGNUVOFLJX-GIJQJNRQSA-N -1 0 730.578 7.023 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408762713 1071734648 /nfs/dbraw/zinc/73/46/48/1071734648.db2.gz FVHHGYQCKOLKPE-RGVLZGJSSA-N -1 0 528.859 5.650 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408777155 1071745601 /nfs/dbraw/zinc/74/56/01/1071745601.db2.gz VYMYIWINMXHYQH-XQNSMLJCSA-N -1 0 501.995 5.753 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408777169 1071745676 /nfs/dbraw/zinc/74/56/76/1071745676.db2.gz WABFAXXLDFLXDD-CAOOACKPSA-N -1 0 644.227 7.029 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c1C)CCCC2 ZINC000408777019 1071746559 /nfs/dbraw/zinc/74/65/59/1071746559.db2.gz UQHUDNNZXGWKGA-DEDYPNTBSA-N -1 0 596.503 5.558 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(I)c3)C2=O)cc1 ZINC000408776640 1071748989 /nfs/dbraw/zinc/74/89/89/1071748989.db2.gz YACYMEUYQWQAOL-XDHOZWIPSA-N -1 0 572.786 5.498 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408776138 1071750896 /nfs/dbraw/zinc/75/08/96/1071750896.db2.gz UKVWSTRSWIAKRR-SRZZPIQSSA-N -1 0 580.391 5.228 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408775696 1071753495 /nfs/dbraw/zinc/75/34/95/1071753495.db2.gz IZZHQUOTDMNMIM-OEAKJJBVSA-N -1 0 504.970 5.601 40 10 KKCBRM O=C([O-])c1cccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000408775751 1071753550 /nfs/dbraw/zinc/75/35/50/1071753550.db2.gz RTSFCGNIZOMODM-UHFFFAOYSA-N -1 0 534.593 5.712 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408775638 1071754513 /nfs/dbraw/zinc/75/45/13/1071754513.db2.gz JJAOSIPPEOTFEB-YBFXNURJSA-N -1 0 541.785 5.357 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408775409 1071755212 /nfs/dbraw/zinc/75/52/12/1071755212.db2.gz PWNFTEUZIMAXIQ-ZMOGYAJESA-N -1 0 646.410 6.132 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408774968 1071757498 /nfs/dbraw/zinc/75/74/98/1071757498.db2.gz ZFLKLSBMTSGMOO-CAOOACKPSA-N -1 0 727.733 5.978 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408774322 1071762877 /nfs/dbraw/zinc/76/28/77/1071762877.db2.gz UVYLOPQNGFXGPG-VXLYETTFSA-N -1 0 667.681 5.961 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408774681 1071759514 /nfs/dbraw/zinc/75/95/14/1071759514.db2.gz QCPOXFIRRBWJGW-VXLYETTFSA-N -1 0 667.681 5.961 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4c(Cl)cccc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408774734 1071759544 /nfs/dbraw/zinc/75/95/44/1071759544.db2.gz XSEBJCAQSOVDPR-VGOFMYFVSA-N -1 0 670.727 6.681 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)c2ccccc12 ZINC000408773897 1071765763 /nfs/dbraw/zinc/76/57/63/1071765763.db2.gz JXYSERJDNFAJCG-HYARGMPZSA-N -1 0 550.920 6.757 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408773217 1071768709 /nfs/dbraw/zinc/76/87/09/1071768709.db2.gz PZUUGGRFXLZTOF-CVKSISIWSA-N -1 0 599.481 6.863 40 10 KKCBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000408772564 1071773500 /nfs/dbraw/zinc/77/35/00/1071773500.db2.gz NDMMRXISJOTWGU-LPYMAVHISA-N -1 0 519.623 5.232 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408772545 1071773518 /nfs/dbraw/zinc/77/35/18/1071773518.db2.gz MXDRXLBFMKDKOW-YDZHTSKRSA-N -1 0 563.448 6.018 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408772648 1071772325 /nfs/dbraw/zinc/77/23/25/1071772325.db2.gz GNGYTCAWWCURIA-RGVLZGJSSA-N -1 0 600.263 5.774 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772715 1071772428 /nfs/dbraw/zinc/77/24/28/1071772428.db2.gz FJFZKBJYSYPNBB-FYJGNVAPSA-N -1 0 598.462 5.327 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408772113 1071776755 /nfs/dbraw/zinc/77/67/55/1071776755.db2.gz DBENUTNUPIYEON-AFUMVMLFSA-N -1 0 639.333 7.409 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2I)c1 ZINC000408771983 1071777257 /nfs/dbraw/zinc/77/72/57/1071777257.db2.gz JKBBFXGNBIDAAQ-LPYMAVHISA-N -1 0 566.395 5.462 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 ZINC000408771989 1071777270 /nfs/dbraw/zinc/77/72/70/1071777270.db2.gz MCWHJUAWVXOQKT-KEBDBYFISA-N -1 0 540.359 5.764 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000408771084 1071783303 /nfs/dbraw/zinc/78/33/03/1071783303.db2.gz FHTWHKWFBCYZDL-MTDXEUNCSA-N -1 0 598.497 6.664 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408770772 1071784376 /nfs/dbraw/zinc/78/43/76/1071784376.db2.gz ACGPTKOBRJJIRA-VCHYOVAHSA-N -1 0 609.782 6.375 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408770741 1071784465 /nfs/dbraw/zinc/78/44/65/1071784465.db2.gz BSYJFFZWCKOXKO-VCHYOVAHSA-N -1 0 606.775 5.338 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Br ZINC000408767603 1071809338 /nfs/dbraw/zinc/80/93/38/1071809338.db2.gz YXJREOLITADTNY-LPYMAVHISA-N -1 0 559.376 5.335 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408781654 1071815074 /nfs/dbraw/zinc/81/50/74/1071815074.db2.gz DWQXVYLUSFBRCN-AFUMVMLFSA-N -1 0 541.003 6.364 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408781790 1071816169 /nfs/dbraw/zinc/81/61/69/1071816169.db2.gz DTUCLLPDWJMJPZ-RGVLZGJSSA-N -1 0 602.812 5.507 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408781563 1071816790 /nfs/dbraw/zinc/81/67/90/1071816790.db2.gz ULNNWRRXZKRLEO-KEBDBYFISA-N -1 0 651.284 6.551 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408781443 1071818025 /nfs/dbraw/zinc/81/80/25/1071818025.db2.gz AIOFWRBCMKGEKA-ZVHZXABRSA-N -1 0 605.872 6.900 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408781470 1071818187 /nfs/dbraw/zinc/81/81/87/1071818187.db2.gz SPJINPDBQUIHJH-CAOOACKPSA-N -1 0 680.733 6.136 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OC ZINC000408780355 1071824046 /nfs/dbraw/zinc/82/40/46/1071824046.db2.gz XRUOJRUGXKMJDR-WUXMJOGZSA-N -1 0 547.711 5.195 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409047101 1071826285 /nfs/dbraw/zinc/82/62/85/1071826285.db2.gz NAVKYRLPWHIJLL-XDHOZWIPSA-N -1 0 612.864 5.494 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409047125 1071826434 /nfs/dbraw/zinc/82/64/34/1071826434.db2.gz MUBLDQNJDPIVFX-VIZOYTHASA-N -1 0 659.545 7.417 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408779551 1071829561 /nfs/dbraw/zinc/82/95/61/1071829561.db2.gz YIJKNJZPMCBDNH-ZVHZXABRSA-N -1 0 618.427 6.007 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408779696 1071828159 /nfs/dbraw/zinc/82/81/59/1071828159.db2.gz IBJKXSZMMVZZNV-RGVLZGJSSA-N -1 0 647.263 5.616 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(I)cc3)C2=O)c1 ZINC000408780431 1071824988 /nfs/dbraw/zinc/82/49/88/1071824988.db2.gz YGZUVHSRNALAJZ-HYARGMPZSA-N -1 0 552.368 5.153 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1 ZINC000409046358 1071832118 /nfs/dbraw/zinc/83/21/18/1071832118.db2.gz KEGOEUFODKSUIH-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409045831 1071838396 /nfs/dbraw/zinc/83/83/96/1071838396.db2.gz ITCQQVRCDZUQNR-YZSQISJMSA-N -1 0 626.463 5.712 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408778194 1071838881 /nfs/dbraw/zinc/83/88/81/1071838881.db2.gz QRJKSZPBVDJBNB-VXLYETTFSA-N -1 0 531.779 5.901 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409045683 1071839522 /nfs/dbraw/zinc/83/95/22/1071839522.db2.gz HCGNMAGTGDEFDP-UDWIEESQSA-N -1 0 570.237 5.765 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000409045101 1071843294 /nfs/dbraw/zinc/84/32/94/1071843294.db2.gz FCGXQKWKNRNKBM-RQZCQDPDSA-N -1 0 622.672 6.558 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408777270 1071844073 /nfs/dbraw/zinc/84/40/73/1071844073.db2.gz XJVUXLWKQZUPSG-RDRPBHBLSA-N -1 0 614.565 6.829 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)cc1 ZINC000408777546 1071844157 /nfs/dbraw/zinc/84/41/57/1071844157.db2.gz BRXCYPPKWAZTMU-VCHYOVAHSA-N -1 0 698.682 6.103 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000409045018 1071844762 /nfs/dbraw/zinc/84/47/62/1071844762.db2.gz XLCUONLEBSCYBJ-RQZCQDPDSA-N -1 0 622.672 6.558 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)c1 ZINC000408787224 1071845316 /nfs/dbraw/zinc/84/53/16/1071845316.db2.gz VCZVEPDOGWWFKK-KEBDBYFISA-N -1 0 574.258 6.618 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409044523 1071849098 /nfs/dbraw/zinc/84/90/98/1071849098.db2.gz VQUVHENHCXDNRQ-CXUHLZMHSA-N -1 0 622.672 6.558 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409044353 1071849622 /nfs/dbraw/zinc/84/96/22/1071849622.db2.gz BMXRCNGVFGZHEC-VXLYETTFSA-N -1 0 653.096 6.359 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409044396 1071849647 /nfs/dbraw/zinc/84/96/47/1071849647.db2.gz BUURPIWEZMHXAE-VCHYOVAHSA-N -1 0 503.288 5.517 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409044337 1071849727 /nfs/dbraw/zinc/84/97/27/1071849727.db2.gz BKXBPVOFYAVMDS-NTUHNPAUSA-N -1 0 577.056 5.974 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409044260 1071851872 /nfs/dbraw/zinc/85/18/72/1071851872.db2.gz UZVJOOXNODCMPL-CIAFOILYSA-N -1 0 559.427 5.353 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2Br)cc1 ZINC000408785605 1071855766 /nfs/dbraw/zinc/85/57/66/1071855766.db2.gz ICLLLFFAYBFRLF-RGVLZGJSSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408785301 1071857192 /nfs/dbraw/zinc/85/71/92/1071857192.db2.gz WEVAOAJGNXYDDV-MHWRWJLKSA-N -1 0 613.803 7.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000408785250 1071859303 /nfs/dbraw/zinc/85/93/03/1071859303.db2.gz XMVMRWHVXOBGMW-GIJQJNRQSA-N -1 0 519.743 6.031 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408784912 1071860535 /nfs/dbraw/zinc/86/05/35/1071860535.db2.gz DETFZLSDDSFQNI-OEAKJJBVSA-N -1 0 557.002 6.064 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408784731 1071861377 /nfs/dbraw/zinc/86/13/77/1071861377.db2.gz WSVGQNTYUZGACX-HZHRSRAPSA-N -1 0 520.427 5.821 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409042992 1071862624 /nfs/dbraw/zinc/86/26/24/1071862624.db2.gz OZQJTEOHHAFFET-DJKKODMXSA-N -1 0 557.302 5.055 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408784539 1071864772 /nfs/dbraw/zinc/86/47/72/1071864772.db2.gz UJDSQNPTDUTMTH-SRZZPIQSSA-N -1 0 553.384 5.459 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 ZINC000408783267 1071871095 /nfs/dbraw/zinc/87/10/95/1071871095.db2.gz NGCCINCFYGYUPF-VCHYOVAHSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408797103 1071877491 /nfs/dbraw/zinc/87/74/91/1071877491.db2.gz GCPCHAYEUDKXFE-JVWAILMASA-N -1 0 674.491 6.433 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000409041893 1071875707 /nfs/dbraw/zinc/87/57/07/1071875707.db2.gz KPONFCHQRLJFFV-UDWIEESQSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408783238 1071872256 /nfs/dbraw/zinc/87/22/56/1071872256.db2.gz LLGXTHILUGUDCW-HZHRSRAPSA-N -1 0 536.495 5.985 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(I)c3)C2=O)c1 ZINC000408783220 1071872448 /nfs/dbraw/zinc/87/24/48/1071872448.db2.gz MNDMIASPXYSKNN-ZMOGYAJESA-N -1 0 681.324 7.069 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409042066 1071874460 /nfs/dbraw/zinc/87/44/60/1071874460.db2.gz BERZAHYWABQHAM-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408794703 1071884641 /nfs/dbraw/zinc/88/46/41/1071884641.db2.gz AYYJKROYTLZJLZ-REZTVBANSA-N -1 0 576.776 5.809 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000408795432 1071882640 /nfs/dbraw/zinc/88/26/40/1071882640.db2.gz CCTILEVMPKLPIQ-PXLXIMEGSA-N -1 0 517.368 6.392 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408794726 1071884772 /nfs/dbraw/zinc/88/47/72/1071884772.db2.gz BHZXZXYKBIXYBK-OVVQPSECSA-N -1 0 564.594 5.661 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409041229 1071883910 /nfs/dbraw/zinc/88/39/10/1071883910.db2.gz JFQIICKQRVBHON-LZYBPNLTSA-N -1 0 600.263 6.043 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409041531 1071878246 /nfs/dbraw/zinc/87/82/46/1071878246.db2.gz JXNRGYBCVKYEDU-GIJQJNRQSA-N -1 0 646.204 5.273 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408796527 1071879071 /nfs/dbraw/zinc/87/90/71/1071879071.db2.gz AKOSYQXDBGEEMP-WOJGMQOQSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1 ZINC000409041248 1071880682 /nfs/dbraw/zinc/88/06/82/1071880682.db2.gz JIPXJZJEFKZFES-WOJGMQOQSA-N -1 0 589.229 5.440 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000408796075 1071881076 /nfs/dbraw/zinc/88/10/76/1071881076.db2.gz DGWYVAUNDRSCCV-VXLYETTFSA-N -1 0 570.783 5.565 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409040306 1071891948 /nfs/dbraw/zinc/89/19/48/1071891948.db2.gz GGAVCPPVEAQFFS-AFUMVMLFSA-N -1 0 680.324 7.175 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409040147 1071893139 /nfs/dbraw/zinc/89/31/39/1071893139.db2.gz FQSBYMQRXZUKAE-RQZCQDPDSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408806693 1071903638 /nfs/dbraw/zinc/90/36/38/1071903638.db2.gz BKDZXEOTJZGABB-QCFMCPCVSA-N -1 0 604.662 7.817 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O ZINC000409038764 1071904299 /nfs/dbraw/zinc/90/42/99/1071904299.db2.gz BBLXLNJBKVPFHK-GZTJUZNOSA-N -1 0 552.219 5.066 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408805866 1071905757 /nfs/dbraw/zinc/90/57/57/1071905757.db2.gz HZNZDLDRKAMJMO-DJKKODMXSA-N -1 0 561.805 5.997 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1C ZINC000408807232 1071901461 /nfs/dbraw/zinc/90/14/61/1071901461.db2.gz KSKBKQFJNLODSE-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408805711 1071906221 /nfs/dbraw/zinc/90/62/21/1071906221.db2.gz CEWOQCRSEIWSAF-LPYMAVHISA-N -1 0 518.997 5.909 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408806684 1071903011 /nfs/dbraw/zinc/90/30/11/1071903011.db2.gz BDLGMFXWCPMWKG-OGLMXYFKSA-N -1 0 579.565 5.428 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408806643 1071903251 /nfs/dbraw/zinc/90/32/51/1071903251.db2.gz FZNCPTCBUKZSAY-CIAFOILYSA-N -1 0 641.418 5.460 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408805253 1071906871 /nfs/dbraw/zinc/90/68/71/1071906871.db2.gz FKNKTFMAGLXXBB-MFKUBSTISA-N -1 0 555.030 6.754 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408805026 1071907381 /nfs/dbraw/zinc/90/73/81/1071907381.db2.gz CKLOWSKKMPHYTR-ZMOGYAJESA-N -1 0 561.421 6.791 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408805079 1071907465 /nfs/dbraw/zinc/90/74/65/1071907465.db2.gz DGGSRIYRCRWFIW-UDWIEESQSA-N -1 0 525.388 5.864 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408802995 1071909788 /nfs/dbraw/zinc/90/97/88/1071909788.db2.gz KCKRYESQUFUOFW-CIAFOILYSA-N -1 0 511.759 5.348 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408803022 1071909925 /nfs/dbraw/zinc/90/99/25/1071909925.db2.gz KKJRNBKARYMCDI-WGOQTCKBSA-N -1 0 506.558 5.711 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409047339 1071909889 /nfs/dbraw/zinc/90/98/89/1071909889.db2.gz OICQZTXEJBAITC-GIJQJNRQSA-N -1 0 601.207 5.365 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409057089 1071912303 /nfs/dbraw/zinc/91/23/03/1071912303.db2.gz OWSXMEZFPUUGRW-CIAFOILYSA-N -1 0 612.864 5.494 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409049413 1071912359 /nfs/dbraw/zinc/91/23/59/1071912359.db2.gz WROSEEZBVGFYMR-CXUHLZMHSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408802199 1071912363 /nfs/dbraw/zinc/91/23/63/1071912363.db2.gz YKZNMAGDIPRBNU-PXLXIMEGSA-N -1 0 521.367 5.093 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409047399 1071915124 /nfs/dbraw/zinc/91/51/24/1071915124.db2.gz ONAIDASHDCHDAL-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409055674 1071927273 /nfs/dbraw/zinc/92/72/73/1071927273.db2.gz PDIZJHLUILEVEU-MXAYSNPKSA-N -1 0 598.540 6.835 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409054934 1071931678 /nfs/dbraw/zinc/93/16/78/1071931678.db2.gz HHESKRNJLIBUNT-YBFXNURJSA-N -1 0 574.200 5.596 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409053946 1071935528 /nfs/dbraw/zinc/93/55/28/1071935528.db2.gz DXFQOHKKIGQDAG-XYOKQWHBSA-N -1 0 542.611 5.320 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1C ZINC000409053958 1071935597 /nfs/dbraw/zinc/93/55/97/1071935597.db2.gz FBCZCDJQDPZHAP-AFUMVMLFSA-N -1 0 634.324 7.227 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(C)C)c(Br)c2)C1=O ZINC000409053424 1071940313 /nfs/dbraw/zinc/94/03/13/1071940313.db2.gz CMBFSSYRKOQSQL-GIDUJCDVSA-N -1 0 570.665 5.875 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1 ZINC000409052839 1071943732 /nfs/dbraw/zinc/94/37/32/1071943732.db2.gz AXJDXZWKRWTUIX-YBFXNURJSA-N -1 0 620.681 6.119 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409052828 1071943912 /nfs/dbraw/zinc/94/39/12/1071943912.db2.gz AVQDYGMKQFJXBT-KEBDBYFISA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccccc2)C1=O ZINC000409050008 1071960006 /nfs/dbraw/zinc/96/00/06/1071960006.db2.gz ZJMSFICGQGLROT-CPNJWEJPSA-N -1 0 568.811 5.095 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409049852 1071961143 /nfs/dbraw/zinc/96/11/43/1071961143.db2.gz YERIQDHQWWPSLM-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000409050794 1071955750 /nfs/dbraw/zinc/95/57/50/1071955750.db2.gz ZTWBGVKIMGQZGP-CAOOACKPSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409049806 1071962994 /nfs/dbraw/zinc/96/29/94/1071962994.db2.gz XOOLBRHOXOXUJK-VXLYETTFSA-N -1 0 591.201 5.910 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409048758 1071968851 /nfs/dbraw/zinc/96/88/51/1071968851.db2.gz TYPNVLCMIYMLDV-NTEUORMPSA-N -1 0 556.638 5.629 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409048717 1071968866 /nfs/dbraw/zinc/96/88/66/1071968866.db2.gz UWWIZBLPDAFEHL-XDHOZWIPSA-N -1 0 568.413 5.384 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409048528 1071972069 /nfs/dbraw/zinc/97/20/69/1071972069.db2.gz RONMOSUDIYKZRD-VCHYOVAHSA-N -1 0 519.743 6.031 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409048206 1071973763 /nfs/dbraw/zinc/97/37/63/1071973763.db2.gz RIFKAIZDUUPTCT-MFKUBSTISA-N -1 0 637.497 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409048229 1071974349 /nfs/dbraw/zinc/97/43/49/1071974349.db2.gz RUBDPPFEZSPLAM-GIJQJNRQSA-N -1 0 501.297 5.084 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409047672 1071977228 /nfs/dbraw/zinc/97/72/28/1071977228.db2.gz PPOIFMMXSKGYSY-WSDLNYQXSA-N -1 0 598.291 6.382 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409047696 1071977798 /nfs/dbraw/zinc/97/77/98/1071977798.db2.gz PXQGEZMVXHUFEF-LICLKQGHSA-N -1 0 635.652 6.019 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1 ZINC000409057485 1071992387 /nfs/dbraw/zinc/99/23/87/1071992387.db2.gz PDUNKCBHUZVLTO-ZVHZXABRSA-N -1 0 547.394 6.401 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2)C1=O ZINC000409057557 1071992990 /nfs/dbraw/zinc/99/29/90/1071992990.db2.gz PVNMCOZHJJGFLG-WOJGMQOQSA-N -1 0 515.780 6.201 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000409067275 1071997515 /nfs/dbraw/zinc/99/75/15/1071997515.db2.gz PZXDUXJAWGXMQX-DEDYPNTBSA-N -1 0 650.301 5.044 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409065690 1072007609 /nfs/dbraw/zinc/00/76/09/1072007609.db2.gz IVIZLOBOXCOBAW-WOJGMQOQSA-N -1 0 551.791 5.081 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065756 1072008045 /nfs/dbraw/zinc/00/80/45/1072008045.db2.gz MZTMNIJCWKSLPF-WOJGMQOQSA-N -1 0 609.871 5.788 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065994 1072005457 /nfs/dbraw/zinc/00/54/57/1072005457.db2.gz OFNGGQJQTRFROD-YBFXNURJSA-N -1 0 640.295 5.589 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409063845 1072019771 /nfs/dbraw/zinc/01/97/71/1072019771.db2.gz DXSRDIKPJODWSD-CIAFOILYSA-N -1 0 589.453 5.443 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409059644 1072038331 /nfs/dbraw/zinc/03/83/31/1072038331.db2.gz VZRLZRVFUOTYSD-AFUMVMLFSA-N -1 0 696.779 7.689 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409059664 1072038438 /nfs/dbraw/zinc/03/84/38/1072038438.db2.gz WLMDQYCYMGMGSY-FYJGNVAPSA-N -1 0 525.388 6.028 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076796 1072047467 /nfs/dbraw/zinc/04/74/67/1072047467.db2.gz CHMOFJDDKKYLES-GIJQJNRQSA-N -1 0 681.361 6.302 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076685 1072049457 /nfs/dbraw/zinc/04/94/57/1072049457.db2.gz BSTGUNFSUBKHHE-LZYBPNLTSA-N -1 0 662.203 5.495 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C1=O ZINC000409076218 1072053662 /nfs/dbraw/zinc/05/36/62/1072053662.db2.gz ZUKLNIZZFOVHDX-MHWRWJLKSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409074953 1072065713 /nfs/dbraw/zinc/06/57/13/1072065713.db2.gz VOKWDWUCWKQXLU-RQZCQDPDSA-N -1 0 569.781 5.220 40 10 KKCBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000409073189 1072078039 /nfs/dbraw/zinc/07/80/39/1072078039.db2.gz PMZWFJIBUGPVAB-XYOKQWHBSA-N -1 0 528.186 5.220 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409072688 1072080669 /nfs/dbraw/zinc/08/06/69/1072080669.db2.gz KLZGIYZAWRAUHX-LICLKQGHSA-N -1 0 640.693 5.299 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409072098 1072084759 /nfs/dbraw/zinc/08/47/59/1072084759.db2.gz BEGHXUDOHSDOLL-YBFXNURJSA-N -1 0 565.818 5.389 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409071490 1072088166 /nfs/dbraw/zinc/08/81/66/1072088166.db2.gz OZBFKJXYRJZVSY-KQWNVCNZSA-N -1 0 530.411 6.734 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409071386 1072089441 /nfs/dbraw/zinc/08/94/41/1072089441.db2.gz RAXVWEYCDFRNDA-IMRQLAEWSA-N -1 0 589.025 5.353 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409070790 1072093099 /nfs/dbraw/zinc/09/30/99/1072093099.db2.gz ZHWIDWULPAXDNE-LFVJCYFKSA-N -1 0 560.437 6.646 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069856 1072098733 /nfs/dbraw/zinc/09/87/33/1072098733.db2.gz XZBJNBQSMJIPHP-YZSQISJMSA-N -1 0 623.470 6.007 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070276 1072097479 /nfs/dbraw/zinc/09/74/79/1072097479.db2.gz FGWURXOFLFDGJP-GIJQJNRQSA-N -1 0 626.268 5.199 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070055 1072097838 /nfs/dbraw/zinc/09/78/38/1072097838.db2.gz KJWGCOFDVABFTA-RGVLZGJSSA-N -1 0 666.877 5.004 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)C1=O ZINC000409070051 1072097964 /nfs/dbraw/zinc/09/79/64/1072097964.db2.gz KJRYDVURCFVIFL-GZTJUZNOSA-N -1 0 654.720 5.608 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OC(C)C ZINC000409068360 1072112755 /nfs/dbraw/zinc/11/27/55/1072112755.db2.gz SJCXABGMKSOYJI-MDWZMJQESA-N -1 0 542.213 5.608 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409068910 1072107744 /nfs/dbraw/zinc/10/77/44/1072107744.db2.gz KGFMPNZPPAHQBX-FYJGNVAPSA-N -1 0 520.441 6.136 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068812 1072109269 /nfs/dbraw/zinc/10/92/69/1072109269.db2.gz IRPRIKQXNVSNCB-XDHOZWIPSA-N -1 0 596.242 5.190 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C1=O ZINC000409068779 1072109275 /nfs/dbraw/zinc/10/92/75/1072109275.db2.gz VLWSDDSXTOIWFR-RQZCQDPDSA-N -1 0 565.818 5.389 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1C ZINC000409068545 1072109804 /nfs/dbraw/zinc/10/98/04/1072109804.db2.gz UFNBVFVVVWYRRR-UDWIEESQSA-N -1 0 545.400 5.044 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409067543 1072116414 /nfs/dbraw/zinc/11/64/14/1072116414.db2.gz RFTDRJVGPILKMH-CXUHLZMHSA-N -1 0 626.268 5.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409079928 1072126928 /nfs/dbraw/zinc/12/69/28/1072126928.db2.gz CJMPWEBGWJWIME-NTUHNPAUSA-N -1 0 577.720 5.922 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409079211 1072135821 /nfs/dbraw/zinc/13/58/21/1072135821.db2.gz ACGPUVCKKWCPDI-LDADJPATSA-N -1 0 527.411 5.081 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079252 1072136422 /nfs/dbraw/zinc/13/64/22/1072136422.db2.gz KSIIGXLEOZBYBT-CAOOACKPSA-N -1 0 642.331 5.031 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078689 1072142504 /nfs/dbraw/zinc/14/25/04/1072142504.db2.gz JGWFDZPFHGCHJM-LICLKQGHSA-N -1 0 545.401 5.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409078377 1072145846 /nfs/dbraw/zinc/14/58/46/1072145846.db2.gz BYBGMDSJAJNHQI-ITYLOYPMSA-N -1 0 504.542 5.807 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077427 1072157189 /nfs/dbraw/zinc/15/71/89/1072157189.db2.gz DRRDEFPLVJLKDB-ZVHZXABRSA-N -1 0 659.007 6.593 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409086115 1072170374 /nfs/dbraw/zinc/17/03/74/1072170374.db2.gz YMJAVWHALPCHRD-GIDUJCDVSA-N -1 0 677.174 5.395 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409086578 1072165301 /nfs/dbraw/zinc/16/53/01/1072165301.db2.gz FJRYEORHSLIMAR-NTUHNPAUSA-N -1 0 666.622 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409085637 1072174874 /nfs/dbraw/zinc/17/48/74/1072174874.db2.gz CKPOXZCVKPDBGI-VIZOYTHASA-N -1 0 648.176 5.192 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409085419 1072178853 /nfs/dbraw/zinc/17/88/53/1072178853.db2.gz OLBCDMRYZRQARS-VCHYOVAHSA-N -1 0 531.830 5.726 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409083721 1072196073 /nfs/dbraw/zinc/19/60/73/1072196073.db2.gz VOYOVSPNBQTRKS-GIDUJCDVSA-N -1 0 689.622 7.251 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409083663 1072198745 /nfs/dbraw/zinc/19/87/45/1072198745.db2.gz UEDKGYQFURDNGE-YBFXNURJSA-N -1 0 641.387 5.522 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083380 1072202068 /nfs/dbraw/zinc/20/20/68/1072202068.db2.gz SPDLPGPABIKJNL-RQZCQDPDSA-N -1 0 746.230 6.838 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409082819 1072208560 /nfs/dbraw/zinc/20/85/60/1072208560.db2.gz TXOMXCSKPCCCBR-RQZCQDPDSA-N -1 0 601.753 5.686 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082468 1072211415 /nfs/dbraw/zinc/21/14/15/1072211415.db2.gz SOBLCDZSNUQHNY-ZVHZXABRSA-N -1 0 682.007 7.703 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082248 1072215478 /nfs/dbraw/zinc/21/54/78/1072215478.db2.gz RSESRZJEPOLZOQ-OQLLNIDSSA-N -1 0 654.779 6.887 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082251 1072215487 /nfs/dbraw/zinc/21/54/87/1072215487.db2.gz INXCEGWDHRASJQ-YDZHTSKRSA-N -1 0 712.431 7.422 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409081172 1072225890 /nfs/dbraw/zinc/22/58/90/1072225890.db2.gz NBXIXZKLZADFSU-OVCLIPMQSA-N -1 0 614.747 7.341 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409097131 1072230597 /nfs/dbraw/zinc/23/05/97/1072230597.db2.gz NBJRZKXRKIYKIT-PXLXIMEGSA-N -1 0 500.023 6.040 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409081229 1072226777 /nfs/dbraw/zinc/22/67/77/1072226777.db2.gz GQZPOIPIZNHWIA-FRKPEAEDSA-N -1 0 614.747 7.341 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081234 1072226810 /nfs/dbraw/zinc/22/68/10/1072226810.db2.gz GQZZCNPIYQJUGS-CAOOACKPSA-N -1 0 645.806 6.085 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409097164 1072229227 /nfs/dbraw/zinc/22/92/27/1072229227.db2.gz LNZNRCZDSZQDSR-LICLKQGHSA-N -1 0 502.785 6.029 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409094934 1072243422 /nfs/dbraw/zinc/24/34/22/1072243422.db2.gz GKZPVJIVHLPHPQ-WOJGMQOQSA-N -1 0 514.434 5.549 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OC(C)C ZINC000409093497 1072253745 /nfs/dbraw/zinc/25/37/45/1072253745.db2.gz AAPVXDZRLNMWNI-KPKJPENVSA-N -1 0 528.186 5.218 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409326318 1072249509 /nfs/dbraw/zinc/24/95/09/1072249509.db2.gz ACRONALCPLUHOP-UDWIEESQSA-N -1 0 609.976 6.688 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409093927 1072250213 /nfs/dbraw/zinc/25/02/13/1072250213.db2.gz BRMRESHMLIAIOP-LCYFTJDESA-N -1 0 551.136 5.591 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409093429 1072252727 /nfs/dbraw/zinc/25/27/27/1072252727.db2.gz ZCDDKWTYMDNISZ-VGOFMYFVSA-N -1 0 680.649 6.449 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409092627 1072259691 /nfs/dbraw/zinc/25/96/91/1072259691.db2.gz VUMMVCFITPHZFT-ONUIUJJFSA-N -1 0 644.465 6.802 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409092276 1072264364 /nfs/dbraw/zinc/26/43/64/1072264364.db2.gz VAJCBCRAJMPQNH-VIZOYTHASA-N -1 0 677.174 5.395 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092293 1072264440 /nfs/dbraw/zinc/26/44/40/1072264440.db2.gz VGMFXZIVWNCZIO-MKMNVTDBSA-N -1 0 612.165 6.575 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409091862 1072268390 /nfs/dbraw/zinc/26/83/90/1072268390.db2.gz SRSMZFXPTWOEBG-VGOFMYFVSA-N -1 0 645.171 7.142 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091647 1072269238 /nfs/dbraw/zinc/26/92/38/1072269238.db2.gz RARKIQNDDJOMGX-RQZCQDPDSA-N -1 0 575.883 6.043 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[N-]C1=S ZINC000409101859 1072311872 /nfs/dbraw/zinc/31/18/72/1072311872.db2.gz BTWXUSGQKVDXNW-PCLIKHOPSA-N -1 0 536.056 6.636 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409097522 1072336820 /nfs/dbraw/zinc/33/68/20/1072336820.db2.gz IUZCFEYVGOSDCC-JVWAILMASA-N -1 0 602.112 6.175 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409107060 1072340696 /nfs/dbraw/zinc/34/06/96/1072340696.db2.gz PYDBJUFWFOOOHF-WSDLNYQXSA-N -1 0 604.931 7.184 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409106623 1072343084 /nfs/dbraw/zinc/34/30/84/1072343084.db2.gz OKKMRQFJBKPICV-YDZHTSKRSA-N -1 0 536.587 5.677 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000409106307 1072344874 /nfs/dbraw/zinc/34/48/74/1072344874.db2.gz KYCXRMYLPFPBRV-XYOKQWHBSA-N -1 0 528.186 5.220 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)ccc1Cl ZINC000409334367 1072347191 /nfs/dbraw/zinc/34/71/91/1072347191.db2.gz XILQHQPRKXZVIK-VCHYOVAHSA-N -1 0 520.813 6.467 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409105721 1072348573 /nfs/dbraw/zinc/34/85/73/1072348573.db2.gz OBERFRWRILDNIJ-XBUHWIKASA-N -1 0 507.837 5.420 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409104816 1072352929 /nfs/dbraw/zinc/35/29/29/1072352929.db2.gz FRZSHIWCCGGPSV-SRZZPIQSSA-N -1 0 590.904 6.794 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409104136 1072357333 /nfs/dbraw/zinc/35/73/33/1072357333.db2.gz DYVXAKOWJFXCRD-WGOQTCKBSA-N -1 0 590.532 7.120 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)ccc1Cl ZINC000409330755 1072373790 /nfs/dbraw/zinc/37/37/90/1072373790.db2.gz MHLYTLBBFWUHSA-VXLYETTFSA-N -1 0 608.797 5.578 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(O)c(C(=O)[O-])c4)C3=O)o2)cc1 ZINC000409331319 1072371231 /nfs/dbraw/zinc/37/12/31/1072371231.db2.gz APDZPTLCXWEIRO-RCCKNPSSSA-N -1 0 507.498 5.608 40 10 KKCBRM CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409330769 1072374151 /nfs/dbraw/zinc/37/41/51/1072374151.db2.gz MMKYOZLSWTXIQZ-UKWGHVSLSA-N -1 0 525.479 5.704 40 10 KKCBRM Cc1ccc(NC(=O)c2c([N-]S(=O)(=O)c3cccc4cccc(Cl)c43)sc3c2CCCC3)cc1C ZINC000409115749 1072376487 /nfs/dbraw/zinc/37/64/87/1072376487.db2.gz GZUIHNDADRBYMM-UHFFFAOYSA-N -1 0 525.095 7.103 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409329420 1072386080 /nfs/dbraw/zinc/38/60/80/1072386080.db2.gz FMUVMEXQGBCKLI-NDENLUEZSA-N -1 0 608.504 5.487 40 10 KKCBRM O=C(Nc1ccc(Cl)cc1)c1c2c(sc1[N-]S(=O)(=O)c1cccc3cccc(Cl)c31)CCCC2 ZINC000409111191 1072393537 /nfs/dbraw/zinc/39/35/37/1072393537.db2.gz BEMCTWPKYWVUNZ-UHFFFAOYSA-N -1 0 531.486 7.140 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S)c1cccs1 ZINC000409327800 1072398743 /nfs/dbraw/zinc/39/87/43/1072398743.db2.gz NEEAHALLHFVHHS-YBFXNURJSA-N -1 0 521.472 6.180 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346150 1072418070 /nfs/dbraw/zinc/41/80/70/1072418070.db2.gz NILVVQOUKUSFTC-FYJGNVAPSA-N -1 0 541.632 5.180 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409345971 1072419108 /nfs/dbraw/zinc/41/91/08/1072419108.db2.gz MAFXHRHSCQOAES-MOSHPQCFSA-N -1 0 531.080 5.925 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409346079 1072419705 /nfs/dbraw/zinc/41/97/05/1072419705.db2.gz NBBYNDXQQRJGET-WSDLNYQXSA-N -1 0 632.583 5.700 40 10 KKCBRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409121312 1072426460 /nfs/dbraw/zinc/42/64/60/1072426460.db2.gz XWZBFZBJLJIUCB-UFKHLRDRSA-N -1 0 648.785 5.371 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OC ZINC000409127133 1072447757 /nfs/dbraw/zinc/44/77/57/1072447757.db2.gz GXWUJCQYBCWPTI-FYJGNVAPSA-N -1 0 552.986 5.518 40 10 KKCBRM Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N([N-]C(=O)c4cccs4)C3=O)cc2)cc1C ZINC000409342105 1072451953 /nfs/dbraw/zinc/45/19/53/1072451953.db2.gz DHCDXQGVAHVBQN-CIAFOILYSA-N -1 0 602.557 5.691 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409124052 1072468707 /nfs/dbraw/zinc/46/87/07/1072468707.db2.gz JXEVWHWRJHVBBU-JVWAILMASA-N -1 0 720.560 6.882 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409123995 1072470294 /nfs/dbraw/zinc/47/02/94/1072470294.db2.gz JOHMWLOCMKKCEH-SRZZPIQSSA-N -1 0 692.788 6.903 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409123722 1072471929 /nfs/dbraw/zinc/47/19/29/1072471929.db2.gz DLFABWZWEOSLDX-XQNSMLJCSA-N -1 0 534.996 5.378 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)c1C)CCCC2 ZINC000409137218 1072472858 /nfs/dbraw/zinc/47/28/58/1072472858.db2.gz UUQKLGZUAFDLBI-PXLXIMEGSA-N -1 0 561.729 5.659 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409137269 1072473550 /nfs/dbraw/zinc/47/35/50/1072473550.db2.gz WIIXHXJTUXETMZ-ZXMBATIKSA-N -1 0 517.445 5.083 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409339639 1072475278 /nfs/dbraw/zinc/47/52/78/1072475278.db2.gz XMTXXFGGBOFZAB-RGVLZGJSSA-N -1 0 572.602 5.302 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1C1CCCCC1 ZINC000409339427 1072475762 /nfs/dbraw/zinc/47/57/62/1072475762.db2.gz VKISPIRNJGYJJL-JYRVWZFOSA-N -1 0 571.243 5.135 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409339249 1072477118 /nfs/dbraw/zinc/47/71/18/1072477118.db2.gz GDEGYKAZLVIJFK-UNOMPAQXSA-N -1 0 517.053 5.535 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409136157 1072479774 /nfs/dbraw/zinc/47/97/74/1072479774.db2.gz TVDVZRHTWIITLL-WGOQTCKBSA-N -1 0 708.403 7.403 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1OC ZINC000409135157 1072486662 /nfs/dbraw/zinc/48/66/62/1072486662.db2.gz VBAKQMKYGDETSX-SRZZPIQSSA-N -1 0 737.239 7.013 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OC ZINC000409135039 1072488168 /nfs/dbraw/zinc/48/81/68/1072488168.db2.gz PPFOXQRNOREFAZ-WSDLNYQXSA-N -1 0 583.012 5.526 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409133228 1072499780 /nfs/dbraw/zinc/49/97/80/1072499780.db2.gz NBTOAVVOIXJOBE-HYARGMPZSA-N -1 0 500.023 5.791 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409131346 1072509397 /nfs/dbraw/zinc/50/93/97/1072509397.db2.gz IHMQPONLPYONDL-HZHRSRAPSA-N -1 0 569.441 6.032 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1C ZINC000409131198 1072510624 /nfs/dbraw/zinc/51/06/24/1072510624.db2.gz MKKKVHFARXIKJC-BRPDVVIDSA-N -1 0 598.684 7.168 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409130699 1072514216 /nfs/dbraw/zinc/51/42/16/1072514216.db2.gz XKJIHYTVSIDUCQ-WSDLNYQXSA-N -1 0 643.918 6.150 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409352916 1072525522 /nfs/dbraw/zinc/52/55/22/1072525522.db2.gz ZNMOQBNSSSIPRA-VCHYOVAHSA-N -1 0 628.364 6.537 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000409128212 1072527514 /nfs/dbraw/zinc/52/75/14/1072527514.db2.gz HSOHBEYTIQBBME-KOEQRZSOSA-N -1 0 500.668 5.388 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409144807 1072532005 /nfs/dbraw/zinc/53/20/05/1072532005.db2.gz PFCCRNWVZHCJGS-AWQFTUOYSA-N -1 0 638.331 7.339 40 10 KKCBRM Cc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409351339 1072535029 /nfs/dbraw/zinc/53/50/29/1072535029.db2.gz TYHNQGRYSLNUQN-JMIUGGIZSA-N -1 0 503.432 6.505 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S)c1cccs1 ZINC000409351284 1072537245 /nfs/dbraw/zinc/53/72/45/1072537245.db2.gz TUUHHELKRGYERE-OEAKJJBVSA-N -1 0 537.087 6.680 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c(OCCC)cc3Br)C2=O)cc1OC ZINC000409347489 1072563906 /nfs/dbraw/zinc/56/39/06/1072563906.db2.gz PXWSAVIOLQKUNV-PDGQHHTCSA-N -1 0 561.429 5.100 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409139700 1072563954 /nfs/dbraw/zinc/56/39/54/1072563954.db2.gz DGCNJJGAIBJWGX-CIAFOILYSA-N -1 0 509.565 5.274 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409137407 1072576323 /nfs/dbraw/zinc/57/63/23/1072576323.db2.gz UYOLWOBGXNZIAO-LPYMAVHISA-N -1 0 569.441 6.032 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409366078 1072576713 /nfs/dbraw/zinc/57/67/13/1072576713.db2.gz XVPVOHHNOXEGTQ-IUXPMGMMSA-N -1 0 684.245 5.430 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000409365729 1072577688 /nfs/dbraw/zinc/57/76/88/1072577688.db2.gz WPJGSESUJLLOCU-RGVLZGJSSA-N -1 0 586.801 5.234 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409365631 1072579007 /nfs/dbraw/zinc/57/90/07/1072579007.db2.gz VEJJVBWBJMYEIV-DJKKODMXSA-N -1 0 616.827 5.243 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409365211 1072579299 /nfs/dbraw/zinc/57/92/99/1072579299.db2.gz TWJARYSGTUQCMM-OEAKJJBVSA-N -1 0 684.515 5.858 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409146432 1072581847 /nfs/dbraw/zinc/58/18/47/1072581847.db2.gz SPYMYNZEWZXKEI-BUVRLJJBSA-N -1 0 562.594 5.263 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409146120 1072583322 /nfs/dbraw/zinc/58/33/22/1072583322.db2.gz JQMZHHXYAPOVJL-CIAFOILYSA-N -1 0 583.012 5.526 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409145514 1072586405 /nfs/dbraw/zinc/58/64/05/1072586405.db2.gz QPFUPXGXIXMSFM-RGVLZGJSSA-N -1 0 742.826 6.092 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409362161 1072595402 /nfs/dbraw/zinc/59/54/02/1072595402.db2.gz FXFKGVZSVPZSCT-XKZIYDEJSA-N -1 0 670.488 5.468 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409361303 1072601386 /nfs/dbraw/zinc/60/13/86/1072601386.db2.gz CFNYVKMVZFCZKR-HYARGMPZSA-N -1 0 640.462 5.460 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361234 1072602226 /nfs/dbraw/zinc/60/22/26/1072602226.db2.gz BHVOBLIBCGOSKG-NVMNQCDNSA-N -1 0 698.272 5.820 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(OC)c(OCCC)cc3Br)C2=O)cc1OCC ZINC000409359303 1072614692 /nfs/dbraw/zinc/61/46/92/1072614692.db2.gz NUEQBLGSRJSKOW-LDADJPATSA-N -1 0 561.429 5.100 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151104 1072625474 /nfs/dbraw/zinc/62/54/74/1072625474.db2.gz GHLJNHDXPUQZRN-UDCNLSRBSA-N -1 0 589.313 8.177 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2)cc1C ZINC000409376342 1072630032 /nfs/dbraw/zinc/63/00/32/1072630032.db2.gz XGTFNIZWCXFENH-DEDYPNTBSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409374796 1072635398 /nfs/dbraw/zinc/63/53/98/1072635398.db2.gz ZLSIFKPQSJAYDU-YDZHTSKRSA-N -1 0 622.415 5.677 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409374426 1072636831 /nfs/dbraw/zinc/63/68/31/1072636831.db2.gz PFDXENBSPLIZLD-QGMBQPNBSA-N -1 0 549.794 5.880 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409374211 1072639896 /nfs/dbraw/zinc/63/98/96/1072639896.db2.gz KVGFAFWFZJHMKF-YDZHTSKRSA-N -1 0 575.415 5.835 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409373880 1072640642 /nfs/dbraw/zinc/64/06/42/1072640642.db2.gz IPHYDFRSCUYGBP-QGMBQPNBSA-N -1 0 594.245 5.989 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409372541 1072644502 /nfs/dbraw/zinc/64/45/02/1072644502.db2.gz DXSRIXUHXKFIMF-CAOOACKPSA-N -1 0 641.245 5.831 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409147698 1072646919 /nfs/dbraw/zinc/64/69/19/1072646919.db2.gz VSTNVZAWWNTDRY-OEAKJJBVSA-N -1 0 510.575 5.046 40 10 KKCBRM Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000409372175 1072647049 /nfs/dbraw/zinc/64/70/49/1072647049.db2.gz FSHJTRILJGLYTC-VULFUBBASA-N -1 0 527.640 5.869 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409371990 1072647088 /nfs/dbraw/zinc/64/70/88/1072647088.db2.gz XRIFESAZOMFKMB-LPYMAVHISA-N -1 0 521.038 5.630 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409163903 1072661677 /nfs/dbraw/zinc/66/16/77/1072661677.db2.gz ZHPDMILJERZHCC-ZENTWMBTSA-N -1 0 589.313 8.177 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409367850 1072667774 /nfs/dbraw/zinc/66/77/74/1072667774.db2.gz MPZJLKPCIRUTEW-GIJQJNRQSA-N -1 0 568.847 6.543 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409379234 1072671090 /nfs/dbraw/zinc/67/10/90/1072671090.db2.gz VYUJEQAPMUOKJZ-LPYMAVHISA-N -1 0 555.441 5.092 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409379290 1072671120 /nfs/dbraw/zinc/67/11/20/1072671120.db2.gz VTHMOKWWFQZADH-CIAFOILYSA-N -1 0 673.314 5.303 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409379348 1072671470 /nfs/dbraw/zinc/67/14/70/1072671470.db2.gz WIRUUMUABQPLQL-LPYMAVHISA-N -1 0 599.934 6.474 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409378969 1072672145 /nfs/dbraw/zinc/67/21/45/1072672145.db2.gz SZEMCVDOKMVPLC-CIAFOILYSA-N -1 0 598.837 5.103 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1OCC ZINC000409378583 1072675204 /nfs/dbraw/zinc/67/52/04/1072675204.db2.gz QJEXNFLTOLWJRR-RCCKNPSSSA-N -1 0 596.011 5.351 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409378582 1072675304 /nfs/dbraw/zinc/67/53/04/1072675304.db2.gz QEOYMHKLZBMFII-PKAZHMFMSA-N -1 0 656.489 5.721 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409378593 1072675618 /nfs/dbraw/zinc/67/56/18/1072675618.db2.gz QGUDQJVSSRZZDB-IWIPYMOSSA-N -1 0 630.028 5.751 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409377943 1072677776 /nfs/dbraw/zinc/67/77/76/1072677776.db2.gz KURNLKWLNZUCGW-KGENOOAVSA-N -1 0 521.436 5.422 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409377520 1072679553 /nfs/dbraw/zinc/67/95/53/1072679553.db2.gz HSMGYZBVUVPWCT-MOSHPQCFSA-N -1 0 598.837 5.103 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(C)cc3)C(=O)[N-]C2=S)cc1 ZINC000409377334 1072679895 /nfs/dbraw/zinc/67/98/95/1072679895.db2.gz GLJIHSBNNFPCFS-HZHRSRAPSA-N -1 0 535.463 5.730 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409383574 1072702358 /nfs/dbraw/zinc/70/23/58/1072702358.db2.gz XBWPPQWIEDZBCQ-BOPFTXTBSA-N -1 0 574.804 5.339 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c1 ZINC000409166438 1072704029 /nfs/dbraw/zinc/70/40/29/1072704029.db2.gz DJOQHVSVBGNHOM-GRSHGNNSSA-N -1 0 518.772 6.297 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409382613 1072705433 /nfs/dbraw/zinc/70/54/33/1072705433.db2.gz VHCINKVRCXUMBS-OEAKJJBVSA-N -1 0 626.516 5.971 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409382714 1072706092 /nfs/dbraw/zinc/70/60/92/1072706092.db2.gz PUXDOKTZDLMCMX-RGVLZGJSSA-N -1 0 589.928 7.018 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409382487 1072706451 /nfs/dbraw/zinc/70/64/51/1072706451.db2.gz NMQTUKJJOPYJAQ-UDWIEESQSA-N -1 0 541.456 5.975 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)C1=O ZINC000409382553 1072706924 /nfs/dbraw/zinc/70/69/24/1072706924.db2.gz SXSBFRAHCUFLGV-LICLKQGHSA-N -1 0 586.801 5.234 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409382368 1072707502 /nfs/dbraw/zinc/70/75/02/1072707502.db2.gz KSXXEMGLTMWAOY-HZHRSRAPSA-N -1 0 521.038 5.711 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409382083 1072708978 /nfs/dbraw/zinc/70/89/78/1072708978.db2.gz KGFHOWUNQZYLGR-WOJGMQOQSA-N -1 0 517.445 5.029 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1OCC ZINC000409382084 1072709018 /nfs/dbraw/zinc/70/90/18/1072709018.db2.gz XSGYKNAUNQRZJV-CJLVFECKSA-N -1 0 608.047 5.220 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)C2=O)cc1OC ZINC000409381911 1072709381 /nfs/dbraw/zinc/70/93/81/1072709381.db2.gz OUEGUVSXZPCPNO-UYRXBGFRSA-N -1 0 626.435 5.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409381943 1072709427 /nfs/dbraw/zinc/70/94/27/1072709427.db2.gz IKERLZRWTGHVRA-OEAKJJBVSA-N -1 0 535.065 6.020 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409381320 1072712179 /nfs/dbraw/zinc/71/21/79/1072712179.db2.gz LLXWRFLVNKFXAY-DEDYPNTBSA-N -1 0 626.037 5.359 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409381363 1072712243 /nfs/dbraw/zinc/71/22/43/1072712243.db2.gz SYWGJZCSRTVGIF-HYARGMPZSA-N -1 0 582.463 5.572 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409381396 1072712662 /nfs/dbraw/zinc/71/26/62/1072712662.db2.gz LZBFLZJUNYYPFW-BOPFTXTBSA-N -1 0 586.403 5.524 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409381196 1072713650 /nfs/dbraw/zinc/71/36/50/1072713650.db2.gz SDJJVXVFVKUQFN-LPYMAVHISA-N -1 0 610.486 5.729 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409380999 1072713925 /nfs/dbraw/zinc/71/39/25/1072713925.db2.gz QPVOIQYRAILUHF-CIAFOILYSA-N -1 0 677.358 6.035 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409380978 1072714092 /nfs/dbraw/zinc/71/40/92/1072714092.db2.gz QIDLUFGWDCXXAO-HYARGMPZSA-N -1 0 608.514 5.259 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381086 1072714997 /nfs/dbraw/zinc/71/49/97/1072714997.db2.gz DWCVZQJRYNXYCN-UDWIEESQSA-N -1 0 632.907 5.926 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409380922 1072715478 /nfs/dbraw/zinc/71/54/78/1072715478.db2.gz CEWWSDREZVUFLN-LPYMAVHISA-N -1 0 655.514 5.019 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409379822 1072720585 /nfs/dbraw/zinc/72/05/85/1072720585.db2.gz ZVVPILBNTBHCIE-NDENLUEZSA-N -1 0 585.907 6.084 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000409379936 1072721426 /nfs/dbraw/zinc/72/14/26/1072721426.db2.gz COXPWOFVEURIEI-CXUHLZMHSA-N -1 0 516.362 5.555 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409174057 1072724656 /nfs/dbraw/zinc/72/46/56/1072724656.db2.gz QYMFWEZBDOZPJL-KGENOOAVSA-N -1 0 501.995 5.183 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409389303 1072732948 /nfs/dbraw/zinc/73/29/48/1072732948.db2.gz XVKOQFPFBIGMRC-ONUIUJJFSA-N -1 0 700.542 6.119 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409388339 1072738037 /nfs/dbraw/zinc/73/80/37/1072738037.db2.gz UCKLEAFIRICBGY-UCQKPKSFSA-N -1 0 638.073 5.229 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409171446 1072740884 /nfs/dbraw/zinc/74/08/84/1072740884.db2.gz BMROJWIUANQPGI-OOAXWGSJSA-N -1 0 600.656 6.559 40 10 KKCBRM Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387445 1072743155 /nfs/dbraw/zinc/74/31/55/1072743155.db2.gz WQVABHZMUZJRDQ-UHFFFAOYSA-N -1 0 565.651 6.316 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000409400449 1072745671 /nfs/dbraw/zinc/74/56/71/1072745671.db2.gz RAAWTCVHCGCGDG-WQRHYEAKSA-N -1 0 571.811 5.270 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2I)c1 ZINC000409400149 1072746669 /nfs/dbraw/zinc/74/66/69/1072746669.db2.gz PJFWPRAVLHIHCA-ODLFYWEKSA-N -1 0 636.227 5.245 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000409399598 1072748779 /nfs/dbraw/zinc/74/87/79/1072748779.db2.gz KEJTXEMOPXBTAE-UYRXBGFRSA-N -1 0 572.253 5.651 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1Br ZINC000409399448 1072749572 /nfs/dbraw/zinc/74/95/72/1072749572.db2.gz IRNDCMBLTGWSPM-ODLFYWEKSA-N -1 0 573.197 5.160 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000409398836 1072750953 /nfs/dbraw/zinc/75/09/53/1072750953.db2.gz DFWYHVHIAQVHAX-YVLHZVERSA-N -1 0 528.746 5.051 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1Br ZINC000409401390 1072754017 /nfs/dbraw/zinc/75/40/17/1072754017.db2.gz XXGLMILKWYPCKO-ODLFYWEKSA-N -1 0 562.645 5.905 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168300 1072755208 /nfs/dbraw/zinc/75/52/08/1072755208.db2.gz MKXMZDVQAQDJMH-DXMSMQRWSA-N -1 0 609.731 8.522 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)o1 ZINC000409168038 1072757086 /nfs/dbraw/zinc/75/70/86/1072757086.db2.gz KVIJKYVXIVZNFA-JAIQZWGSSA-N -1 0 541.379 5.391 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186246 1072762682 /nfs/dbraw/zinc/76/26/82/1072762682.db2.gz ZJUUIPPORHXCRK-GGVRFBKHSA-N -1 0 768.471 7.153 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3[O-])o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186277 1072762782 /nfs/dbraw/zinc/76/27/82/1072762782.db2.gz ZVNWNQNBXQZULW-QTRRDAAQSA-N -1 0 674.735 6.954 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409410170 1072807001 /nfs/dbraw/zinc/80/70/01/1072807001.db2.gz ZUTOGOVXNAQRPU-IWIPYMOSSA-N -1 0 543.417 6.041 40 10 KKCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409409461 1072809990 /nfs/dbraw/zinc/80/99/90/1072809990.db2.gz VKPPJPKCRAOEQP-VXLYETTFSA-N -1 0 592.671 5.914 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409193352 1072825124 /nfs/dbraw/zinc/82/51/24/1072825124.db2.gz JLPKWXXZFYRGSY-LFVJCYFKSA-N -1 0 594.020 5.677 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1OCC ZINC000409196370 1072832113 /nfs/dbraw/zinc/83/21/13/1072832113.db2.gz ZTHXQMZHDOLYGT-XYGWBWBKSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195975 1072834530 /nfs/dbraw/zinc/83/45/30/1072834530.db2.gz XTOSPTHFNSQCAD-OEAKJJBVSA-N -1 0 583.468 6.422 40 10 KKCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000409195411 1072836383 /nfs/dbraw/zinc/83/63/83/1072836383.db2.gz IOCSBGSUNPFGCX-ODLFYWEKSA-N -1 0 500.395 6.122 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409195497 1072836630 /nfs/dbraw/zinc/83/66/30/1072836630.db2.gz VTQFNHSTOMWLGK-YDZHTSKRSA-N -1 0 613.494 6.431 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OCC ZINC000409192934 1072852241 /nfs/dbraw/zinc/85/22/41/1072852241.db2.gz HIUQRFOCSVEJKV-HZHRSRAPSA-N -1 0 647.533 5.919 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409192971 1072852280 /nfs/dbraw/zinc/85/22/80/1072852280.db2.gz GSERRSIUKMAFMO-LFVJCYFKSA-N -1 0 544.604 5.124 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409192596 1072855818 /nfs/dbraw/zinc/85/58/18/1072855818.db2.gz CSJCJNLNLOBKKC-OEAKJJBVSA-N -1 0 583.468 6.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409191876 1072859576 /nfs/dbraw/zinc/85/95/76/1072859576.db2.gz PIUJFRMTUZKOOJ-KOEQRZSOSA-N -1 0 607.501 6.186 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000409191641 1072860816 /nfs/dbraw/zinc/86/08/16/1072860816.db2.gz JXOMIHBZBIODHD-PCLIKHOPSA-N -1 0 593.474 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OCC ZINC000409191645 1072860923 /nfs/dbraw/zinc/86/09/23/1072860923.db2.gz JZXUTYOWMYINBJ-CVKSISIWSA-N -1 0 633.528 7.575 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409191531 1072861995 /nfs/dbraw/zinc/86/19/95/1072861995.db2.gz YKJVJBMIDDAFAU-WPWMEQJKSA-N -1 0 722.430 7.793 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190772 1072867180 /nfs/dbraw/zinc/86/71/80/1072867180.db2.gz QSDPNKSVDCJQGZ-ZVHZXABRSA-N -1 0 593.076 6.086 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190882 1072867692 /nfs/dbraw/zinc/86/76/92/1072867692.db2.gz AKXLBSCBNQMSKB-PCLIKHOPSA-N -1 0 558.631 5.432 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190717 1072868039 /nfs/dbraw/zinc/86/80/39/1072868039.db2.gz QAVFIDWIAPYMCZ-KOEQRZSOSA-N -1 0 558.631 5.514 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC)C2=O)cc1OCC ZINC000409190149 1072872788 /nfs/dbraw/zinc/87/27/88/1072872788.db2.gz LNRHPBFWWFJEHP-LDADJPATSA-N -1 0 521.397 5.242 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409188654 1072881904 /nfs/dbraw/zinc/88/19/04/1072881904.db2.gz JEPVPMVSLIKNOR-WSDLNYQXSA-N -1 0 662.364 7.184 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000409188424 1072882375 /nfs/dbraw/zinc/88/23/75/1072882375.db2.gz ZASJLRLFWQFAOA-HYARGMPZSA-N -1 0 538.467 5.395 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1C ZINC000409201807 1072916462 /nfs/dbraw/zinc/91/64/62/1072916462.db2.gz YHXPHEOPPMVQFY-YBFXNURJSA-N -1 0 572.506 5.153 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409217227 1072943675 /nfs/dbraw/zinc/94/36/75/1072943675.db2.gz AMAHBZZLKIHXLK-WSDLNYQXSA-N -1 0 582.440 5.693 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409226608 1072973517 /nfs/dbraw/zinc/97/35/17/1072973517.db2.gz VKQMZEICJDXHFV-OEAKJJBVSA-N 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/nfs/dbraw/zinc/98/59/30/1072985930.db2.gz HKTPLPQDJCVMAV-JVWAILMASA-N -1 0 704.961 6.764 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409224021 1072985946 /nfs/dbraw/zinc/98/59/46/1072985946.db2.gz IHULDASOUXIDJZ-RGVLZGJSSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409223863 1072986299 /nfs/dbraw/zinc/98/62/99/1072986299.db2.gz GCZAWRIAJHTWHO-XNTDXEJSSA-N -1 0 536.234 6.156 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222528 1072993336 /nfs/dbraw/zinc/99/33/36/1072993336.db2.gz DTVZWIXGVTXZGJ-JVWAILMASA-N -1 0 626.065 5.920 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000409221983 1072994960 /nfs/dbraw/zinc/99/49/60/1072994960.db2.gz AKTJYGUPEWHENJ-KEBDBYFISA-N -1 0 503.933 5.598 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000409222244 1072995024 /nfs/dbraw/zinc/99/50/24/1072995024.db2.gz BFSTUGNSCCIPEU-VXLYETTFSA-N -1 0 558.805 5.639 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409222068 1072996103 /nfs/dbraw/zinc/99/61/03/1072996103.db2.gz AEJIWIBDOFBOEU-BUVRLJJBSA-N -1 0 680.552 6.028 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409221869 1072996455 /nfs/dbraw/zinc/99/64/55/1072996455.db2.gz BFQUBGCRNPQCGK-YBFXNURJSA-N -1 0 589.229 5.440 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219510 1073007557 /nfs/dbraw/zinc/00/75/57/1073007557.db2.gz NIFQPUIJBWCFMB-RGVLZGJSSA-N -1 0 643.834 5.093 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409219512 1073007795 /nfs/dbraw/zinc/00/77/95/1073007795.db2.gz RINNGPITASYIMR-KEBDBYFISA-N -1 0 612.864 5.412 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409219193 1073010310 /nfs/dbraw/zinc/01/03/10/1073010310.db2.gz NUVDVKMCCOWSAO-GIJQJNRQSA-N -1 0 668.125 6.202 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409218805 1073011197 /nfs/dbraw/zinc/01/11/97/1073011197.db2.gz KZZLYEYJRNBOIJ-RGVLZGJSSA-N -1 0 633.282 5.839 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409230089 1073016635 /nfs/dbraw/zinc/01/66/35/1073016635.db2.gz BICOTHVMEGURCU-WOJGMQOQSA-N -1 0 514.832 5.341 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409237079 1073034140 /nfs/dbraw/zinc/03/41/40/1073034140.db2.gz VVRXEUSDNYHQNX-WSDLNYQXSA-N -1 0 539.966 6.193 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409235082 1073046965 /nfs/dbraw/zinc/04/69/65/1073046965.db2.gz AVTXOLBYJWEGQG-GIJQJNRQSA-N -1 0 582.829 6.360 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409232387 1073060767 /nfs/dbraw/zinc/06/07/67/1073060767.db2.gz OOHAKVFYGBWBED-YBFXNURJSA-N -1 0 531.472 5.590 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409230215 1073071014 /nfs/dbraw/zinc/07/10/14/1073071014.db2.gz XOJYLPOYHVYDAG-CVKSISIWSA-N -1 0 603.125 6.947 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409247102 1073071741 /nfs/dbraw/zinc/07/17/41/1073071741.db2.gz BFNDQJFGQGUEII-OCKHKDLRSA-N -1 0 694.309 5.907 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409246261 1073077765 /nfs/dbraw/zinc/07/77/65/1073077765.db2.gz HEOSYMKFHFGQLF-PCLIKHOPSA-N -1 0 574.464 6.955 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409245895 1073081687 /nfs/dbraw/zinc/08/16/87/1073081687.db2.gz ANLOYIMGGKPTET-GIJQJNRQSA-N -1 0 518.853 6.194 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409245603 1073083008 /nfs/dbraw/zinc/08/30/08/1073083008.db2.gz WJZKFGFFBWZSBN-WGOQTCKBSA-N -1 0 558.009 6.440 40 10 KKCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2)cc1 ZINC000409242013 1073098266 /nfs/dbraw/zinc/09/82/66/1073098266.db2.gz PQLQHRNYNAENNS-FYJGNVAPSA-N -1 0 509.450 5.740 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409240675 1073105796 /nfs/dbraw/zinc/10/57/96/1073105796.db2.gz HLEPJLVEPLNTAN-NLRVBDNBSA-N -1 0 570.045 6.392 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 ZINC000409240597 1073107251 /nfs/dbraw/zinc/10/72/51/1073107251.db2.gz HCJYDNUGVAXNSY-LPYMAVHISA-N -1 0 522.026 5.064 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409239098 1073115966 /nfs/dbraw/zinc/11/59/66/1073115966.db2.gz GHMBZIAPTAFAFM-KMHUVPDISA-N -1 0 521.795 5.263 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409238223 1073121271 /nfs/dbraw/zinc/12/12/71/1073121271.db2.gz CWHVQZJRHLGUFI-MFKUBSTISA-N -1 0 539.573 5.215 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251256 1073129450 /nfs/dbraw/zinc/12/94/50/1073129450.db2.gz PBBSEDKFWBQZCB-JJFYIABZSA-N -1 0 637.443 5.057 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC(C)C ZINC000409250521 1073134830 /nfs/dbraw/zinc/13/48/30/1073134830.db2.gz MRRRNITVNIICQJ-VIZOYTHASA-N -1 0 523.836 5.038 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409250076 1073137537 /nfs/dbraw/zinc/13/75/37/1073137537.db2.gz LFPSGXLUNDGRJM-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409249481 1073141311 /nfs/dbraw/zinc/14/13/11/1073141311.db2.gz JIVFECQIGVQEAG-NVMNQCDNSA-N -1 0 696.179 6.819 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000409249323 1073142355 /nfs/dbraw/zinc/14/23/55/1073142355.db2.gz HJXYTTLQLKYSRN-RGVLZGJSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409248743 1073146150 /nfs/dbraw/zinc/14/61/50/1073146150.db2.gz FSUDBPVFXMANRZ-NDENLUEZSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1Cl ZINC000409248381 1073149296 /nfs/dbraw/zinc/14/92/96/1073149296.db2.gz FYGWZTJXCAGCEB-CNHKJKLMSA-N -1 0 696.179 6.819 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 ZINC000409248403 1073149679 /nfs/dbraw/zinc/14/96/79/1073149679.db2.gz GFGRMOUKMFAMMZ-OEAKJJBVSA-N -1 0 592.446 5.149 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000409248209 1073150147 /nfs/dbraw/zinc/15/01/47/1073150147.db2.gz CLKOITNLXGACFY-LICLKQGHSA-N -1 0 663.706 5.558 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409248147 1073150155 /nfs/dbraw/zinc/15/01/55/1073150155.db2.gz CFWCWFXOKSLVFD-HMAPJEAMSA-N -1 0 562.022 5.348 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1 ZINC000409247924 1073151751 /nfs/dbraw/zinc/15/17/51/1073151751.db2.gz FAAJGWHJAQMRIF-RGVLZGJSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409247708 1073152664 /nfs/dbraw/zinc/15/26/64/1073152664.db2.gz AUARZXGNWSMKAV-QRQIAZFYSA-N -1 0 745.570 6.570 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000409247669 1073153672 /nfs/dbraw/zinc/15/36/72/1073153672.db2.gz ACZQLRMKMIMYCO-CIAFOILYSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1C ZINC000409255359 1073156687 /nfs/dbraw/zinc/15/66/87/1073156687.db2.gz JSVIQKISRVTWPZ-UDWIEESQSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000409256909 1073158645 /nfs/dbraw/zinc/15/86/45/1073158645.db2.gz OAURJFNVNOZTKS-WSDLNYQXSA-N -1 0 656.917 5.892 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1OC ZINC000409256926 1073159051 /nfs/dbraw/zinc/15/90/51/1073159051.db2.gz MULMATAGBMEWGR-UCQKPKSFSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000409256495 1073160586 /nfs/dbraw/zinc/16/05/86/1073160586.db2.gz LRCPRBZZQXUNNV-JAIQZWGSSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1C ZINC000409256582 1073160934 /nfs/dbraw/zinc/16/09/34/1073160934.db2.gz PKBLEGICHYGISD-QRQIAZFYSA-N -1 0 654.517 6.329 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409255973 1073164856 /nfs/dbraw/zinc/16/48/56/1073164856.db2.gz MXBLCZYHGVGLAQ-RGVLZGJSSA-N -1 0 692.158 5.966 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409255520 1073167689 /nfs/dbraw/zinc/16/76/89/1073167689.db2.gz LPFIFLQKQJRBHU-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409255196 1073168239 /nfs/dbraw/zinc/16/82/39/1073168239.db2.gz KTOHVNFUPSJLAW-IWIPYMOSSA-N -1 0 541.604 5.003 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c1C ZINC000409254859 1073169600 /nfs/dbraw/zinc/16/96/00/1073169600.db2.gz JFTCHRNXEAAPLV-IUXPMGMMSA-N -1 0 607.277 6.601 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409254773 1073170420 /nfs/dbraw/zinc/17/04/20/1073170420.db2.gz FNBPLINLBQAIJB-QRVIBDJDSA-N -1 0 715.395 6.310 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409254797 1073171002 /nfs/dbraw/zinc/17/10/02/1073171002.db2.gz GAQVPXMBWBZFBH-RGVLZGJSSA-N -1 0 596.865 5.712 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409254543 1073171373 /nfs/dbraw/zinc/17/13/73/1073171373.db2.gz XQGKYAIZGRBBSL-XSFVSMFZSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409254639 1073171653 /nfs/dbraw/zinc/17/16/53/1073171653.db2.gz XYFARCRAXWVFBY-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1Cl ZINC000409254621 1073171730 /nfs/dbraw/zinc/17/17/30/1073171730.db2.gz DXZYYPPIKKSEML-GIJQJNRQSA-N -1 0 647.707 5.857 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000409253637 1073180231 /nfs/dbraw/zinc/18/02/31/1073180231.db2.gz XPVYHVPSOKWJPL-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409253288 1073182122 /nfs/dbraw/zinc/18/21/22/1073182122.db2.gz WRRZFOFLBJQTKY-KOEQRZSOSA-N -1 0 601.656 5.265 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409252940 1073183527 /nfs/dbraw/zinc/18/35/27/1073183527.db2.gz VIPNPIACJPDRIR-ODLFYWEKSA-N -1 0 643.357 5.677 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000409252640 1073187061 /nfs/dbraw/zinc/18/70/61/1073187061.db2.gz UHSUJMKVNYDBFB-OYKKKHCWSA-N -1 0 576.447 5.367 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OC ZINC000409252437 1073187502 /nfs/dbraw/zinc/18/75/02/1073187502.db2.gz BRWFJYOZDCEBOE-XKZIYDEJSA-N -1 0 666.525 5.556 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000409252116 1073189169 /nfs/dbraw/zinc/18/91/69/1073189169.db2.gz SQGXVFORVWRUMR-NDENLUEZSA-N -1 0 613.262 5.204 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1OC ZINC000409252195 1073189484 /nfs/dbraw/zinc/18/94/84/1073189484.db2.gz CQOMERFLIVPVMQ-HMAPJEAMSA-N -1 0 622.472 5.239 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OC ZINC000409252197 1073189554 /nfs/dbraw/zinc/18/95/54/1073189554.db2.gz RERZQWGFNDBIRK-UCQKPKSFSA-N -1 0 727.552 5.788 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409251664 1073191866 /nfs/dbraw/zinc/19/18/66/1073191866.db2.gz QBZZKPKLDMLNSZ-KEBDBYFISA-N -1 0 626.891 5.720 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1OC ZINC000409262461 1073193443 /nfs/dbraw/zinc/19/34/43/1073193443.db2.gz DZJBRPHWIZEFIQ-HMAPJEAMSA-N -1 0 592.048 5.438 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000409265243 1073194380 /nfs/dbraw/zinc/19/43/80/1073194380.db2.gz RNWHSWNRQBICMB-UCQKPKSFSA-N -1 0 531.996 5.258 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1C ZINC000409265253 1073194403 /nfs/dbraw/zinc/19/44/03/1073194403.db2.gz ROZKNJHPRQSZEE-SRZZPIQSSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409266955 1073197121 /nfs/dbraw/zinc/19/71/21/1073197121.db2.gz SOBWWOSQKZEQAA-LPYMAVHISA-N -1 0 622.472 5.157 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409266784 1073200222 /nfs/dbraw/zinc/20/02/22/1073200222.db2.gz REGIHCNNPBRKOZ-UDWIEESQSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409266229 1073202295 /nfs/dbraw/zinc/20/22/95/1073202295.db2.gz PIPXJBFZRQGTTL-STZFKDTASA-N -1 0 562.022 5.348 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OCC ZINC000409266025 1073204461 /nfs/dbraw/zinc/20/44/61/1073204461.db2.gz VTJJEBCWGGMHJW-OEAKJJBVSA-N -1 0 729.422 6.700 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409265897 1073205361 /nfs/dbraw/zinc/20/53/61/1073205361.db2.gz WSXLCIMIYSXOFI-SRZZPIQSSA-N -1 0 640.918 6.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409265491 1073206062 /nfs/dbraw/zinc/20/60/62/1073206062.db2.gz VEPOGWDUMXMVPI-KEBDBYFISA-N -1 0 582.440 5.611 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1 ZINC000409265757 1073206092 /nfs/dbraw/zinc/20/60/92/1073206092.db2.gz OPYKBNSHYXHGDU-UNOMPAQXSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265376 1073207273 /nfs/dbraw/zinc/20/72/73/1073207273.db2.gz HXMGTWDOENIBCA-NHDPSOOVSA-N -1 0 670.900 5.280 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409264997 1073209599 /nfs/dbraw/zinc/20/95/99/1073209599.db2.gz MDAUWDCWFODYHJ-AWQFTUOYSA-N -1 0 616.885 6.346 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409264666 1073210846 /nfs/dbraw/zinc/21/08/46/1073210846.db2.gz QZHJLOSSQPEIOW-KEBDBYFISA-N -1 0 586.403 5.524 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409264689 1073211247 /nfs/dbraw/zinc/21/12/47/1073211247.db2.gz RDQXDEHDXYUXJE-QRVIBDJDSA-N -1 0 667.500 5.607 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409264599 1073211988 /nfs/dbraw/zinc/21/19/88/1073211988.db2.gz LGBZKMMZAJBIJZ-IDUWFGFVSA-N -1 0 623.276 6.301 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409264457 1073212665 /nfs/dbraw/zinc/21/26/65/1073212665.db2.gz LLCRADPZGZKEHC-RQZCQDPDSA-N -1 0 633.282 5.757 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1OCC ZINC000409264082 1073214320 /nfs/dbraw/zinc/21/43/20/1073214320.db2.gz JNUZRPIRELUGLB-HYARGMPZSA-N -1 0 713.525 5.480 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409263987 1073215202 /nfs/dbraw/zinc/21/52/02/1073215202.db2.gz JUNIKBRLCKEBLL-ODLFYWEKSA-N -1 0 617.283 6.057 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OC ZINC000409263521 1073217842 /nfs/dbraw/zinc/21/78/42/1073217842.db2.gz HKSSNZWWHMQNTF-XKZIYDEJSA-N -1 0 622.074 5.447 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1OCC ZINC000409263317 1073218019 /nfs/dbraw/zinc/21/80/19/1073218019.db2.gz IOWVMNVCCQMBFK-HZHRSRAPSA-N -1 0 636.499 5.629 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409262598 1073220659 /nfs/dbraw/zinc/22/06/59/1073220659.db2.gz ICKHFKCWAFODIQ-WOJGMQOQSA-N -1 0 572.376 5.215 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c1C ZINC000409262339 1073222335 /nfs/dbraw/zinc/22/23/35/1073222335.db2.gz GVTYNQAPWGLMKE-UNOMPAQXSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1Cl ZINC000409262374 1073222622 /nfs/dbraw/zinc/22/26/22/1073222622.db2.gz HDYSMDHECYBMEO-LSCVHKIXSA-N -1 0 574.804 5.345 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409260900 1073231083 /nfs/dbraw/zinc/23/10/83/1073231083.db2.gz YHDOBQLNIDGREN-KOEQRZSOSA-N -1 0 615.683 5.574 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)c1C ZINC000409260803 1073232399 /nfs/dbraw/zinc/23/23/99/1073232399.db2.gz WSNOZHXCSAMBDB-CEUNXORHSA-N -1 0 575.621 5.566 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409260239 1073234124 /nfs/dbraw/zinc/23/41/24/1073234124.db2.gz NEODNDVUAOAWKR-XKZIYDEJSA-N -1 0 562.022 5.348 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409259945 1073236139 /nfs/dbraw/zinc/23/61/39/1073236139.db2.gz IDHVWVYIBZHKPU-KEBDBYFISA-N -1 0 612.864 5.412 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000409259949 1073236276 /nfs/dbraw/zinc/23/62/76/1073236276.db2.gz IFTCVRUUHZZYET-CIAFOILYSA-N -1 0 643.288 5.213 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000409259919 1073237492 /nfs/dbraw/zinc/23/74/92/1073237492.db2.gz HPYYEVBVBBZYET-WSDLNYQXSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409259711 1073238218 /nfs/dbraw/zinc/23/82/18/1073238218.db2.gz DAYFNAPNEAIUSS-CIAFOILYSA-N -1 0 657.436 5.130 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OCC ZINC000409259558 1073238968 /nfs/dbraw/zinc/23/89/68/1073238968.db2.gz AQUIHCCUIFZRJO-OEAKJJBVSA-N -1 0 636.101 5.837 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409259350 1073241036 /nfs/dbraw/zinc/24/10/36/1073241036.db2.gz YOTCPGXECKFNQI-RQZCQDPDSA-N -1 0 668.125 6.202 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OCC ZINC000409259349 1073241043 /nfs/dbraw/zinc/24/10/43/1073241043.db2.gz YXMRBNFJKKNMNT-OEAKJJBVSA-N -1 0 680.552 5.946 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c(C)c1 ZINC000409258920 1073241849 /nfs/dbraw/zinc/24/18/49/1073241849.db2.gz WBYSNZCGMTXILV-CIAFOILYSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000409258760 1073244252 /nfs/dbraw/zinc/24/42/52/1073244252.db2.gz VWOYNXVLWSKQEH-WQRHYEAKSA-N -1 0 629.330 5.369 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409258744 1073244294 /nfs/dbraw/zinc/24/42/94/1073244294.db2.gz XLMGUPOSOUUBLX-RGVLZGJSSA-N -1 0 603.256 5.748 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OC ZINC000409258566 1073245130 /nfs/dbraw/zinc/24/51/30/1073245130.db2.gz XLDSKHGZTFTMKE-UCQKPKSFSA-N -1 0 680.552 5.946 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)cc1Cl ZINC000409257908 1073248418 /nfs/dbraw/zinc/24/84/18/1073248418.db2.gz UNWKYGFRGNMADX-ODLFYWEKSA-N -1 0 540.428 5.151 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409257896 1073249958 /nfs/dbraw/zinc/24/99/58/1073249958.db2.gz UGMFNKDDFGLEDC-PXNMLYILSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)c1 ZINC000409270845 1073267187 /nfs/dbraw/zinc/26/71/87/1073267187.db2.gz IEPQHHIQMAMNGN-CEUNXORHSA-N -1 0 575.621 5.566 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409270473 1073270088 /nfs/dbraw/zinc/27/00/88/1073270088.db2.gz PXSWTGQEXAJSAB-NDENLUEZSA-N -1 0 640.918 6.110 40 10 KKCBRM COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1Cl ZINC000409270218 1073271792 /nfs/dbraw/zinc/27/17/92/1073271792.db2.gz GLUVUFHTUUEWEV-NHDPSOOVSA-N -1 0 526.954 5.290 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409269848 1073274518 /nfs/dbraw/zinc/27/45/18/1073274518.db2.gz ABVGVRSQDVYTCT-RGVLZGJSSA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c(C)c1 ZINC000409269197 1073278965 /nfs/dbraw/zinc/27/89/65/1073278965.db2.gz GWHDOYMLHIASGF-ZDLGFXPLSA-N -1 0 675.761 6.474 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269089 1073280526 /nfs/dbraw/zinc/28/05/26/1073280526.db2.gz DYGYQYBYZWWXOB-UFFVCSGVSA-N -1 0 659.864 5.254 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409268947 1073281325 /nfs/dbraw/zinc/28/13/25/1073281325.db2.gz BSMYQDXKZGHRCY-WGARJPEWSA-N -1 0 660.510 6.573 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1OCC ZINC000409268645 1073283209 /nfs/dbraw/zinc/28/32/09/1073283209.db2.gz XAOLOGSUWIKFFP-OEAKJJBVSA-N -1 0 680.552 5.946 40 10 KKCBRM Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)c1 ZINC000409268441 1073283605 /nfs/dbraw/zinc/28/36/05/1073283605.db2.gz ZSYOZOOEVTZUKB-CEUNXORHSA-N -1 0 561.594 5.258 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OCC ZINC000409268286 1073284309 /nfs/dbraw/zinc/28/43/09/1073284309.db2.gz YTUIGSFNJKDHKC-OEAKJJBVSA-N -1 0 727.552 5.788 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409267867 1073287025 /nfs/dbraw/zinc/28/70/25/1073287025.db2.gz WSGGWNPVNHFDKW-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409268101 1073287044 /nfs/dbraw/zinc/28/70/44/1073287044.db2.gz ZPJBAJLAVNGUOD-HZHRSRAPSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409267907 1073287388 /nfs/dbraw/zinc/28/73/88/1073287388.db2.gz PUYPKIGWSLAAAG-UYRXBGFRSA-N -1 0 582.838 5.403 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409267941 1073287422 /nfs/dbraw/zinc/28/74/22/1073287422.db2.gz YDTSAGIZHDNZHN-ODLFYWEKSA-N -1 0 649.748 5.714 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409267590 1073288671 /nfs/dbraw/zinc/28/86/71/1073288671.db2.gz OIWRHBSBSMTTKQ-QRQIAZFYSA-N -1 0 654.119 6.618 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000409267547 1073288726 /nfs/dbraw/zinc/28/87/26/1073288726.db2.gz NOHRWUVEFBXOBT-OEAKJJBVSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c1 ZINC000409267373 1073290599 /nfs/dbraw/zinc/29/05/99/1073290599.db2.gz VFURPLLTVNFIOE-RGVLZGJSSA-N -1 0 596.865 5.712 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409273415 1073320136 /nfs/dbraw/zinc/32/01/36/1073320136.db2.gz XVSIGFCMWGBRGN-VXLYETTFSA-N -1 0 651.670 5.688 40 10 KKCBRM Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000409276456 1073329369 /nfs/dbraw/zinc/32/93/69/1073329369.db2.gz RKKFEASWXTUWMS-NHDPSOOVSA-N -1 0 510.955 5.590 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)C1=O ZINC000409272855 1073336069 /nfs/dbraw/zinc/33/60/69/1073336069.db2.gz SYBGPNVDKJVZSA-LZYBPNLTSA-N -1 0 682.152 6.511 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409272817 1073336107 /nfs/dbraw/zinc/33/61/07/1073336107.db2.gz SOMOLFDMVSKXQN-ZDLGFXPLSA-N -1 0 643.834 5.093 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409382133 195513956 /nfs/dbraw/zinc/51/39/56/195513956.db2.gz LDVASWSWWQEVGF-HYARGMPZSA-N -1 0 535.463 5.730 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634933 195482437 /nfs/dbraw/zinc/48/24/37/195482437.db2.gz YDFCSWAMGDJICX-FSGOGVSDSA-N -1 0 580.710 7.275 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409049469 195496279 /nfs/dbraw/zinc/49/62/79/195496279.db2.gz XAIHHEYMHPQUIS-CXUHLZMHSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001106486 551610159 /nfs/dbraw/zinc/61/01/59/551610159.db2.gz YNOASTVYDNYVQY-WOJGMQOQSA-N -1 0 555.971 5.196 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000001783283 551698744 /nfs/dbraw/zinc/69/87/44/551698744.db2.gz BFOSXGLACRONEL-SRZZPIQSSA-N -1 0 590.904 6.794 40 10 KKCBRM Cc1cc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)ccc1Cl ZINC000001861458 551717111 /nfs/dbraw/zinc/71/71/11/551717111.db2.gz XDXBVMWVZNUOHM-HZHRSRAPSA-N -1 0 517.969 6.168 40 10 KKCBRM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000002225879 551796825 /nfs/dbraw/zinc/79/68/25/551796825.db2.gz UZDSJLDXBJFSMD-JHKMYFMNSA-N -1 0 512.009 7.363 40 10 KKCBRM CCOc1cc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821795 553156116 /nfs/dbraw/zinc/15/61/16/553156116.db2.gz ZDGAXQHNRHFVTL-UCQKPKSFSA-N -1 0 508.983 6.098 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000009010271 553199725 /nfs/dbraw/zinc/19/97/25/553199725.db2.gz LAKJLPQLCCQXQF-VEILYXNESA-N -1 0 521.642 5.991 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000009263167 553228692 /nfs/dbraw/zinc/22/86/92/553228692.db2.gz URMZUXDOXWDUJK-BOPFTXTBSA-N -1 0 513.337 5.284 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000014133034 553501635 /nfs/dbraw/zinc/50/16/35/553501635.db2.gz FXTUJAHGPGAGKH-UDWIEESQSA-N -1 0 508.933 5.432 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000014132846 553501659 /nfs/dbraw/zinc/50/16/59/553501659.db2.gz BATSZNSKZLZVOA-WOJGMQOQSA-N -1 0 511.361 5.556 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1F ZINC000015231337 553530102 /nfs/dbraw/zinc/53/01/02/553530102.db2.gz LNOQJFAVBBOQBZ-MFKUBSTISA-N -1 0 509.581 5.751 40 10 KKCBRM CC(C=C1SC(=S)N(C2=C([O-])N(c3cccc(C(F)(F)F)c3)C(=O)C2)C1=O)=Cc1ccccc1 ZINC000016805951 553583210 /nfs/dbraw/zinc/58/32/10/553583210.db2.gz CNUHCXOHLXJVNY-VKOYHLHUSA-N -1 0 502.539 5.185 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000096477466 553754875 /nfs/dbraw/zinc/75/48/75/553754875.db2.gz YONYAKFJDIBAGD-DEDYPNTBSA-N -1 0 512.462 7.196 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC000027840199 553836681 /nfs/dbraw/zinc/83/66/81/553836681.db2.gz KIEMWHLGHVTOES-PXLXIMEGSA-N -1 0 513.402 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/nfs/dbraw/zinc/48/28/90/571482890.db2.gz AKMMRKZJAKIHJN-BAVULBIOSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224132412 571482968 /nfs/dbraw/zinc/48/29/68/571482968.db2.gz FZSNRJPTUXVOEH-OTWWGAIPSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224132315 571483046 /nfs/dbraw/zinc/48/30/46/571483046.db2.gz FZSNRJPTUXVOEH-WTEHXLFCSA-N -1 0 614.215 7.500 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223532677 571496020 /nfs/dbraw/zinc/49/60/20/571496020.db2.gz VRWPZRMUPCUABS-NPRIEWAGSA-N -1 0 512.473 5.393 40 10 KKCBRM O=C([O-])[C@@H](CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000150437456 571496669 /nfs/dbraw/zinc/49/66/69/571496669.db2.gz MLNQFRQBPJFQAI-IHMJTFEDSA-N -1 0 623.630 6.720 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223551224 571499689 /nfs/dbraw/zinc/49/96/89/571499689.db2.gz IZBAOZNTNWWPDT-REIAIGDLSA-N -1 0 526.500 5.781 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223558904 571501621 /nfs/dbraw/zinc/50/16/21/571501621.db2.gz UNLZEMZODHPWDY-BRFSQIRFSA-N -1 0 500.426 6.160 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223582525 571507265 /nfs/dbraw/zinc/50/72/65/571507265.db2.gz ZBGAQUAZAYMHEI-BKQORJHRSA-N -1 0 500.426 6.080 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224273058 571511130 /nfs/dbraw/zinc/51/11/30/571511130.db2.gz UKOHZLIJWJXFOU-IZLXSDGUSA-N -1 0 510.663 6.290 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224273091 571511154 /nfs/dbraw/zinc/51/11/54/571511154.db2.gz UKOHZLIJWJXFOU-WUFINQPMSA-N -1 0 510.663 6.290 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000150481343 571512538 /nfs/dbraw/zinc/51/25/38/571512538.db2.gz FMMWUDBINVFKJV-VCHYOVAHSA-N -1 0 620.681 6.119 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223607432 571512685 /nfs/dbraw/zinc/51/26/85/571512685.db2.gz WLNBPIYOFSACJP-KOWBDXASSA-N -1 0 524.459 5.925 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)c(OC)c1 ZINC000223612136 571513758 /nfs/dbraw/zinc/51/37/58/571513758.db2.gz NJPSTQVSXXSBJL-ZFJBLLOBSA-N -1 0 505.615 5.179 40 10 KKCBRM COc1cc(/N=N\c2ccc3cc(S(=O)(=O)[O-])ccc3c2)c(OC)cc1/N=N/c1cc(C)c(NC(=O)c2ccc(N)cc2)cc1C ZINC000150485440 571515940 /nfs/dbraw/zinc/51/59/40/571515940.db2.gz QEZXDYQNUXXDEE-WVCCOWEBSA-N -1 0 638.706 8.386 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000150621109 571523376 /nfs/dbraw/zinc/52/33/76/571523376.db2.gz NGQKJEIPBAPCSU-YDZHTSKRSA-N -1 0 636.296 6.619 40 10 KKCBRM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4c(Br)cc(Br)cc4Br)c3=O)n2)cc1 ZINC000150625470 571523652 /nfs/dbraw/zinc/52/36/52/571523652.db2.gz NZSDZASQNSTKEG-OZMIJRPQSA-N -1 0 628.144 6.981 40 10 KKCBRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)s1)c1ccccc1Cl ZINC000223677525 571525231 /nfs/dbraw/zinc/52/52/31/571525231.db2.gz JYFPIWPXHFALBX-UHFFFAOYSA-N -1 0 533.418 5.129 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224372821 571532413 /nfs/dbraw/zinc/53/24/13/571532413.db2.gz XGWGGUYFQYMEAK-WDYNHAJCSA-N -1 0 524.690 6.796 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000164309766 571545369 /nfs/dbraw/zinc/54/53/69/571545369.db2.gz UQFKFGCPROWQJA-YBFXNURJSA-N -1 0 622.111 6.048 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000164306298 571545442 /nfs/dbraw/zinc/54/54/42/571545442.db2.gz SYNCUTADNXQHDO-KKMKTNMSSA-N -1 0 690.978 7.724 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(I)c3)C2=O)c1 ZINC000164312075 571545579 /nfs/dbraw/zinc/54/55/79/571545579.db2.gz MWGHZUQBPLLYFH-CIAFOILYSA-N -1 0 705.343 6.405 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164325555 571545749 /nfs/dbraw/zinc/54/57/49/571545749.db2.gz OWBRAHIXHUMXNE-CNHKJKLMSA-N -1 0 634.266 6.129 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164326259 571545861 /nfs/dbraw/zinc/54/58/61/571545861.db2.gz HVHNANADCVMSGS-LUOAPIJWSA-N -1 0 757.452 8.320 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000164344497 571546097 /nfs/dbraw/zinc/54/60/97/571546097.db2.gz RNOUJPLDYSMANH-KKMKTNMSSA-N -1 0 680.426 8.469 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164350636 571546241 /nfs/dbraw/zinc/54/62/41/571546241.db2.gz GTCZGTCEMNQSSB-DJKKODMXSA-N -1 0 691.272 5.427 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000164371310 571546470 /nfs/dbraw/zinc/54/64/70/571546470.db2.gz OXPKECRMEUMWSV-GIJQJNRQSA-N -1 0 653.096 6.359 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223800767 571546495 /nfs/dbraw/zinc/54/64/95/571546495.db2.gz DHALJDOWFPNTMP-SVBPBHIXSA-N -1 0 512.635 5.763 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000164373657 571546556 /nfs/dbraw/zinc/54/65/56/571546556.db2.gz IOHISGMTYVYVBX-GIJQJNRQSA-N -1 0 639.190 5.577 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000164375827 571546696 /nfs/dbraw/zinc/54/66/96/571546696.db2.gz QSMQNSGVZXFXIC-YBFXNURJSA-N -1 0 668.200 5.280 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164383130 571546723 /nfs/dbraw/zinc/54/67/23/571546723.db2.gz VUZHMKYZRIRJNS-GIJQJNRQSA-N -1 0 655.247 6.381 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000164387708 571546821 /nfs/dbraw/zinc/54/68/21/571546821.db2.gz RAACAIQKICPSDI-XHPQRKPJSA-N -1 0 622.519 7.544 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 ZINC000164394215 571547023 /nfs/dbraw/zinc/54/70/23/571547023.db2.gz IDVKIGZPRLVQOK-OQLLNIDSSA-N -1 0 655.258 5.742 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164404886 571547172 /nfs/dbraw/zinc/54/71/72/571547172.db2.gz SPSUCOUDEODTIA-WOJGMQOQSA-N -1 0 681.321 6.002 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164401278 571547189 /nfs/dbraw/zinc/54/71/89/571547189.db2.gz UVXCSCWFLBZXAP-OVCLIPMQSA-N -1 0 657.288 6.156 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000164397931 571547198 /nfs/dbraw/zinc/54/71/98/571547198.db2.gz URCOKHIXTYWPIX-OQLLNIDSSA-N -1 0 702.258 5.584 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000164398069 571547294 /nfs/dbraw/zinc/54/72/94/571547294.db2.gz IGTLFBWFPIFUHG-CXUHLZMHSA-N -1 0 702.258 5.584 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000164446680 571547666 /nfs/dbraw/zinc/54/76/66/571547666.db2.gz HADFHDSOQVWQOF-WSDLNYQXSA-N -1 0 685.166 7.373 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000164445970 571547709 /nfs/dbraw/zinc/54/77/09/571547709.db2.gz IPVHRLFMJXLOSS-VXLYETTFSA-N -1 0 649.133 6.528 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164454982 571547918 /nfs/dbraw/zinc/54/79/18/571547918.db2.gz ZTBYPJMQQKUXMC-OEAKJJBVSA-N -1 0 653.270 6.452 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000164449302 571547935 /nfs/dbraw/zinc/54/79/35/571547935.db2.gz OIWZHYJJBGJPQK-RQZCQDPDSA-N -1 0 716.551 6.715 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164459777 571548145 /nfs/dbraw/zinc/54/81/45/571548145.db2.gz FNAIQRULBTYBLB-VXLYETTFSA-N -1 0 631.233 5.374 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000164460489 571548254 /nfs/dbraw/zinc/54/82/54/571548254.db2.gz BHTZBBIXENMNSF-VCHYOVAHSA-N -1 0 651.226 5.447 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000164463766 571548408 /nfs/dbraw/zinc/54/84/08/571548408.db2.gz VHWVWPZZTLREFV-JVWAILMASA-N -1 0 649.339 6.865 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000164467914 571548545 /nfs/dbraw/zinc/54/85/45/571548545.db2.gz JSIIDYCSHRXNOP-YBFXNURJSA-N -1 0 665.253 5.837 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000164471220 571548664 /nfs/dbraw/zinc/54/86/64/571548664.db2.gz KBXGCGMHADRPQE-ZVHZXABRSA-N -1 0 650.323 7.009 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000164477948 571548806 /nfs/dbraw/zinc/54/88/06/571548806.db2.gz ZUUBIPJMAYVWGM-RGVLZGJSSA-N -1 0 633.236 5.308 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224466452 571552557 /nfs/dbraw/zinc/55/25/57/571552557.db2.gz GARIQJWDFHISFD-LOSJGSFVSA-N -1 0 503.027 6.018 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223823300 571556442 /nfs/dbraw/zinc/55/64/42/571556442.db2.gz ZYKXHCCJPKLCTG-NSOVKSMOSA-N -1 0 526.662 6.072 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224498024 571560685 /nfs/dbraw/zinc/56/06/85/571560685.db2.gz IIUSAIXPGZKLPN-DQEYMECFSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223898837 571570603 /nfs/dbraw/zinc/57/06/03/571570603.db2.gz RKMZNTPODPFUHO-SVBPBHIXSA-N -1 0 511.651 5.430 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000206827360 571572883 /nfs/dbraw/zinc/57/28/83/571572883.db2.gz CAGQVBTUWBVGDD-WOJGMQOQSA-N -1 0 556.887 5.756 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208230144 571573405 /nfs/dbraw/zinc/57/34/05/571573405.db2.gz QWDLTXNESVKIFH-DORSJAEJSA-N -1 0 510.432 5.454 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208308547 571573871 /nfs/dbraw/zinc/57/38/71/571573871.db2.gz RRQYGEABXXQGNU-RBYWHNRPSA-N -1 0 510.432 5.536 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C1=O)C(C)=CC(C)(C)N2C ZINC000208451362 571574520 /nfs/dbraw/zinc/57/45/20/571574520.db2.gz CBYMHGLHAAMOQA-UDWIEESQSA-N -1 0 510.457 5.221 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223976959 571587406 /nfs/dbraw/zinc/58/74/06/571587406.db2.gz YJFKFSVWIOJVMW-RRPNLBNLSA-N -1 0 525.634 5.323 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224016678 571595835 /nfs/dbraw/zinc/59/58/35/571595835.db2.gz TXQGMCYUBWQNBC-IZZNHLLZSA-N -1 0 512.591 5.093 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224055625 571603137 /nfs/dbraw/zinc/60/31/37/571603137.db2.gz KYJJYJJNLBBCPM-WUFINQPMSA-N -1 0 577.106 6.043 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224055797 571603174 /nfs/dbraw/zinc/60/31/74/571603174.db2.gz VPZLGSTUVCYQNU-IZLXSDGUSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224094013 571609064 /nfs/dbraw/zinc/60/90/64/571609064.db2.gz XYSVOYDFJPJKOO-WDYNHAJCSA-N -1 0 567.715 6.267 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c(OC)c1 ZINC000224808575 571619068 /nfs/dbraw/zinc/61/90/68/571619068.db2.gz AQRMKMODMFZSDT-SXOMAYOGSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224901213 571628217 /nfs/dbraw/zinc/62/82/17/571628217.db2.gz YGPCJJOSBIIPKL-CLJLJLNGSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224900942 571628256 /nfs/dbraw/zinc/62/82/56/571628256.db2.gz DAXGAWPFLWTZBY-IZZNHLLZSA-N -1 0 500.599 5.812 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224963200 571634408 /nfs/dbraw/zinc/63/44/08/571634408.db2.gz YJPRIOCPXCUWIR-KAYWLYCHSA-N -1 0 547.080 6.335 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224988989 571636772 /nfs/dbraw/zinc/63/67/72/571636772.db2.gz GIRUMXXDAHEZPH-CONSDPRKSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224989292 571636791 /nfs/dbraw/zinc/63/67/91/571636791.db2.gz LJYRDWDVFQDFDI-IOWSJCHKSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224989250 571636823 /nfs/dbraw/zinc/63/68/23/571636823.db2.gz LJYRDWDVFQDFDI-JSOSNVBQSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225046012 571641770 /nfs/dbraw/zinc/64/17/70/571641770.db2.gz KCMAUNQXNPJBLQ-WUFINQPMSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225074995 571644480 /nfs/dbraw/zinc/64/44/80/571644480.db2.gz PJKUBISENNZJFB-SAIUNTKASA-N -1 0 617.731 6.382 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225074776 571644487 /nfs/dbraw/zinc/64/44/87/571644487.db2.gz VFFDTTXANBHORQ-CZNDPXEESA-N -1 0 617.731 6.382 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225074957 571644496 /nfs/dbraw/zinc/64/44/96/571644496.db2.gz PJKUBISENNZJFB-CZNDPXEESA-N -1 0 617.731 6.382 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1NC(=O)C(C)(C)C ZINC000225103717 571647544 /nfs/dbraw/zinc/64/75/44/571647544.db2.gz UFFFIGVKYYPENB-VMPREFPWSA-N -1 0 597.741 6.358 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225132565 571650405 /nfs/dbraw/zinc/65/04/05/571650405.db2.gz BLJMPEJRAXPVDN-NSOVKSMOSA-N -1 0 588.133 6.612 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1OC ZINC000225188488 571656086 /nfs/dbraw/zinc/65/60/86/571656086.db2.gz TYBXLXVFRPWTCQ-FQLXRVMXSA-N -1 0 569.687 5.722 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1OC ZINC000225188541 571656093 /nfs/dbraw/zinc/65/60/93/571656093.db2.gz OLMOWVZPIHZFPW-VMPREFPWSA-N -1 0 569.687 5.722 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000225244596 571661948 /nfs/dbraw/zinc/66/19/48/571661948.db2.gz DIYGZSWHWUWRMS-WUFINQPMSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000225244402 571661956 /nfs/dbraw/zinc/66/19/56/571661956.db2.gz BULOUJCINNCAMP-IZLXSDGUSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000225247071 571662207 /nfs/dbraw/zinc/66/22/07/571662207.db2.gz AVTWRNIFIFKSHH-VMPREFPWSA-N -1 0 604.132 5.911 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225270707 571664981 /nfs/dbraw/zinc/66/49/81/571664981.db2.gz YDAZXDYBQZOHQY-WDYNHAJCSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225270824 571665011 /nfs/dbraw/zinc/66/50/11/571665011.db2.gz FLFALNPQIFRVFF-VMPREFPWSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225273359 571665261 /nfs/dbraw/zinc/66/52/61/571665261.db2.gz IGOKZHAFVVDPBX-IHLOFXLRSA-N -1 0 583.714 5.566 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225371532 571736890 /nfs/dbraw/zinc/73/68/90/571736890.db2.gz AMCRSLUQZVKZFU-LOYHVIPDSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225456185 571827643 /nfs/dbraw/zinc/82/76/43/571827643.db2.gz GJLVCCXTTGOCLQ-SXOMAYOGSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225455894 571827649 /nfs/dbraw/zinc/82/76/49/571827649.db2.gz FAQJDWHNVUOMHA-RRPNLBNLSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000260918105 571851872 /nfs/dbraw/zinc/85/18/72/571851872.db2.gz LAVLCEZMEDKNCG-BAGWDXEUSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225531610 571898250 /nfs/dbraw/zinc/89/82/50/571898250.db2.gz WZIGOYNXKALQGY-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225531579 571898275 /nfs/dbraw/zinc/89/82/75/571898275.db2.gz WZIGOYNXKALQGY-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225574284 571934704 /nfs/dbraw/zinc/93/47/04/571934704.db2.gz RVBXHRVZZLAEAS-XZWHSSHBSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225574311 571934809 /nfs/dbraw/zinc/93/48/09/571934809.db2.gz RVBXHRVZZLAEAS-KYJUHHDHSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225592839 571948542 /nfs/dbraw/zinc/94/85/42/571948542.db2.gz BSUKIICAOPLKIW-NSOVKSMOSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225613183 571964674 /nfs/dbraw/zinc/96/46/74/571964674.db2.gz TXJAMKPOASVPGM-VSGBNLITSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225613080 571964697 /nfs/dbraw/zinc/96/46/97/571964697.db2.gz PLIBFCWDBNUSAK-IZLXSDGUSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225630901 571982754 /nfs/dbraw/zinc/98/27/54/571982754.db2.gz SUISYVZSWVDJJJ-IHLOFXLRSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225648728 571997838 /nfs/dbraw/zinc/99/78/38/571997838.db2.gz FPDSSPJUEKGTJM-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225706198 572036763 /nfs/dbraw/zinc/03/67/63/572036763.db2.gz CIWDWRDMRMIBFE-ROJLCIKYSA-N -1 0 589.721 6.342 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225706222 572036872 /nfs/dbraw/zinc/03/68/72/572036872.db2.gz CIWDWRDMRMIBFE-ZWXJPIIXSA-N -1 0 589.721 6.342 40 10 KKCBRM Cc1nn(Cc2ccccc2Cl)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408526192 572157019 /nfs/dbraw/zinc/15/70/19/572157019.db2.gz AGBZXWHRHVOFDN-WPWMEQJKSA-N -1 0 584.120 6.248 40 10 KKCBRM Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)N/C=C1\C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000408526639 572157640 /nfs/dbraw/zinc/15/76/40/572157640.db2.gz BWLVNPTVXVBTLM-NLRVBDNBSA-N -1 0 548.643 5.904 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408528379 572163703 /nfs/dbraw/zinc/16/37/03/572163703.db2.gz BBZCWTAFJBRDGE-FFKFWDHTSA-N -1 0 720.124 6.168 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408528606 572165223 /nfs/dbraw/zinc/16/52/23/572165223.db2.gz BOUPBIWQNKLXRL-NVMNQCDNSA-N -1 0 683.187 6.024 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408529102 572166612 /nfs/dbraw/zinc/16/66/12/572166612.db2.gz CBYADVRDQPVIAU-NCHPMYSESA-N -1 0 641.228 5.405 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc(Cl)cc1Cl ZINC000408529717 572169371 /nfs/dbraw/zinc/16/93/71/572169371.db2.gz CYOSUXMIMIWFCA-YBEGLDIGSA-N -1 0 578.177 5.781 40 10 KKCBRM O=C(N/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O)Nc1ccccc1 ZINC000408529753 572169476 /nfs/dbraw/zinc/16/94/76/572169476.db2.gz HVRPZKFKWLOCRH-RCCKNPSSSA-N -1 0 563.452 5.205 40 10 KKCBRM COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408530276 572171139 /nfs/dbraw/zinc/17/11/39/572171139.db2.gz DSUUKVDXBSLCPZ-MOSHPQCFSA-N -1 0 600.219 5.106 40 10 KKCBRM O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1Cl ZINC000408530482 572171817 /nfs/dbraw/zinc/17/18/17/572171817.db2.gz IYRLJQRTTBLSMY-RDRPBHBLSA-N -1 0 635.120 6.183 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC ZINC000408530748 572173027 /nfs/dbraw/zinc/17/30/27/572173027.db2.gz FSMUOHGBMSNVDF-LSCVHKIXSA-N -1 0 728.268 6.142 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408530892 572173286 /nfs/dbraw/zinc/17/32/86/572173286.db2.gz FZLLYLFJCISREQ-WBDHZMATSA-N -1 0 551.780 5.388 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408531498 572176054 /nfs/dbraw/zinc/17/60/54/572176054.db2.gz GYZJICNMCHHKTL-SKRUYSPESA-N -1 0 709.225 6.424 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000408531986 572178245 /nfs/dbraw/zinc/17/82/45/572178245.db2.gz HTFYKOASCWUAPJ-ODLFYWEKSA-N -1 0 618.665 6.059 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)/C1=C/NC(=S)Nc1ccccc1 ZINC000408532996 572181449 /nfs/dbraw/zinc/18/14/49/572181449.db2.gz NRJGWQLHNDHVNM-RCCKNPSSSA-N -1 0 579.520 5.370 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNCc1ccccc1 ZINC000408533011 572181585 /nfs/dbraw/zinc/18/15/85/572181585.db2.gz NUGQERJAPKIGRT-CJLVFECKSA-N -1 0 534.454 5.173 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408533117 572182133 /nfs/dbraw/zinc/18/21/33/572182133.db2.gz JKQVPVRIFVKOMC-BOPFTXTBSA-N -1 0 602.210 5.545 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408533271 572182708 /nfs/dbraw/zinc/18/27/08/572182708.db2.gz JSRHMGYKGLFUMS-XDHOZWIPSA-N -1 0 539.371 5.586 40 10 KKCBRM COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408534005 572185356 /nfs/dbraw/zinc/18/53/56/572185356.db2.gz UMHKTSBJPYCKIF-XSFVSMFZSA-N -1 0 595.450 5.413 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1Cl ZINC000408534540 572186069 /nfs/dbraw/zinc/18/60/69/572186069.db2.gz MHVPLRCROLAISD-NVMNQCDNSA-N -1 0 628.184 6.660 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408534419 572186124 /nfs/dbraw/zinc/18/61/24/572186124.db2.gz LWLDQGVAEDTQEA-NDENLUEZSA-N -1 0 614.246 5.414 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Cl)cc2)C1=O ZINC000408534907 572187514 /nfs/dbraw/zinc/18/75/14/572187514.db2.gz MWNFVXYSSDMXOJ-BOPFTXTBSA-N -1 0 634.664 5.759 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccccc1[N+](=O)[O-] ZINC000408534943 572187678 /nfs/dbraw/zinc/18/76/78/572187678.db2.gz RULMJULFPUPZHQ-XMHGGMMESA-N -1 0 565.424 5.404 40 10 KKCBRM Cc1nn(Cc2ccccc2Cl)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O ZINC000408535910 572189622 /nfs/dbraw/zinc/18/96/22/572189622.db2.gz UOJSXCDRAPIIBI-NDENLUEZSA-N -1 0 512.839 5.991 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408536144 572190037 /nfs/dbraw/zinc/19/00/37/572190037.db2.gz PXVAUPIIAHCXQG-BOPFTXTBSA-N -1 0 618.209 5.245 40 10 KKCBRM COc1cc(S(=O)(=O)N2CCCCC2)ccc1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000408536270 572190674 /nfs/dbraw/zinc/19/06/74/572190674.db2.gz VQDJDBRZQVOYIU-ANYBSYGZSA-N -1 0 588.774 6.056 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408536366 572191142 /nfs/dbraw/zinc/19/11/42/572191142.db2.gz RDPWSSUIRJBXSG-MLUQCUIJSA-N -1 0 642.833 5.629 40 10 KKCBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408536513 572191167 /nfs/dbraw/zinc/19/11/67/572191167.db2.gz WQHGMRNBODEQKA-LFVJCYFKSA-N -1 0 591.506 5.768 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408536539 572191824 /nfs/dbraw/zinc/19/18/24/572191824.db2.gz RVVHLUXRNHIENR-UDWIEESQSA-N -1 0 603.347 5.752 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408536869 572192666 /nfs/dbraw/zinc/19/26/66/572192666.db2.gz BOGIMZDXKDHIGX-CEUNXORHSA-N -1 0 650.684 6.095 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408536974 572192805 /nfs/dbraw/zinc/19/28/05/572192805.db2.gz UFBKWNSSFQRZKD-VIBAAIGISA-N -1 0 630.329 5.661 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408536854 572192832 /nfs/dbraw/zinc/19/28/32/572192832.db2.gz SUAASMSBTRHPFT-LSCVHKIXSA-N -1 0 669.109 6.413 40 10 KKCBRM Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408537360 572194155 /nfs/dbraw/zinc/19/41/55/572194155.db2.gz VMMUKHMAIRRACJ-MOSHPQCFSA-N -1 0 584.220 5.406 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537673 572195745 /nfs/dbraw/zinc/19/57/45/572195745.db2.gz GTDLDJFGCXKRFP-NTFVMDSBSA-N -1 0 685.571 7.298 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537927 572196432 /nfs/dbraw/zinc/19/64/32/572196432.db2.gz IDOFEJSVRIGXNN-CVKSISIWSA-N -1 0 736.413 7.443 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408537946 572196502 /nfs/dbraw/zinc/19/65/02/572196502.db2.gz IKKAGAYVNZMCDQ-QFEZKATASA-N -1 0 695.983 8.269 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537931 572196515 /nfs/dbraw/zinc/19/65/15/572196515.db2.gz IEJXXRZSVSMTBY-CVKSISIWSA-N -1 0 675.507 6.820 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408537902 572196558 /nfs/dbraw/zinc/19/65/58/572196558.db2.gz HWZCADYYUAAFQI-PKAZHMFMSA-N -1 0 550.567 5.225 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408538053 572196790 /nfs/dbraw/zinc/19/67/90/572196790.db2.gz YSOTZLNDVMRACW-NDENLUEZSA-N -1 0 598.247 5.714 40 10 KKCBRM Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408538233 572197611 /nfs/dbraw/zinc/19/76/11/572197611.db2.gz ZKJUDZDHCZWHDC-NDENLUEZSA-N -1 0 573.321 5.662 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408538421 572198043 /nfs/dbraw/zinc/19/80/43/572198043.db2.gz MPTLJSVKONYQGW-DHDCSXOGSA-N -1 0 530.235 6.926 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538456 572198051 /nfs/dbraw/zinc/19/80/51/572198051.db2.gz NCKLTFDBLJKLFL-DICXZTSXSA-N -1 0 734.441 8.052 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)cc3)C2=O)cc1 ZINC000408538535 572198478 /nfs/dbraw/zinc/19/84/78/572198478.db2.gz OLHBJUWURHBTIW-VUTHCHCSSA-N -1 0 578.621 5.918 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538745 572199672 /nfs/dbraw/zinc/19/96/72/572199672.db2.gz QCBGYDKWGXYRKN-OYKKKHCWSA-N -1 0 633.484 6.835 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538718 572199693 /nfs/dbraw/zinc/19/96/93/572199693.db2.gz PRSREABAQHCLBT-NVMPUMLXSA-N -1 0 719.588 7.861 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538881 572199834 /nfs/dbraw/zinc/19/98/34/572199834.db2.gz QXFAJVZKEBWHMB-WPWMEQJKSA-N -1 0 596.611 6.057 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538904 572200021 /nfs/dbraw/zinc/20/00/21/572200021.db2.gz RDCRKRHPJISCNZ-UHFFFAOYSA-N -1 0 630.289 5.518 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538886 572200060 /nfs/dbraw/zinc/20/00/60/572200060.db2.gz QYHVVEXMVQFKLY-RRAHZORUSA-N -1 0 606.631 5.696 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(Br)c3)C2=O)cc1OCC ZINC000408539062 572200483 /nfs/dbraw/zinc/20/04/83/572200483.db2.gz FAUSOMYKFSYAHN-OGLMXYFKSA-N -1 0 808.520 8.622 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539136 572201089 /nfs/dbraw/zinc/20/10/89/572201089.db2.gz UBLREFVEOWZDIK-YUMHPJSZSA-N -1 0 661.538 7.615 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408539421 572201967 /nfs/dbraw/zinc/20/19/67/572201967.db2.gz HJBGKNRMPKXFQU-RDRPBHBLSA-N -1 0 715.199 7.759 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539820 572203666 /nfs/dbraw/zinc/20/36/66/572203666.db2.gz ZDUSMPMCXFTNIX-JFLMPSFJSA-N -1 0 675.565 7.924 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000408540292 572205066 /nfs/dbraw/zinc/20/50/66/572205066.db2.gz PRHJOGFPAVIBSN-USHMODERSA-N -1 0 657.119 6.970 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540525 572206114 /nfs/dbraw/zinc/20/61/14/572206114.db2.gz SVSPOEMICAXIAM-OYKKKHCWSA-N -1 0 647.511 7.143 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000408540726 572206578 /nfs/dbraw/zinc/20/65/78/572206578.db2.gz VMIUBMIIFFKENM-XHLNEMQHSA-N -1 0 636.701 6.707 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000408550368 572233882 /nfs/dbraw/zinc/23/38/82/572233882.db2.gz DDMDBXXMIVSFCY-FYJGNVAPSA-N -1 0 642.492 5.873 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550359 572233899 /nfs/dbraw/zinc/23/38/99/572233899.db2.gz DCNCQFNVHFIJSI-RZNTYIFUSA-N -1 0 737.015 7.509 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550426 572234268 /nfs/dbraw/zinc/23/42/68/572234268.db2.gz DWCCTDQCZRZWKI-WQRHYEAKSA-N -1 0 602.858 6.038 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550614 572234623 /nfs/dbraw/zinc/23/46/23/572234623.db2.gz FRPBNJRWJYSSCK-GIJQJNRQSA-N -1 0 698.272 5.820 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550616 572234629 /nfs/dbraw/zinc/23/46/29/572234629.db2.gz FRULYGPSKMEUAQ-PXNMLYILSA-N -1 0 609.249 5.993 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550876 572234980 /nfs/dbraw/zinc/23/49/80/572234980.db2.gz HVQHXJJXUOOURK-APSNUPSMSA-N -1 0 702.172 7.145 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550783 572235027 /nfs/dbraw/zinc/23/50/27/572235027.db2.gz HFEDRRSEQVBYBC-SOFYXZRVSA-N -1 0 624.220 5.892 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000408551106 572235296 /nfs/dbraw/zinc/23/52/96/572235296.db2.gz BEWWEWPARWTXHW-ODLFYWEKSA-N -1 0 632.884 6.128 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551009 572235396 /nfs/dbraw/zinc/23/53/96/572235396.db2.gz IXYLQNJMXIEBRC-ODLFYWEKSA-N -1 0 588.831 5.729 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408551302 572235753 /nfs/dbraw/zinc/23/57/53/572235753.db2.gz JZLSOXYCZNSQBY-ODLFYWEKSA-N -1 0 544.778 5.331 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551321 572235759 /nfs/dbraw/zinc/23/57/59/572235759.db2.gz KBXUPSYSKQMCIS-UNOMPAQXSA-N -1 0 554.386 5.076 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551404 572236241 /nfs/dbraw/zinc/23/62/41/572236241.db2.gz KQPMVIZXJIZYNI-JMIUGGIZSA-N -1 0 708.336 6.297 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408552091 572237858 /nfs/dbraw/zinc/23/78/58/572237858.db2.gz OAEANURQCHPJDA-PXNMLYILSA-N -1 0 668.125 6.202 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408552950 572239536 /nfs/dbraw/zinc/23/95/36/572239536.db2.gz LXUGLFHNCIMEQW-CAOOACKPSA-N -1 0 623.674 6.093 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000408553020 572239763 /nfs/dbraw/zinc/23/97/63/572239763.db2.gz ULONZGWBPLAPAP-RGVLZGJSSA-N -1 0 768.388 6.478 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553019 572239771 /nfs/dbraw/zinc/23/97/71/572239771.db2.gz ULEOTDZAEZPXSC-MFOYZWKCSA-N -1 0 623.276 6.383 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408553033 572239813 /nfs/dbraw/zinc/23/98/13/572239813.db2.gz URYNMJNBXAWYKZ-MFOYZWKCSA-N -1 0 579.223 5.984 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000408553302 572240238 /nfs/dbraw/zinc/24/02/38/572240238.db2.gz NRALMKJXYWMTRV-WQRHYEAKSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000408553773 572241244 /nfs/dbraw/zinc/24/12/44/572241244.db2.gz PLYWJSQAFWURNT-VXLYETTFSA-N -1 0 558.805 5.639 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554160 572241769 /nfs/dbraw/zinc/24/17/69/572241769.db2.gz ZVXPGALSHXPNQW-CAOOACKPSA-N -1 0 745.151 6.053 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408555278 572242818 /nfs/dbraw/zinc/24/28/18/572242818.db2.gz WTGQNIUKDKLLGA-FYJGNVAPSA-N -1 0 691.362 6.627 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408588831 572267097 /nfs/dbraw/zinc/26/70/97/572267097.db2.gz ZHOHAJLUSYQJRR-UHFFFAOYSA-N -1 0 535.021 5.941 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])n[nH]1 ZINC000408630524 572286285 /nfs/dbraw/zinc/28/62/85/572286285.db2.gz BAFWASUDDMBDPU-NKVSQWTQSA-N -1 0 533.412 6.552 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)n3CC)C(=O)[O-])c2C)cc1 ZINC000408631071 572286959 /nfs/dbraw/zinc/28/69/59/572286959.db2.gz BUSIHXMWRNFGEH-JLPGSUDCSA-N -1 0 551.068 6.420 40 10 KKCBRM Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000408635026 572292060 /nfs/dbraw/zinc/29/20/60/572292060.db2.gz WVAQPDJXZBCJKP-NDENLUEZSA-N -1 0 516.360 6.058 40 10 KKCBRM CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OC ZINC000096193388 1069689024 /nfs/dbraw/zinc/68/90/24/1069689024.db2.gz KZRXQHNOFNCCLN-SXGWCWSVSA-N -1 0 521.795 5.794 40 10 KKCBRM COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)c1OCc1ccccc1Cl ZINC000096193373 1069689196 /nfs/dbraw/zinc/68/91/96/1069689196.db2.gz VLQXMGOEEDGNPU-UNOMPAQXSA-N -1 0 511.361 6.085 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OC ZINC000108422862 1069716733 /nfs/dbraw/zinc/71/67/33/1069716733.db2.gz CVNROQUITALEHZ-NVNXTCNLSA-N -1 0 554.768 5.246 40 10 KKCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br ZINC000408752637 1069737553 /nfs/dbraw/zinc/73/75/53/1069737553.db2.gz FQYWKRSNDKWIMO-NTUHNPAUSA-N -1 0 542.611 5.239 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408773498 1069739855 /nfs/dbraw/zinc/73/98/55/1069739855.db2.gz RBTAOLDTMNQIKE-CIAFOILYSA-N -1 0 550.365 5.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408817027 1069743119 /nfs/dbraw/zinc/74/31/19/1069743119.db2.gz STJJKKIHVWFUBJ-DJKKODMXSA-N -1 0 651.284 6.469 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)c1 ZINC000408809416 1069742612 /nfs/dbraw/zinc/74/26/12/1069742612.db2.gz LESWTNJPMQMSQQ-PCLIKHOPSA-N -1 0 510.977 6.355 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408819621 1069743404 /nfs/dbraw/zinc/74/34/04/1069743404.db2.gz ZSDHXHFSRXBWMB-OEAKJJBVSA-N -1 0 596.264 7.155 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408868779 1069748096 /nfs/dbraw/zinc/74/80/96/1069748096.db2.gz BGYOXCSVLRCDGI-ZVHZXABRSA-N -1 0 608.476 6.181 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000408893414 1069751459 /nfs/dbraw/zinc/75/14/59/1069751459.db2.gz BPPNSHTZMDDWBP-MFOYZWKCSA-N -1 0 594.676 6.963 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409027099 1069768880 /nfs/dbraw/zinc/76/88/80/1069768880.db2.gz YYVLWLSWCOLVBN-VXLYETTFSA-N -1 0 601.207 5.365 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092974 1069777696 /nfs/dbraw/zinc/77/76/96/1069777696.db2.gz YHCVRFXJDWWCLZ-LICLKQGHSA-N -1 0 561.856 5.734 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409133960 1069785459 /nfs/dbraw/zinc/78/54/59/1069785459.db2.gz OCWLKJAKDANOIQ-CIAFOILYSA-N -1 0 649.505 5.229 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c2c1 ZINC000408770810 1069870015 /nfs/dbraw/zinc/87/00/15/1069870015.db2.gz AVPCQPGHWWKGDP-KGENOOAVSA-N -1 0 525.424 5.231 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408770759 1069870281 /nfs/dbraw/zinc/87/02/81/1069870281.db2.gz CCQXEDVSBRYEBR-OEAKJJBVSA-N -1 0 514.925 5.226 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408771287 1069870955 /nfs/dbraw/zinc/87/09/55/1069870955.db2.gz GNRIDHZUNPKBHY-SRZZPIQSSA-N -1 0 708.290 5.767 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(I)cc3)C2=O)cc1 ZINC000408769277 1069875558 /nfs/dbraw/zinc/87/55/58/1069875558.db2.gz QJCXXGVFMQZMGZ-FYJGNVAPSA-N -1 0 617.237 5.608 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408776087 1069880670 /nfs/dbraw/zinc/88/06/70/1069880670.db2.gz NBVXSZVXOPTULK-JFLMPSFJSA-N -1 0 574.464 6.955 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408776106 1069881130 /nfs/dbraw/zinc/88/11/30/1069881130.db2.gz LUPOOVPLERZGEU-WSDLNYQXSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408772887 1069885792 /nfs/dbraw/zinc/88/57/92/1069885792.db2.gz ISRJGRBBXYCGCO-CIAFOILYSA-N -1 0 580.391 5.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408773304 1069886282 /nfs/dbraw/zinc/88/62/82/1069886282.db2.gz HZJMZLOIJGEGMU-ZVHZXABRSA-N -1 0 526.976 6.056 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)c1 ZINC000408772681 1069884537 /nfs/dbraw/zinc/88/45/37/1069884537.db2.gz FDBURHVXUHCTMV-VXLYETTFSA-N -1 0 529.807 6.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408773434 1069887222 /nfs/dbraw/zinc/88/72/22/1069887222.db2.gz QLXWZENHUOKSBW-VXLYETTFSA-N -1 0 633.782 5.107 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408773475 1069887306 /nfs/dbraw/zinc/88/73/06/1069887306.db2.gz QUUCSJXFQWYXAJ-OKCVXOCRSA-N -1 0 565.739 6.402 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408773655 1069888217 /nfs/dbraw/zinc/88/82/17/1069888217.db2.gz SPDHLVSOWOSGSS-LPYMAVHISA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408775545 1069893670 /nfs/dbraw/zinc/89/36/70/1069893670.db2.gz IBHNBMBSMDDNBV-VXLYETTFSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408777717 1069895019 /nfs/dbraw/zinc/89/50/19/1069895019.db2.gz GVSOWTKDGZMPJJ-UFFVCSGVSA-N -1 0 618.311 7.017 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1C1CCCC1 ZINC000408777249 1069895113 /nfs/dbraw/zinc/89/51/13/1069895113.db2.gz XGTKPYKVQOXISK-RWPZCVJISA-N -1 0 511.666 6.354 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408778355 1069897233 /nfs/dbraw/zinc/89/72/33/1069897233.db2.gz FCZJCEAKVVFLBA-YDZHTSKRSA-N -1 0 575.846 6.810 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408778580 1069897496 /nfs/dbraw/zinc/89/74/96/1069897496.db2.gz HRWAGPMUTFHCES-KEBDBYFISA-N -1 0 579.403 5.130 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408778959 1069899103 /nfs/dbraw/zinc/89/91/03/1069899103.db2.gz NPFSSDPFSQUXFU-YBFXNURJSA-N -1 0 665.311 6.859 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408779765 1069901300 /nfs/dbraw/zinc/90/13/00/1069901300.db2.gz KCTJQTGOWAWVAX-RGVLZGJSSA-N -1 0 614.290 6.082 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408779944 1069902171 /nfs/dbraw/zinc/90/21/71/1069902171.db2.gz OEVHTSFFWZLFOI-RGVLZGJSSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408781263 1069903119 /nfs/dbraw/zinc/90/31/19/1069903119.db2.gz BBEAAZAJFNGNRE-CIAFOILYSA-N -1 0 525.388 5.946 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408782906 1069908201 /nfs/dbraw/zinc/90/82/01/1069908201.db2.gz KJGYGOHGEXWSKL-RGVLZGJSSA-N -1 0 600.384 5.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408783119 1069909134 /nfs/dbraw/zinc/90/91/34/1069909134.db2.gz KGKYQCAZLAEXNQ-RGVLZGJSSA-N -1 0 728.708 6.193 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccccc1 ZINC000408784671 1069912146 /nfs/dbraw/zinc/91/21/46/1069912146.db2.gz RORLFTJCHVXBRV-XDHOZWIPSA-N -1 0 536.968 5.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408785914 1069915517 /nfs/dbraw/zinc/91/55/17/1069915517.db2.gz JSICRQDGDPKVNG-VXLYETTFSA-N -1 0 709.234 5.358 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408785775 1069915001 /nfs/dbraw/zinc/91/50/01/1069915001.db2.gz ZDBOCBPJAYGQJR-VXLYETTFSA-N -1 0 636.749 6.284 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408787232 1069923734 /nfs/dbraw/zinc/92/37/34/1069923734.db2.gz VJXVHOFSLXXUMK-HYARGMPZSA-N -1 0 504.970 5.601 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408794715 1069927304 /nfs/dbraw/zinc/92/73/04/1069927304.db2.gz BCCGBPYWSKNEQY-MFKUBSTISA-N -1 0 569.057 7.063 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408797285 1069932374 /nfs/dbraw/zinc/93/23/74/1069932374.db2.gz CEUBVIUUGYMHJV-CXUHLZMHSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408797994 1069932884 /nfs/dbraw/zinc/93/28/84/1069932884.db2.gz HOLJGHCOVOGCMF-HYARGMPZSA-N -1 0 519.395 5.620 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408798838 1069933768 /nfs/dbraw/zinc/93/37/68/1069933768.db2.gz FXXMZXNPPASMHU-YBFXNURJSA-N -1 0 633.236 5.308 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408799293 1069934358 /nfs/dbraw/zinc/93/43/58/1069934358.db2.gz KDVASWCDLPSDSG-KEBDBYFISA-N -1 0 665.311 6.859 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408800497 1069936954 /nfs/dbraw/zinc/93/69/54/1069936954.db2.gz NAUDYBFZHGPPRQ-KEBDBYFISA-N -1 0 600.809 5.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408800683 1069937233 /nfs/dbraw/zinc/93/72/33/1069937233.db2.gz QPCUQAAUPAQJNQ-VCHYOVAHSA-N -1 0 545.806 6.291 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408801530 1069939515 /nfs/dbraw/zinc/93/95/15/1069939515.db2.gz UOZKJTRIIDSCTM-CIAFOILYSA-N -1 0 508.933 5.432 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408801475 1069939580 /nfs/dbraw/zinc/93/95/80/1069939580.db2.gz TZBKJWJBINKGBK-ZMOGYAJESA-N -1 0 633.926 7.517 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)cc1C ZINC000408801768 1069940314 /nfs/dbraw/zinc/94/03/14/1069940314.db2.gz VRDWRFUXHNKTDD-BUVRLJJBSA-N -1 0 545.422 7.009 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1 ZINC000408801990 1069941236 /nfs/dbraw/zinc/94/12/36/1069941236.db2.gz XPDFTCGDWRFLBR-RGVLZGJSSA-N -1 0 539.813 5.965 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408806383 1069941727 /nfs/dbraw/zinc/94/17/27/1069941727.db2.gz IZEGJQYVFPUARD-WPWMEQJKSA-N -1 0 556.977 6.304 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408806523 1069941795 /nfs/dbraw/zinc/94/17/95/1069941795.db2.gz FBZQXPHNIWHVBN-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408806889 1069942551 /nfs/dbraw/zinc/94/25/51/1069942551.db2.gz CCBMCMLUIXSYNP-WOJGMQOQSA-N -1 0 545.806 6.291 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000408806970 1069942570 /nfs/dbraw/zinc/94/25/70/1069942570.db2.gz NTYFUOQRKAYGMD-XDHOZWIPSA-N -1 0 574.258 6.618 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408807145 1069943340 /nfs/dbraw/zinc/94/33/40/1069943340.db2.gz GIOCHXAUABNAHJ-LICLKQGHSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408802259 1069944358 /nfs/dbraw/zinc/94/43/58/1069944358.db2.gz XWYKEZARHWFNCY-CIAFOILYSA-N -1 0 541.387 5.646 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408807296 1069944376 /nfs/dbraw/zinc/94/43/76/1069944376.db2.gz GXOBKAKLAHUKQR-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408802673 1069945815 /nfs/dbraw/zinc/94/58/15/1069945815.db2.gz FZJPJNIFEMAIAN-FYJGNVAPSA-N -1 0 535.394 5.402 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408802572 1069944902 /nfs/dbraw/zinc/94/49/02/1069944902.db2.gz YXCURMHBPNZTJP-CIAFOILYSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc32)C1=O ZINC000408803398 1069947685 /nfs/dbraw/zinc/94/76/85/1069947685.db2.gz OLAJDMVVGFGJIC-BUVRLJJBSA-N -1 0 531.395 6.700 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408803456 1069947695 /nfs/dbraw/zinc/94/76/95/1069947695.db2.gz PCXJDMPIQMREGY-UDWIEESQSA-N -1 0 527.758 5.054 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408803799 1069948149 /nfs/dbraw/zinc/94/81/49/1069948149.db2.gz AOIQLPGBDNCANH-GIJQJNRQSA-N -1 0 637.257 6.160 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408804297 1069950162 /nfs/dbraw/zinc/95/01/62/1069950162.db2.gz XEOMAYHZJPIJIR-YBFXNURJSA-N -1 0 614.836 5.963 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1Cl ZINC000408805752 1069954421 /nfs/dbraw/zinc/95/44/21/1069954421.db2.gz LHPDRPZDFARJMC-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408808350 1069958911 /nfs/dbraw/zinc/95/89/11/1069958911.db2.gz FQFQQCDWVKIQND-RGVLZGJSSA-N -1 0 556.756 5.256 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC(C)C ZINC000408808720 1069960733 /nfs/dbraw/zinc/96/07/33/1069960733.db2.gz FTVDRPWHVYXTDM-VGOFMYFVSA-N -1 0 542.213 5.608 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)c(C)c1 ZINC000408808548 1069959663 /nfs/dbraw/zinc/95/96/63/1069959663.db2.gz MMZNQIZWIWQQQP-FYJGNVAPSA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408810051 1069963004 /nfs/dbraw/zinc/96/30/04/1069963004.db2.gz IVRYRCZQBPZAQC-CIAFOILYSA-N -1 0 675.317 6.315 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408809930 1069963072 /nfs/dbraw/zinc/96/30/72/1069963072.db2.gz HSMADNIISVONGJ-YBFXNURJSA-N -1 0 616.839 5.815 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408811847 1069966835 /nfs/dbraw/zinc/96/68/35/1069966835.db2.gz OKWZMOOEUKQRHO-KEBDBYFISA-N -1 0 569.839 5.973 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408815328 1069969386 /nfs/dbraw/zinc/96/93/86/1069969386.db2.gz QBWUNMVEQVQENA-DJKKODMXSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408815657 1069970903 /nfs/dbraw/zinc/97/09/03/1069970903.db2.gz SWRNPLRNWOLTEZ-FYJGNVAPSA-N -1 0 511.361 5.638 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)c1 ZINC000408816658 1069973100 /nfs/dbraw/zinc/97/31/00/1069973100.db2.gz RYUQNHYYSARPGH-UDWIEESQSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408817060 1069973906 /nfs/dbraw/zinc/97/39/06/1069973906.db2.gz ZPMKAEIZYKCBGP-KOEQRZSOSA-N -1 0 506.558 5.792 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408817294 1069974015 /nfs/dbraw/zinc/97/40/15/1069974015.db2.gz VVSJCOBXQUAWJO-CJLVFECKSA-N -1 0 633.557 7.260 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408818419 1069977098 /nfs/dbraw/zinc/97/70/98/1069977098.db2.gz VKJCZZMDZLYOSG-STBIYBPSSA-N -1 0 611.094 7.180 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408822360 1069982713 /nfs/dbraw/zinc/98/27/13/1069982713.db2.gz LUFJLSWCLXOCBM-LQKURTRISA-N -1 0 597.067 6.790 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408822299 1069982517 /nfs/dbraw/zinc/98/25/17/1069982517.db2.gz LLOBCRMMOFKTRS-RWPZCVJISA-N -1 0 767.414 7.504 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408814545 1069981396 /nfs/dbraw/zinc/98/13/96/1069981396.db2.gz ROSPWRHCKWKFNF-PCLIKHOPSA-N -1 0 510.977 6.355 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(C)c4)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408822520 1069983699 /nfs/dbraw/zinc/98/36/99/1069983699.db2.gz CCUUUTAONNSVKG-OEAKJJBVSA-N -1 0 557.002 6.064 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408822825 1069984197 /nfs/dbraw/zinc/98/41/97/1069984197.db2.gz CCKXBXSOMWFWBD-JFLMPSFJSA-N -1 0 618.429 6.726 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2Cl)cc1C ZINC000408822938 1069984273 /nfs/dbraw/zinc/98/42/73/1069984273.db2.gz CVZAPYRRSRDECG-GRSHGNNSSA-N -1 0 563.359 6.874 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000408822312 1069982800 /nfs/dbraw/zinc/98/28/00/1069982800.db2.gz LNTLWZMNJOJVST-OGLMXYFKSA-N -1 0 598.011 6.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408824111 1069990745 /nfs/dbraw/zinc/99/07/45/1069990745.db2.gz HAMSJBLZLRYQKZ-GIJQJNRQSA-N -1 0 616.410 5.563 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408824019 1069990832 /nfs/dbraw/zinc/99/08/32/1069990832.db2.gz GOGSQPYKAMVWFZ-XCFWDINBSA-N -1 0 774.715 9.725 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408821475 1069997556 /nfs/dbraw/zinc/99/75/56/1069997556.db2.gz HXURCZAJQWFWEU-ITWCPLIFSA-N -1 0 758.702 9.515 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408820926 1069995410 /nfs/dbraw/zinc/99/54/10/1069995410.db2.gz AOJPJOMJUDZRCS-SWIRUNBASA-N -1 0 850.153 9.466 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408821719 1069998411 /nfs/dbraw/zinc/99/84/11/1069998411.db2.gz AJZVYYMFTIUCKE-ICRUSFEGSA-N -1 0 675.785 7.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408822209 1070001500 /nfs/dbraw/zinc/00/15/00/1070001500.db2.gz BOJDXUJUTZSLDA-OGLMXYFKSA-N -1 0 692.382 9.278 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408827775 1070007429 /nfs/dbraw/zinc/00/74/29/1070007429.db2.gz MGAZLJURYFSZGV-CVKSISIWSA-N -1 0 652.328 7.580 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408827734 1070007593 /nfs/dbraw/zinc/00/75/93/1070007593.db2.gz MOBUTZSVSYWYCP-LGJNPRDNSA-N -1 0 741.378 7.887 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1C ZINC000408827625 1070007734 /nfs/dbraw/zinc/00/77/34/1070007734.db2.gz LOSMKIDCIZYGNY-UZWMFBFFSA-N -1 0 617.101 7.934 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408827122 1070005671 /nfs/dbraw/zinc/00/56/71/1070005671.db2.gz CKQYIZRWOJVRCX-UUYOSTAYSA-N -1 0 720.869 7.761 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000408827454 1070006965 /nfs/dbraw/zinc/00/69/65/1070006965.db2.gz JRYDQLYUDGGEHA-JQTKYWOZSA-N -1 0 609.729 5.103 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1Cl ZINC000408827953 1070008373 /nfs/dbraw/zinc/00/83/73/1070008373.db2.gz VLKSYKYQUMQNER-LPYMAVHISA-N -1 0 569.839 6.135 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OC ZINC000408825265 1070012459 /nfs/dbraw/zinc/01/24/59/1070012459.db2.gz AZOJCRSCDVWEGW-SDQBBNPISA-N -1 0 503.260 5.086 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1Br ZINC000408825063 1070011377 /nfs/dbraw/zinc/01/13/77/1070011377.db2.gz RFMOECKCBJQWAR-VSXUNDGWSA-N -1 0 676.611 7.780 40 10 KKCBRM Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408825465 1070013373 /nfs/dbraw/zinc/01/33/73/1070013373.db2.gz DHZYDQPKHXOMEP-ASZNLBCTSA-N -1 0 594.718 5.041 40 10 KKCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408830123 1070017216 /nfs/dbraw/zinc/01/72/16/1070017216.db2.gz YBOHTPMZOVXPOQ-FYJGNVAPSA-N -1 0 586.236 5.466 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408829018 1070015250 /nfs/dbraw/zinc/01/52/50/1070015250.db2.gz MRQYNENUELSNTO-UXHLAJHPSA-N -1 0 773.023 8.629 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408831227 1070020290 /nfs/dbraw/zinc/02/02/90/1070020290.db2.gz QIGUUZBGFLHUOQ-OCSSWDANSA-N -1 0 711.996 8.397 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccccc4OCc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000408831621 1070021331 /nfs/dbraw/zinc/02/13/31/1070021331.db2.gz ZWOOKAFXYMXVQT-MTDXEUNCSA-N -1 0 553.014 6.473 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc(C)c(C)c5)cc4)C3=O)cc2)cc1 ZINC000408836342 1070026648 /nfs/dbraw/zinc/02/66/48/1070026648.db2.gz QETWBRUKSZNFKV-ZCTHSVRISA-N -1 0 546.623 6.436 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OC(C)C ZINC000408832804 1070024364 /nfs/dbraw/zinc/02/43/64/1070024364.db2.gz RKLQMLWJOLZXHE-WSDLNYQXSA-N -1 0 555.414 6.035 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408832833 1070024729 /nfs/dbraw/zinc/02/47/29/1070024729.db2.gz RUZPSZHZRNEPHV-LQKURTRISA-N -1 0 689.990 7.942 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408828366 1070025027 /nfs/dbraw/zinc/02/50/27/1070025027.db2.gz DTPTVGLPTPIQQU-KGLXTQNGSA-N -1 0 739.872 9.362 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408833079 1070025078 /nfs/dbraw/zinc/02/50/78/1070025078.db2.gz SUVULZBUODTQHR-GROJXTRYSA-N -1 0 753.899 9.670 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408832943 1070025462 /nfs/dbraw/zinc/02/54/62/1070025462.db2.gz SFOYIABMGZAYNG-QEVYWNJUSA-N -1 0 744.291 9.925 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408833659 1070031687 /nfs/dbraw/zinc/03/16/87/1070031687.db2.gz UIYPTGUHNIOLMN-VULFUBBASA-N -1 0 642.322 8.125 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408835300 1070036771 /nfs/dbraw/zinc/03/67/71/1070036771.db2.gz XDRMHNUAJJXCBB-FDWWRCIYSA-N -1 0 724.655 8.572 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408834618 1070034130 /nfs/dbraw/zinc/03/41/30/1070034130.db2.gz UTCZCICZBXILHY-JFLMPSFJSA-N -1 0 706.387 7.353 40 10 KKCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408834830 1070035110 /nfs/dbraw/zinc/03/51/10/1070035110.db2.gz MJCWZISHGRUBLJ-MUACTJOFSA-N -1 0 569.661 6.239 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408835224 1070037180 /nfs/dbraw/zinc/03/71/80/1070037180.db2.gz NMAJHXAXOFPNNS-MFKUBSTISA-N -1 0 637.903 7.480 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2Br)c1 ZINC000408835850 1070039133 /nfs/dbraw/zinc/03/91/33/1070039133.db2.gz ZMYBKGLKGAWOMV-WGOQTCKBSA-N -1 0 631.910 7.235 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408836105 1070039648 /nfs/dbraw/zinc/03/96/48/1070039648.db2.gz ZEULLGMXYYMYIP-URFBEJBISA-N -1 0 714.649 9.116 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408836094 1070039850 /nfs/dbraw/zinc/03/98/50/1070039850.db2.gz ZCTYZCPWMNUQFD-JFLMPSFJSA-N -1 0 651.930 7.870 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408835737 1070038254 /nfs/dbraw/zinc/03/82/54/1070038254.db2.gz ZETCHIBOAXMZMY-JURCGOKASA-N -1 0 759.906 10.424 40 10 KKCBRM CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)[O-])c5)c4C)c(=O)n32)cc1 ZINC000408838188 1070047607 /nfs/dbraw/zinc/04/76/07/1070047607.db2.gz SHIMKUBDXYHOOU-UTAOYMJKSA-N -1 0 632.742 5.378 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408844057 1070049546 /nfs/dbraw/zinc/04/95/46/1070049546.db2.gz GRJLNXXJRCHJIO-PLRJNAJWSA-N -1 0 594.523 7.949 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408844038 1070049689 /nfs/dbraw/zinc/04/96/89/1070049689.db2.gz ICEYDTSLIJCCRB-CIAFOILYSA-N -1 0 522.960 5.740 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408844636 1070050197 /nfs/dbraw/zinc/05/01/97/1070050197.db2.gz ICYMLFJCAMKHCD-OQLLNIDSSA-N -1 0 567.267 6.134 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408844728 1070050935 /nfs/dbraw/zinc/05/09/35/1070050935.db2.gz CYJRVVZDCBCQIK-IBBHUPRXSA-N -1 0 834.492 8.762 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1C ZINC000408845506 1070051900 /nfs/dbraw/zinc/05/19/00/1070051900.db2.gz FYSLNESUROWSJJ-KEBDBYFISA-N -1 0 710.160 6.678 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408845416 1070051943 /nfs/dbraw/zinc/05/19/43/1070051943.db2.gz GTERUCHDVSZQLM-NDENLUEZSA-N -1 0 642.358 7.328 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1C ZINC000408846510 1070054018 /nfs/dbraw/zinc/05/40/18/1070054018.db2.gz NTADAUJLDMNIMQ-LDADJPATSA-N -1 0 542.444 5.327 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408847966 1070056142 /nfs/dbraw/zinc/05/61/42/1070056142.db2.gz OPESZEUEJHCGAA-SRZZPIQSSA-N -1 0 614.290 6.082 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000408852862 1070060218 /nfs/dbraw/zinc/06/02/18/1070060218.db2.gz WNOCHOHURBQYGR-RIYZIHGNSA-N -1 0 753.158 6.752 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1C ZINC000408849361 1070062093 /nfs/dbraw/zinc/06/20/93/1070062093.db2.gz WHIUKNMSPDHQHT-ZMOGYAJESA-N -1 0 728.324 6.911 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(I)c1 ZINC000408851870 1070058921 /nfs/dbraw/zinc/05/89/21/1070058921.db2.gz GVXVEINILMTSOO-OQLLNIDSSA-N -1 0 688.168 6.771 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)c1 ZINC000408849925 1070063302 /nfs/dbraw/zinc/06/33/02/1070063302.db2.gz BBMIGIVJLXOTQP-ZVHZXABRSA-N -1 0 741.376 7.250 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1C ZINC000408850990 1070064996 /nfs/dbraw/zinc/06/49/96/1070064996.db2.gz SYDCLVUFNYNSPA-KEBDBYFISA-N -1 0 584.810 5.873 40 10 KKCBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408851267 1070065650 /nfs/dbraw/zinc/06/56/50/1070065650.db2.gz XBVLVGSJIKXVSH-ZVBGSRNCSA-N -1 0 614.334 6.354 40 10 KKCBRM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000408857815 1070069078 /nfs/dbraw/zinc/06/90/78/1070069078.db2.gz WRJWIBYUYKRAOY-GXDHUFHOSA-N -1 0 518.334 5.002 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408856920 1070067766 /nfs/dbraw/zinc/06/77/66/1070067766.db2.gz MHYIXCIPKJTCSE-WSDLNYQXSA-N -1 0 671.260 6.591 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408854758 1070073210 /nfs/dbraw/zinc/07/32/10/1070073210.db2.gz AUJQKKYEFOSQKY-CPNJWEJPSA-N -1 0 554.886 6.790 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408865038 1070082424 /nfs/dbraw/zinc/08/24/24/1070082424.db2.gz ASWIACXYJBBQAI-YDZHTSKRSA-N -1 0 502.998 5.839 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408866456 1070085294 /nfs/dbraw/zinc/08/52/94/1070085294.db2.gz HKVVRADEUKCVKU-XYGWBWBKSA-N -1 0 569.057 7.008 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc4ccccc43)ccc3ccccc32)C1=O ZINC000408866466 1070085772 /nfs/dbraw/zinc/08/57/72/1070085772.db2.gz GVDYZHSQFOZJNJ-BRPDVVIDSA-N -1 0 526.592 6.801 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Br ZINC000408868807 1070090003 /nfs/dbraw/zinc/09/00/03/1070090003.db2.gz OXXPKRLENJQUHH-DEDYPNTBSA-N -1 0 619.107 6.231 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408870523 1070093839 /nfs/dbraw/zinc/09/38/39/1070093839.db2.gz GBXKSHFXOYCVDK-FYJGNVAPSA-N -1 0 523.358 5.244 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408871698 1070096107 /nfs/dbraw/zinc/09/61/07/1070096107.db2.gz ZGHFHUNKZGDTSQ-LPYMAVHISA-N -1 0 642.421 5.263 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408873534 1070099041 /nfs/dbraw/zinc/09/90/41/1070099041.db2.gz VOIGBHAJDCPQDO-ZVHZXABRSA-N -1 0 502.998 5.921 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000408873925 1070099779 /nfs/dbraw/zinc/09/97/79/1070099779.db2.gz XIRFUKHHZZOKEU-IWIPYMOSSA-N -1 0 585.454 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Cc1cccc(F)c1 ZINC000408874189 1070100813 /nfs/dbraw/zinc/10/08/13/1070100813.db2.gz ZGFZPFKGUIKQNF-YBFXNURJSA-N -1 0 548.195 6.152 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3Br)C2=O)cc1Cl ZINC000408879859 1070104903 /nfs/dbraw/zinc/10/49/03/1070104903.db2.gz HJEYWMUGKBBZNS-UDWIEESQSA-N -1 0 544.232 6.322 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408880278 1070106504 /nfs/dbraw/zinc/10/65/04/1070106504.db2.gz FWTBQMHNJSWKGM-CIAFOILYSA-N -1 0 553.384 5.253 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408875454 1070107400 /nfs/dbraw/zinc/10/74/00/1070107400.db2.gz FTBPQVIZXNSCTR-YVLHZVERSA-N -1 0 559.775 5.496 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408875506 1070107450 /nfs/dbraw/zinc/10/74/50/1070107450.db2.gz JJUNYBOQKVIRAA-YVLHZVERSA-N -1 0 606.775 5.338 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408875450 1070107489 /nfs/dbraw/zinc/10/74/89/1070107489.db2.gz FSQOJISPKPXEJY-WOJGMQOQSA-N -1 0 529.807 6.303 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Br)c1 ZINC000408876558 1070110350 /nfs/dbraw/zinc/11/03/50/1070110350.db2.gz MFKCJVHMUODCAU-YBFXNURJSA-N -1 0 619.107 6.231 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408877483 1070112067 /nfs/dbraw/zinc/11/20/67/1070112067.db2.gz RUWYVAMJVUHJMD-RGVLZGJSSA-N -1 0 537.385 5.471 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000408877758 1070112731 /nfs/dbraw/zinc/11/27/31/1070112731.db2.gz YHWFQLDGHJYCPZ-IWIPYMOSSA-N -1 0 632.454 6.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408878572 1070115126 /nfs/dbraw/zinc/11/51/26/1070115126.db2.gz APFUTAZAAAQMPB-ZVHZXABRSA-N -1 0 624.475 6.115 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408883842 1070117654 /nfs/dbraw/zinc/11/76/54/1070117654.db2.gz RGXOYDZKVZAAIE-CIAFOILYSA-N -1 0 597.849 5.545 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408884339 1070118453 /nfs/dbraw/zinc/11/84/53/1070118453.db2.gz UBRHQALTHYIQCN-VXLYETTFSA-N -1 0 604.682 6.131 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408885294 1070120891 /nfs/dbraw/zinc/12/08/91/1070120891.db2.gz YZOBHHZGAGMXDC-UYRXBGFRSA-N -1 0 509.331 5.142 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408886012 1070122391 /nfs/dbraw/zinc/12/23/91/1070122391.db2.gz CRSNBYIRFSDPHP-WPWMEQJKSA-N -1 0 738.556 6.011 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408881045 1070123373 /nfs/dbraw/zinc/12/33/73/1070123373.db2.gz LKNOUPJTOMTZRL-STZFKDTASA-N -1 0 535.358 6.531 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Br ZINC000408882937 1070127653 /nfs/dbraw/zinc/12/76/53/1070127653.db2.gz PQHRZUDYMOZLHY-ATVHPVEESA-N -1 0 574.200 5.596 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408888944 1070130752 /nfs/dbraw/zinc/13/07/52/1070130752.db2.gz CZECTZDNHSSDRR-DEDYPNTBSA-N -1 0 521.367 5.012 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)c1 ZINC000408888973 1070130994 /nfs/dbraw/zinc/13/09/94/1070130994.db2.gz DCQBGLMDHWHQSR-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408890259 1070132461 /nfs/dbraw/zinc/13/24/61/1070132461.db2.gz QLLTXOJUGGVQGP-KGENOOAVSA-N -1 0 583.822 5.525 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408890242 1070132549 /nfs/dbraw/zinc/13/25/49/1070132549.db2.gz QFOJFIONGUODNO-LDADJPATSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408886408 1070136283 /nfs/dbraw/zinc/13/62/83/1070136283.db2.gz GWKYFRBFOKCVBH-STBIYBPSSA-N -1 0 702.545 7.131 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408886734 1070136387 /nfs/dbraw/zinc/13/63/87/1070136387.db2.gz IOVNFMHVZPPJDR-WOJGMQOQSA-N -1 0 620.802 5.728 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408887628 1070138646 /nfs/dbraw/zinc/13/86/46/1070138646.db2.gz PUDFRAIPEWKHND-LFIBNONCSA-N -1 0 590.655 6.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408896957 1070139666 /nfs/dbraw/zinc/13/96/66/1070139666.db2.gz PFMVMDFOIBPLNZ-GIJQJNRQSA-N -1 0 545.806 6.209 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408894287 1070142871 /nfs/dbraw/zinc/14/28/71/1070142871.db2.gz HTXFHQYUXNSNAT-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408894573 1070143568 /nfs/dbraw/zinc/14/35/68/1070143568.db2.gz IJQTUKWJICOICP-XDHOZWIPSA-N -1 0 501.753 5.892 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408894556 1070143595 /nfs/dbraw/zinc/14/35/95/1070143595.db2.gz IPSDUFMDCWLPMY-UFFVCSGVSA-N -1 0 627.391 5.070 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)c(C)c1 ZINC000408894815 1070144447 /nfs/dbraw/zinc/14/44/47/1070144447.db2.gz JBNMMVNOWFJIKF-UDWIEESQSA-N -1 0 523.358 5.450 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000408896228 1070149172 /nfs/dbraw/zinc/14/91/72/1070149172.db2.gz QSMJIYNPQVNFES-YBFXNURJSA-N -1 0 545.400 5.044 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408891874 1070151704 /nfs/dbraw/zinc/15/17/04/1070151704.db2.gz DMHJGGMQTOISJY-LDADJPATSA-N -1 0 575.426 5.135 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408899303 1070156846 /nfs/dbraw/zinc/15/68/46/1070156846.db2.gz OFJXXCDUFVXXKL-UCQKPKSFSA-N -1 0 705.343 6.487 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408899776 1070160054 /nfs/dbraw/zinc/16/00/54/1070160054.db2.gz QGYKGUPGNWEYBM-HAHDFKILSA-N -1 0 594.418 5.782 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408899766 1070160119 /nfs/dbraw/zinc/16/01/19/1070160119.db2.gz QFXORUTWPGZDEE-ZDLGFXPLSA-N -1 0 634.708 6.427 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408899412 1070157732 /nfs/dbraw/zinc/15/77/32/1070157732.db2.gz PBOIXIVCBAVWMQ-HAHDFKILSA-N -1 0 508.933 5.513 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408899650 1070159259 /nfs/dbraw/zinc/15/92/59/1070159259.db2.gz PRPDCDCGJKOKQQ-UUYOSTAYSA-N -1 0 648.337 7.189 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(F)c1 ZINC000408899609 1070159409 /nfs/dbraw/zinc/15/94/09/1070159409.db2.gz PLRHYBKLUUIJRI-NDENLUEZSA-N -1 0 539.357 5.151 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408900731 1070165015 /nfs/dbraw/zinc/16/50/15/1070165015.db2.gz UGKPFKQDNUKJNB-HAHDFKILSA-N -1 0 567.013 6.302 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408901012 1070166048 /nfs/dbraw/zinc/16/60/48/1070166048.db2.gz ZFSKDLIELMNRGH-WGOQTCKBSA-N -1 0 692.481 6.653 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408901123 1070166118 /nfs/dbraw/zinc/16/61/18/1070166118.db2.gz VXYJPAIJGCYAKX-JLPGSUDCSA-N -1 0 522.960 5.903 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408897391 1070171705 /nfs/dbraw/zinc/17/17/05/1070171705.db2.gz MXTBGCCTSUERFL-JAIQZWGSSA-N -1 0 604.284 6.708 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408901388 1070167698 /nfs/dbraw/zinc/16/76/98/1070167698.db2.gz XRNCHLZYLJYZSG-CEUNXORHSA-N -1 0 534.612 6.491 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408901411 1070167769 /nfs/dbraw/zinc/16/77/69/1070167769.db2.gz XWKIXDPXXNPRJF-ODLFYWEKSA-N -1 0 619.877 5.162 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000408898768 1070176076 /nfs/dbraw/zinc/17/60/76/1070176076.db2.gz MMHAXMZIWUGBCU-ODLFYWEKSA-N -1 0 588.227 5.905 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408898994 1070176833 /nfs/dbraw/zinc/17/68/33/1070176833.db2.gz NTVIMGNAKLKKQJ-STZFKDTASA-N -1 0 559.833 6.681 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408897917 1070173169 /nfs/dbraw/zinc/17/31/69/1070173169.db2.gz JOJPPPFSEZZCHG-XKZIYDEJSA-N -1 0 618.311 7.180 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Cl)c1 ZINC000408897919 1070173189 /nfs/dbraw/zinc/17/31/89/1070173189.db2.gz JOKVGVVWYILFIF-MTJSOVHGSA-N -1 0 553.840 6.273 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408898333 1070174072 /nfs/dbraw/zinc/17/40/72/1070174072.db2.gz LGACRIKNQUNIOY-HMAPJEAMSA-N -1 0 613.892 6.535 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408898353 1070174766 /nfs/dbraw/zinc/17/47/66/1070174766.db2.gz LMZACOHKRIJPDI-ODLFYWEKSA-N -1 0 570.783 5.565 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902985 1070184984 /nfs/dbraw/zinc/18/49/84/1070184984.db2.gz TVPXTHYFZHWBOK-FYJGNVAPSA-N -1 0 512.008 6.032 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408913693 1070211569 /nfs/dbraw/zinc/21/15/69/1070211569.db2.gz NCRMQDQONCEEBE-JFLMPSFJSA-N -1 0 527.527 5.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408914793 1070214831 /nfs/dbraw/zinc/21/48/31/1070214831.db2.gz YZUVKATVOZCGAX-VXLYETTFSA-N -1 0 529.351 5.777 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2Cl)c1 ZINC000408933472 1070265738 /nfs/dbraw/zinc/26/57/38/1070265738.db2.gz AEIKWHILYRQYGU-MZJWZYIUSA-N -1 0 635.931 8.088 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408937022 1070270225 /nfs/dbraw/zinc/27/02/25/1070270225.db2.gz MCFNHRWTVWAIOP-NDZAJKAJSA-N -1 0 623.492 7.971 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408939219 1070282162 /nfs/dbraw/zinc/28/21/62/1070282162.db2.gz LWNZKIIKYAAIGZ-BUVRLJJBSA-N -1 0 572.371 5.756 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408939694 1070283793 /nfs/dbraw/zinc/28/37/93/1070283793.db2.gz NHELUXZPQJFOFG-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM Cc1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1 ZINC000408940216 1070284901 /nfs/dbraw/zinc/28/49/01/1070284901.db2.gz UPPXBCOPPPHZSN-CEUNXORHSA-N -1 0 518.569 5.819 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408940750 1070286867 /nfs/dbraw/zinc/28/68/67/1070286867.db2.gz UYZSNDBWKFNZFH-RWPZCVJISA-N -1 0 722.963 7.394 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408941335 1070288810 /nfs/dbraw/zinc/28/88/10/1070288810.db2.gz WHUSXWATMWQEFF-JVWAILMASA-N -1 0 587.003 6.312 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000408937829 1070292638 /nfs/dbraw/zinc/29/26/38/1070292638.db2.gz PDSFNXVMTSLPLN-RGVLZGJSSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408937170 1070290345 /nfs/dbraw/zinc/29/03/45/1070290345.db2.gz MSJIIFOLLOFMNP-ZVHZXABRSA-N -1 0 665.899 7.075 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408938363 1070294967 /nfs/dbraw/zinc/29/49/67/1070294967.db2.gz QEMGZVZJZAUKRI-JVWAILMASA-N -1 0 726.001 6.823 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccccc1F ZINC000408938681 1070295542 /nfs/dbraw/zinc/29/55/42/1070295542.db2.gz RCMWVFFMHALKEX-BOPFTXTBSA-N -1 0 518.850 5.743 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408942291 1070301921 /nfs/dbraw/zinc/30/19/21/1070301921.db2.gz YXDMQEVIIDNJGP-VULFUBBASA-N -1 0 621.448 6.966 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000408942270 1070302310 /nfs/dbraw/zinc/30/23/10/1070302310.db2.gz YSDGMQSFKCDZCS-MFOYZWKCSA-N -1 0 688.799 6.747 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408950421 1070308175 /nfs/dbraw/zinc/30/81/75/1070308175.db2.gz KBDNGLLGYUAIMM-UFFVCSGVSA-N -1 0 744.279 6.023 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408946495 1070308937 /nfs/dbraw/zinc/30/89/37/1070308937.db2.gz ALHQGVDTIMYZOO-ZMGVVAQMSA-N -1 0 691.622 8.324 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408952424 1070314540 /nfs/dbraw/zinc/31/45/40/1070314540.db2.gz NTMUGLZQLLEMFJ-AWQFTUOYSA-N -1 0 534.355 5.392 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408952469 1070314752 /nfs/dbraw/zinc/31/47/52/1070314752.db2.gz NXKWSVFJHXVCGI-VULFUBBASA-N -1 0 588.535 7.535 40 10 KKCBRM COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408953270 1070315589 /nfs/dbraw/zinc/31/55/89/1070315589.db2.gz PMIQRIQTWUGLRW-VULFUBBASA-N -1 0 567.598 5.998 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408965051 1070330589 /nfs/dbraw/zinc/33/05/89/1070330589.db2.gz GAAFBPAIAGZGSW-GIJQJNRQSA-N -1 0 502.398 5.680 40 10 KKCBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c1C ZINC000408968393 1070333717 /nfs/dbraw/zinc/33/37/17/1070333717.db2.gz WHFFMABJUQJLMT-FYJGNVAPSA-N -1 0 508.441 5.250 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967231 1070332530 /nfs/dbraw/zinc/33/25/30/1070332530.db2.gz RHFXWSRBCIUPOH-UDWIEESQSA-N -1 0 521.429 5.780 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc4ccccc43)SC2=S)c1 ZINC000408970442 1070334702 /nfs/dbraw/zinc/33/47/02/1070334702.db2.gz HXBSTRZOBQEYEJ-MYYYXRDXSA-N -1 0 532.042 7.176 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408981600 1070338912 /nfs/dbraw/zinc/33/89/12/1070338912.db2.gz BXEQITWGEZJOBS-JMIUGGIZSA-N -1 0 614.836 5.963 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408980549 1070338068 /nfs/dbraw/zinc/33/80/68/1070338068.db2.gz FNNFRZOHSRXGIU-URFJJRPFSA-N -1 0 638.145 5.695 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408982016 1070339563 /nfs/dbraw/zinc/33/95/63/1070339563.db2.gz FERPKYCVBJNQQR-FMCGGJTJSA-N -1 0 605.872 6.818 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1Cl ZINC000408981649 1070339841 /nfs/dbraw/zinc/33/98/41/1070339841.db2.gz CEBHQIAEHQOARF-GRSHGNNSSA-N -1 0 590.776 5.638 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(C)cc4)cc3Br)C2=O)cc1 ZINC000408982117 1070339903 /nfs/dbraw/zinc/33/99/03/1070339903.db2.gz FYJAPFGJDPFVBK-XKZIYDEJSA-N -1 0 549.421 5.574 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408983048 1070341697 /nfs/dbraw/zinc/34/16/97/1070341697.db2.gz JVVSFBCZCHKTTO-JMIUGGIZSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000408983580 1070342822 /nfs/dbraw/zinc/34/28/22/1070342822.db2.gz MLVWZTMNYWZNHA-GRSHGNNSSA-N -1 0 617.783 5.407 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408983430 1070342941 /nfs/dbraw/zinc/34/29/41/1070342941.db2.gz MBTGNQJMOTYJLO-OYKKKHCWSA-N -1 0 545.422 6.954 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408986172 1070348002 /nfs/dbraw/zinc/34/80/02/1070348002.db2.gz ZZJJIDFNCOLKOS-NHDPSOOVSA-N -1 0 573.860 6.853 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408984452 1070352753 /nfs/dbraw/zinc/35/27/53/1070352753.db2.gz RGUKQRJOBIUAII-UCQKPKSFSA-N -1 0 518.997 5.855 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408984654 1070353361 /nfs/dbraw/zinc/35/33/61/1070353361.db2.gz SILSQIICYRANDQ-LSCVHKIXSA-N -1 0 599.821 5.394 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccccc4)o3)C2=O)c1 ZINC000408995169 1070363008 /nfs/dbraw/zinc/36/30/08/1070363008.db2.gz AJFBNZFHEZJFHD-LDADJPATSA-N -1 0 513.369 5.258 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408989039 1070361808 /nfs/dbraw/zinc/36/18/08/1070361808.db2.gz GQNYQDRVWQCRCW-VCHYOVAHSA-N -1 0 575.584 5.547 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C2=O)cc1 ZINC000408996447 1070365561 /nfs/dbraw/zinc/36/55/61/1070365561.db2.gz PBEVAJKXYPMKQV-LICLKQGHSA-N -1 0 685.152 6.781 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408999692 1070374954 /nfs/dbraw/zinc/37/49/54/1070374954.db2.gz RZTGNADQHDPXFV-HYARGMPZSA-N -1 0 554.409 5.010 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000409009637 1070387193 /nfs/dbraw/zinc/38/71/93/1070387193.db2.gz HEQRBDSLHOPIGX-COEJQBHMSA-N -1 0 632.583 8.022 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409021236 1070398063 /nfs/dbraw/zinc/39/80/63/1070398063.db2.gz ZIPDOANVLQVWCC-RGVLZGJSSA-N -1 0 526.431 5.444 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409019718 1070403006 /nfs/dbraw/zinc/40/30/06/1070403006.db2.gz WXPGSBTXGLIUPN-GIJQJNRQSA-N -1 0 532.822 5.480 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409038725 1070429077 /nfs/dbraw/zinc/42/90/77/1070429077.db2.gz AUQSNFNLOAIQGB-QGMBQPNBSA-N -1 0 649.679 6.327 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409040320 1070433503 /nfs/dbraw/zinc/43/35/03/1070433503.db2.gz GHRASGAUNGRRBB-DJKKODMXSA-N -1 0 530.295 5.286 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1 ZINC000409043082 1070448912 /nfs/dbraw/zinc/44/89/12/1070448912.db2.gz PQIGPIUUIFOBBE-YBFXNURJSA-N -1 0 648.691 5.897 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1 ZINC000409044002 1070450894 /nfs/dbraw/zinc/45/08/94/1070450894.db2.gz AJNPQKLCOYDNIO-YBFXNURJSA-N -1 0 543.334 5.165 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C1=O ZINC000409044114 1070450909 /nfs/dbraw/zinc/45/09/09/1070450909.db2.gz AXORLTYKHGMPGA-VCHYOVAHSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409044746 1070451733 /nfs/dbraw/zinc/45/17/33/1070451733.db2.gz DAQSWCUTLYWVGH-GIJQJNRQSA-N -1 0 579.845 5.698 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1C ZINC000409050543 1070465231 /nfs/dbraw/zinc/46/52/31/1070465231.db2.gz WUQMNWOELHCMML-RGVLZGJSSA-N -1 0 602.254 6.213 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409049595 1070462846 /nfs/dbraw/zinc/46/28/46/1070462846.db2.gz WZMREZVBOWMXHW-YBFXNURJSA-N -1 0 565.818 5.389 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc(F)c2)C1=O ZINC000409049894 1070463618 /nfs/dbraw/zinc/46/36/18/1070463618.db2.gz YNLAUARGSSDBIC-DJKKODMXSA-N -1 0 622.672 6.558 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C1=O ZINC000409055371 1070476297 /nfs/dbraw/zinc/47/62/97/1070476297.db2.gz IDSLMUVUKCCNLD-DJKKODMXSA-N -1 0 594.676 6.963 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)SC2=S)c1 ZINC000409086161 1070504905 /nfs/dbraw/zinc/50/49/05/1070504905.db2.gz GAVKVKRYZQWMDA-CIAFOILYSA-N -1 0 516.427 6.676 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082449 1070506590 /nfs/dbraw/zinc/50/65/90/1070506590.db2.gz SMDAYNKXWMXOKU-CXUHLZMHSA-N -1 0 715.806 7.037 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088343 1070522341 /nfs/dbraw/zinc/52/23/41/1070522341.db2.gz WYXNBZNWJKHZDI-LZYBPNLTSA-N -1 0 673.167 6.736 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409103884 1070528762 /nfs/dbraw/zinc/52/87/62/1070528762.db2.gz ZLOAEYQQDIURII-OQLLNIDSSA-N -1 0 551.199 5.969 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409098854 1070532155 /nfs/dbraw/zinc/53/21/55/1070532155.db2.gz QUVRYFRGDYPCKM-ZVHZXABRSA-N -1 0 505.617 6.077 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(C)c1 ZINC000409125738 1070553797 /nfs/dbraw/zinc/55/37/97/1070553797.db2.gz KBSHACIAFOULME-BRPDVVIDSA-N -1 0 588.132 7.913 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409140316 1070563814 /nfs/dbraw/zinc/56/38/14/1070563814.db2.gz DNIZLOOZVDIADO-OGLMXYFKSA-N -1 0 570.114 6.775 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409147308 1070565586 /nfs/dbraw/zinc/56/55/86/1070565586.db2.gz VRNYNPLISHQRQX-YDZHTSKRSA-N -1 0 699.419 7.430 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152145 1070576762 /nfs/dbraw/zinc/57/67/62/1070576762.db2.gz JPVOQJXARIJNDW-SWYRRKHMSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C(=O)[N-]C1=S ZINC000409172409 1070588266 /nfs/dbraw/zinc/58/82/66/1070588266.db2.gz HJNUBQUAXVPLTC-GZTJUZNOSA-N -1 0 544.858 5.350 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000409187326 1070596115 /nfs/dbraw/zinc/59/61/15/1070596115.db2.gz OYTBQJZYEAZHQV-HYARGMPZSA-N -1 0 522.399 5.230 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)C2=O)cc1OCC ZINC000409188621 1070596901 /nfs/dbraw/zinc/59/69/01/1070596901.db2.gz IBVQROJXNZZHPQ-ONUIUJJFSA-N -1 0 528.605 5.424 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409192670 1070610530 /nfs/dbraw/zinc/61/05/30/1070610530.db2.gz DUTWOIVEEZCSMZ-SSDVNMTOSA-N -1 0 739.390 7.035 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409194003 1070612755 /nfs/dbraw/zinc/61/27/55/1070612755.db2.gz KEENWPHTYDDJGC-OEAKJJBVSA-N -1 0 627.521 6.821 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409196367 1070616566 /nfs/dbraw/zinc/61/65/66/1070616566.db2.gz ZQVFMHJMWUUMAG-WSDLNYQXSA-N -1 0 706.815 7.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409218302 1070641022 /nfs/dbraw/zinc/64/10/22/1070641022.db2.gz HWEQXGSGHNVQDD-RGVLZGJSSA-N -1 0 721.786 6.346 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222828 1070650207 /nfs/dbraw/zinc/65/02/07/1070650207.db2.gz DGCJNNZURDFLBP-UDWIEESQSA-N -1 0 598.837 5.185 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409220263 1070646901 /nfs/dbraw/zinc/64/69/01/1070646901.db2.gz VQNXUKFMZRHDIU-YBFXNURJSA-N -1 0 659.864 5.254 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409236560 1070652682 /nfs/dbraw/zinc/65/26/82/1070652682.db2.gz SUMPSSNNCTWLJT-PDGQHHTCSA-N -1 0 575.859 5.492 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)C1=O ZINC000409247493 1070664301 /nfs/dbraw/zinc/66/43/01/1070664301.db2.gz COQDGQJWKOVXMI-YVLHZVERSA-N -1 0 647.707 5.857 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000409254745 1070672772 /nfs/dbraw/zinc/67/27/72/1070672772.db2.gz INTXWLVJOPWQOZ-LPYMAVHISA-N -1 0 671.342 5.911 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409254779 1070672813 /nfs/dbraw/zinc/67/28/13/1070672813.db2.gz ISVLXHVALKCBCV-MTJSOVHGSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)C1=O ZINC000409258775 1070680404 /nfs/dbraw/zinc/68/04/04/1070680404.db2.gz VHYTVSGXJSILLU-YBEGLDIGSA-N -1 0 682.152 6.511 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409264619 1070687451 /nfs/dbraw/zinc/68/74/51/1070687451.db2.gz LNIGSUUEWIGVBU-QRQIAZFYSA-N -1 0 698.570 6.728 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OCC ZINC000409252382 1070683904 /nfs/dbraw/zinc/68/39/04/1070683904.db2.gz DKUHUJSPFVKUHV-JJIBRWJFSA-N -1 0 571.630 5.175 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1OCC ZINC000409267208 1070691947 /nfs/dbraw/zinc/69/19/47/1070691947.db2.gz UBHGKRLOEQQYFQ-HZHRSRAPSA-N -1 0 606.075 5.828 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OC ZINC000409259642 1070694349 /nfs/dbraw/zinc/69/43/49/1070694349.db2.gz BVIJJJYPFKAOMG-XKZIYDEJSA-N -1 0 666.525 5.556 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409261777 1070697662 /nfs/dbraw/zinc/69/76/62/1070697662.db2.gz BBKOKUHZCOLCFQ-ZDLGFXPLSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000409261345 1070697691 /nfs/dbraw/zinc/69/76/91/1070697691.db2.gz AMGGMQMBOGBTHI-VXLYETTFSA-N -1 0 692.158 5.966 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409262985 1070699260 /nfs/dbraw/zinc/69/92/60/1070699260.db2.gz KYZVFVNXMGZNMB-ODLFYWEKSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1Cl ZINC000409270004 1070704713 /nfs/dbraw/zinc/70/47/13/1070704713.db2.gz NMRMUDBOWMHZJI-QRQIAZFYSA-N -1 0 596.039 5.911 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409270299 1070705737 /nfs/dbraw/zinc/70/57/37/1070705737.db2.gz PAIDYUTYGBPHJZ-BKUYFWCQSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000409273225 1070712168 /nfs/dbraw/zinc/71/21/68/1070712168.db2.gz JFOYRNZWKFLUHN-NHDPSOOVSA-N -1 0 510.955 5.590 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409273531 1070712969 /nfs/dbraw/zinc/71/29/69/1070712969.db2.gz YVNDOVXVWWZZDA-QRQIAZFYSA-N -1 0 745.570 6.570 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000408880401 1070788721 /nfs/dbraw/zinc/78/87/21/1070788721.db2.gz ITLWXZIOEJQCTO-BKUYFWCQSA-N -1 0 504.970 5.465 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Cc1ccccc1F ZINC000408880171 1070790119 /nfs/dbraw/zinc/79/01/19/1070790119.db2.gz GIKGMYMMDMODGZ-LICLKQGHSA-N -1 0 590.776 5.350 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408879802 1070791250 /nfs/dbraw/zinc/79/12/50/1070791250.db2.gz FTDXKVZZGRMYNT-YBFXNURJSA-N -1 0 632.736 6.829 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O ZINC000408880004 1070791387 /nfs/dbraw/zinc/79/13/87/1070791387.db2.gz IDYNFSXSFBYDHO-NDENLUEZSA-N -1 0 525.388 5.810 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408881030 1070785163 /nfs/dbraw/zinc/78/51/63/1070785163.db2.gz JYFCTRRFBMJNTM-UDWIEESQSA-N -1 0 661.290 5.870 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408880821 1070785845 /nfs/dbraw/zinc/78/58/45/1070785845.db2.gz KZFKURGCQXBASU-UNOMPAQXSA-N -1 0 571.880 5.912 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408880835 1070785887 /nfs/dbraw/zinc/78/58/87/1070785887.db2.gz HPHARWYOAXLKBC-STZFKDTASA-N -1 0 550.365 5.165 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000408880661 1070786233 /nfs/dbraw/zinc/78/62/33/1070786233.db2.gz GPRXKSGPYGNCKS-QNGOZBTKSA-N -1 0 505.368 5.257 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408880645 1070786472 /nfs/dbraw/zinc/78/64/72/1070786472.db2.gz GKYDBIGFVOGCGE-KEBDBYFISA-N -1 0 635.285 6.562 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408879399 1070794979 /nfs/dbraw/zinc/79/49/79/1070794979.db2.gz DERRNLABCQXJIZ-WGOQTCKBSA-N -1 0 556.977 6.304 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408879275 1070795616 /nfs/dbraw/zinc/79/56/16/1070795616.db2.gz CSCXKFSOIYHBJK-MHWRWJLKSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408879021 1070797450 /nfs/dbraw/zinc/79/74/50/1070797450.db2.gz CHDKFZFQELBCTR-XDHOZWIPSA-N -1 0 555.812 5.747 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408878748 1070797560 /nfs/dbraw/zinc/79/75/60/1070797560.db2.gz BONMUCBUDCJFOV-ATVHPVEESA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408878662 1070799522 /nfs/dbraw/zinc/79/95/22/1070799522.db2.gz CPTLOQLGWIIHMH-UNOMPAQXSA-N -1 0 602.425 5.239 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408878260 1070801726 /nfs/dbraw/zinc/80/17/26/1070801726.db2.gz ZBOOQDLQNRMNNH-ZVHZXABRSA-N -1 0 517.025 6.230 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(Cc2ccccc2F)c1 ZINC000408877935 1070802955 /nfs/dbraw/zinc/80/29/55/1070802955.db2.gz YKEFWQBUTRXCFI-TURZUDJPSA-N -1 0 536.559 5.671 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408877980 1070804133 /nfs/dbraw/zinc/80/41/33/1070804133.db2.gz ZLPBRXYWEIARHA-RGVLZGJSSA-N -1 0 602.812 5.306 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408877802 1070805325 /nfs/dbraw/zinc/80/53/25/1070805325.db2.gz UQOHGKJIIYZEOB-NDENLUEZSA-N -1 0 618.880 5.754 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408877688 1070807007 /nfs/dbraw/zinc/80/70/07/1070807007.db2.gz XTCCZHUDWHTYGU-ODLFYWEKSA-N -1 0 618.311 6.962 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408877509 1070807777 /nfs/dbraw/zinc/80/77/77/1070807777.db2.gz RZCADYABOSGJCL-LICLKQGHSA-N -1 0 607.231 5.864 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408887929 1070817718 /nfs/dbraw/zinc/81/77/18/1070817718.db2.gz UWDQLIBVSPBPMA-VXLYETTFSA-N -1 0 651.284 6.551 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)c1 ZINC000408888066 1070817772 /nfs/dbraw/zinc/81/77/72/1070817772.db2.gz WHKMSLITOKBWCC-XDHOZWIPSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408888616 1070814103 /nfs/dbraw/zinc/81/41/03/1070814103.db2.gz XXAIVNNMVPEQNR-ZMOGYAJESA-N -1 0 624.475 6.169 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408888652 1070814446 /nfs/dbraw/zinc/81/44/46/1070814446.db2.gz YJKJZWABJNUQII-YZSQISJMSA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)cc1 ZINC000408887529 1070819402 /nfs/dbraw/zinc/81/94/02/1070819402.db2.gz PBPXIXVVTNMVLO-WOJGMQOQSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408887600 1070819642 /nfs/dbraw/zinc/81/96/42/1070819642.db2.gz PGGUQJCHOHQASM-WSDLNYQXSA-N -1 0 563.448 5.937 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408887441 1070820704 /nfs/dbraw/zinc/82/07/04/1070820704.db2.gz QRXKFVFEZLPPNC-HZHRSRAPSA-N -1 0 561.819 6.501 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408887278 1070820900 /nfs/dbraw/zinc/82/09/00/1070820900.db2.gz NJDTYYIXFYQBGS-GZTJUZNOSA-N -1 0 545.806 6.291 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408897178 1070822970 /nfs/dbraw/zinc/82/29/70/1070822970.db2.gz HXLFLVLXCBLRGD-IMRQLAEWSA-N -1 0 542.632 6.126 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408890970 1070823124 /nfs/dbraw/zinc/82/31/24/1070823124.db2.gz JFXFPZXHTWPMDP-WOJGMQOQSA-N -1 0 546.204 6.001 40 10 KKCBRM CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000409326889 1070826818 /nfs/dbraw/zinc/82/68/18/1070826818.db2.gz GATQEVJFBCVMSZ-WSDLNYQXSA-N -1 0 524.982 6.097 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408887751 1070818442 /nfs/dbraw/zinc/81/84/42/1070818442.db2.gz SZLXSTLEBPCEHV-UDWIEESQSA-N -1 0 522.960 5.740 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408896650 1070830631 /nfs/dbraw/zinc/83/06/31/1070830631.db2.gz GWXMBOVQGRHSSN-JAIQZWGSSA-N -1 0 587.829 6.194 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000408896658 1070831321 /nfs/dbraw/zinc/83/13/21/1070831321.db2.gz GYJICOQEJROPMB-XYGWBWBKSA-N -1 0 541.401 6.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408895862 1070838444 /nfs/dbraw/zinc/83/84/44/1070838444.db2.gz OIDJNPBAUIUNFL-UDWIEESQSA-N -1 0 553.384 5.541 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408896396 1070835033 /nfs/dbraw/zinc/83/50/33/1070835033.db2.gz NIDZWUFILQSOGV-UFFVCSGVSA-N -1 0 583.866 6.282 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408895284 1070846518 /nfs/dbraw/zinc/84/65/18/1070846518.db2.gz DPSZGHHYTXWCRN-JAIQZWGSSA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408895688 1070841390 /nfs/dbraw/zinc/84/13/90/1070841390.db2.gz NVMUURWFEYCEOV-VXLYETTFSA-N -1 0 604.284 6.708 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)ccc1Br ZINC000408895703 1070841758 /nfs/dbraw/zinc/84/17/58/1070841758.db2.gz FFSVBCNNBPTJAG-IWIPYMOSSA-N -1 0 575.846 6.810 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408895527 1070842480 /nfs/dbraw/zinc/84/24/80/1070842480.db2.gz LAKWCRLSBPAXCL-LFIBNONCSA-N -1 0 546.204 6.001 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408895266 1070847014 /nfs/dbraw/zinc/84/70/14/1070847014.db2.gz DIWNNACNQKXRTC-UCQKPKSFSA-N -1 0 660.892 6.378 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408895262 1070847185 /nfs/dbraw/zinc/84/71/85/1070847185.db2.gz DHXDPLUTYIRGGG-HMAPJEAMSA-N -1 0 520.969 5.383 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408895089 1070848427 /nfs/dbraw/zinc/84/84/27/1070848427.db2.gz LXELLOYWUVLITL-GIJQJNRQSA-N -1 0 634.708 6.427 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 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ZINC000408894169 1070858353 /nfs/dbraw/zinc/85/83/53/1070858353.db2.gz BLCXJZXLQJSXSZ-UCQKPKSFSA-N -1 0 626.447 5.642 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000408893579 1070863361 /nfs/dbraw/zinc/86/33/61/1070863361.db2.gz CGNLYHIGSQNCCE-ODLFYWEKSA-N -1 0 615.234 5.674 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408893558 1070863403 /nfs/dbraw/zinc/86/34/03/1070863403.db2.gz GUTUMBLBLJIQTL-WGOQTCKBSA-N -1 0 510.977 6.355 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408892387 1070872450 /nfs/dbraw/zinc/87/24/50/1070872450.db2.gz AXFXRTVYWRTKFM-RGVLZGJSSA-N -1 0 508.933 5.350 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893133 1070867390 /nfs/dbraw/zinc/86/73/90/1070867390.db2.gz FOWKLNVCYGYVMW-FYJGNVAPSA-N -1 0 613.486 5.207 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408892392 1070872830 /nfs/dbraw/zinc/87/28/30/1070872830.db2.gz ZEDJSQDDLJVGDA-UFFVCSGVSA-N -1 0 539.415 6.173 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Br ZINC000408891365 1070878638 /nfs/dbraw/zinc/87/86/38/1070878638.db2.gz PKZFGLAKGBBUIS-YBFXNURJSA-N -1 0 601.207 5.365 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)c1C ZINC000408891035 1070880032 /nfs/dbraw/zinc/88/00/32/1070880032.db2.gz KEVCNIWSAUKEMG-XDHOZWIPSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408889113 1070889604 /nfs/dbraw/zinc/88/96/04/1070889604.db2.gz DSTVRAVUMDOHBG-KGENOOAVSA-N -1 0 535.394 5.402 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)c1C ZINC000408889508 1070889207 /nfs/dbraw/zinc/88/92/07/1070889207.db2.gz DIRMPPLZDDQJBX-XDHOZWIPSA-N -1 0 584.264 6.074 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409372631 1070896271 /nfs/dbraw/zinc/89/62/71/1070896271.db2.gz FQTVZRNNUHQVKI-YBFXNURJSA-N -1 0 560.198 5.046 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000409374715 1070898115 /nfs/dbraw/zinc/89/81/15/1070898115.db2.gz XIOWNVVALPEWRI-OEAKJJBVSA-N -1 0 531.362 5.436 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O[C@H](C)CC ZINC000408903789 1070902088 /nfs/dbraw/zinc/90/20/88/1070902088.db2.gz ZDQZHNUZWPWPOQ-VGSSETLESA-N -1 0 566.246 5.454 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409377645 1070903780 /nfs/dbraw/zinc/90/37/80/1070903780.db2.gz JQHYCTZLDNDRAJ-MTDXEUNCSA-N -1 0 570.114 6.720 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000408903312 1070904748 /nfs/dbraw/zinc/90/47/48/1070904748.db2.gz QOBNTYZSBVQHEM-VZWMTCDZSA-N -1 0 566.246 5.454 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408903010 1070906079 /nfs/dbraw/zinc/90/60/79/1070906079.db2.gz NNCNIWCGNHDZIU-CIAFOILYSA-N -1 0 704.315 5.445 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409387310 1070908852 /nfs/dbraw/zinc/90/88/52/1070908852.db2.gz PRNZXLLHKBJHDI-UDWIEESQSA-N -1 0 569.452 5.570 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409388038 1070910344 /nfs/dbraw/zinc/91/03/44/1070910344.db2.gz SWRWOOVRTMMNAP-LFVJCYFKSA-N -1 0 500.620 5.366 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409398385 1070912747 /nfs/dbraw/zinc/91/27/47/1070912747.db2.gz AFWFJXFHJYQMLL-XKZIYDEJSA-N -1 0 672.260 6.089 40 10 KKCBRM O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408902201 1070913966 /nfs/dbraw/zinc/91/39/66/1070913966.db2.gz LTFPTAOLYPVZNE-FYJGNVAPSA-N -1 0 526.433 6.132 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1 ZINC000408901603 1070919488 /nfs/dbraw/zinc/91/94/88/1070919488.db2.gz ZCBITMUVNJVRLZ-ZHZULCJRSA-N -1 0 500.979 5.373 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408901611 1070919649 /nfs/dbraw/zinc/91/96/49/1070919649.db2.gz ZDAJIAQJWSRNHA-JLPGSUDCSA-N -1 0 545.548 5.028 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000409400913 1070915460 /nfs/dbraw/zinc/91/54/60/1070915460.db2.gz VBWHWKQRZGBZNN-PXNMLYILSA-N -1 0 508.188 6.341 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408901900 1070916118 /nfs/dbraw/zinc/91/61/18/1070916118.db2.gz IQGGGWDBXXAPFJ-FYJGNVAPSA-N -1 0 603.459 5.983 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(C)c1 ZINC000409401495 1070916994 /nfs/dbraw/zinc/91/69/94/1070916994.db2.gz YSQXSACECVWXME-MOSHPQCFSA-N -1 0 541.829 5.850 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408901690 1070917399 /nfs/dbraw/zinc/91/73/99/1070917399.db2.gz ZPZKJKIKTUDJIJ-JLPGSUDCSA-N -1 0 534.996 5.773 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408901777 1070918026 /nfs/dbraw/zinc/91/80/26/1070918026.db2.gz ZZFLYELELVIFHP-BRPDVVIDSA-N -1 0 564.638 6.663 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408901543 1070918263 /nfs/dbraw/zinc/91/82/63/1070918263.db2.gz YQRXJYCBCAXIRC-UUYOSTAYSA-N -1 0 597.893 6.672 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408901313 1070922888 /nfs/dbraw/zinc/92/28/88/1070922888.db2.gz XDYBSOQDUGIHCD-MYYYXRDXSA-N -1 0 585.454 6.473 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Br)C1=O ZINC000408901287 1070922909 /nfs/dbraw/zinc/92/29/09/1070922909.db2.gz WUHCFDKPVJMMKI-UNOMPAQXSA-N -1 0 604.682 6.419 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408900900 1070927883 /nfs/dbraw/zinc/92/78/83/1070927883.db2.gz YUPHZLVZAUGYIT-YDZHTSKRSA-N -1 0 518.997 5.773 40 10 KKCBRM CCCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408901152 1070925075 /nfs/dbraw/zinc/92/50/75/1070925075.db2.gz WJMFDLFEKMBJKA-YBEGLDIGSA-N -1 0 613.246 5.216 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1 ZINC000408900783 1070927399 /nfs/dbraw/zinc/92/73/99/1070927399.db2.gz UZJWVCKEHWRUAH-USHMODERSA-N -1 0 506.558 5.874 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408900440 1070933669 /nfs/dbraw/zinc/93/36/69/1070933669.db2.gz SNEHUZZRNUWYDZ-BRPDVVIDSA-N -1 0 534.612 6.573 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408900717 1070929208 /nfs/dbraw/zinc/92/92/08/1070929208.db2.gz UAOLHABFGOAMLI-NHDPSOOVSA-N -1 0 675.317 6.233 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408900435 1070933883 /nfs/dbraw/zinc/93/38/83/1070933883.db2.gz SMHMWOSODIQJNU-UCQKPKSFSA-N -1 0 613.892 6.535 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 ZINC000408900745 1070930081 /nfs/dbraw/zinc/93/00/81/1070930081.db2.gz ULBDBPJIMYPDMO-ZVHZXABRSA-N -1 0 526.980 5.217 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408900778 1070930949 /nfs/dbraw/zinc/93/09/49/1070930949.db2.gz UWMWACWOEXUDOS-UCQKPKSFSA-N -1 0 597.437 6.021 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408900595 1070932132 /nfs/dbraw/zinc/93/21/32/1070932132.db2.gz WMYCWNRMQGDJDA-KGENOOAVSA-N -1 0 551.393 5.102 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408900454 1070934560 /nfs/dbraw/zinc/93/45/60/1070934560.db2.gz SQMIBBYKKUBTLM-MYYYXRDXSA-N -1 0 654.501 6.341 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408900467 1070934805 /nfs/dbraw/zinc/93/48/05/1070934805.db2.gz SUGKIQLXFUFTIE-MTJSOVHGSA-N -1 0 603.886 7.080 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408900474 1070934829 /nfs/dbraw/zinc/93/48/29/1070934829.db2.gz SWDQZYIEJRXCFC-IWIPYMOSSA-N -1 0 539.415 6.418 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Br)cc1C ZINC000408900233 1070935432 /nfs/dbraw/zinc/93/54/32/1070935432.db2.gz XOABXSXZWVZJDN-MTJSOVHGSA-N -1 0 598.291 6.382 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408899992 1070940220 /nfs/dbraw/zinc/94/02/20/1070940220.db2.gz QXGZTDDKWNLVIP-IWIPYMOSSA-N -1 0 638.471 6.180 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408900130 1070937766 /nfs/dbraw/zinc/93/77/66/1070937766.db2.gz RRCZBFNBQJNUFS-NHDPSOOVSA-N -1 0 628.317 6.391 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408899582 1070944367 /nfs/dbraw/zinc/94/43/67/1070944367.db2.gz PHZSUQLNFNRJTF-ONUIUJJFSA-N -1 0 533.024 6.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408899347 1070945054 /nfs/dbraw/zinc/94/50/54/1070945054.db2.gz OPADZGSGZVNVRK-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408899328 1070945180 /nfs/dbraw/zinc/94/51/80/1070945180.db2.gz OLYHUWJHPRKONN-IWIPYMOSSA-N -1 0 593.474 6.190 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408899401 1070946555 /nfs/dbraw/zinc/94/65/55/1070946555.db2.gz OYNIVSVXUGJOPK-UCQKPKSFSA-N -1 0 579.993 5.681 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 ZINC000408899418 1070946588 /nfs/dbraw/zinc/94/65/88/1070946588.db2.gz PDQNFMRVXYZZGZ-HMAPJEAMSA-N -1 0 525.388 6.028 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408900031 1070940883 /nfs/dbraw/zinc/94/08/83/1070940883.db2.gz SKAPJTVZPFLYCY-OEAKJJBVSA-N -1 0 533.422 5.928 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408899408 1070946658 /nfs/dbraw/zinc/94/66/58/1070946658.db2.gz PAIYLJKVVGMYIV-UDWIEESQSA-N -1 0 598.837 5.185 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408899797 1070941678 /nfs/dbraw/zinc/94/16/78/1070941678.db2.gz QJYNWJZGZQHHBD-UCQKPKSFSA-N -1 0 671.444 5.632 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408899858 1070942472 /nfs/dbraw/zinc/94/24/72/1070942472.db2.gz WIBYXZABCILQIW-GRSHGNNSSA-N -1 0 645.260 5.682 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408899691 1070942848 /nfs/dbraw/zinc/94/28/48/1070942848.db2.gz PWLXPWAPRUBRKZ-UQQQWYQISA-N -1 0 575.448 7.181 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408899673 1070943008 /nfs/dbraw/zinc/94/30/08/1070943008.db2.gz PTNLLVNQVSHEDD-IMRQLAEWSA-N -1 0 542.632 6.126 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408899450 1070947135 /nfs/dbraw/zinc/94/71/35/1070947135.db2.gz PIVPWAZQADKJEQ-WQRHYEAKSA-N -1 0 512.896 5.262 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408899157 1070949867 /nfs/dbraw/zinc/94/98/67/1070949867.db2.gz NQXJPOXNCMTXEZ-LFVJCYFKSA-N -1 0 541.401 6.156 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408898895 1070949986 /nfs/dbraw/zinc/94/99/86/1070949986.db2.gz NCVWMPFGLIZQMI-KQWNVCNZSA-N -1 0 539.415 6.418 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408898940 1070950595 /nfs/dbraw/zinc/95/05/95/1070950595.db2.gz NHISKHOUEAGRIN-XYGWBWBKSA-N -1 0 518.541 5.259 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)c(C)c1 ZINC000408898859 1070953392 /nfs/dbraw/zinc/95/33/92/1070953392.db2.gz NFCDCHOSPOAJDB-LFVJCYFKSA-N -1 0 510.977 6.355 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408898878 1070953404 /nfs/dbraw/zinc/95/34/04/1070953404.db2.gz MZWCTKKPPOOPHU-HAHDFKILSA-N -1 0 539.415 6.418 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408898594 1070953456 /nfs/dbraw/zinc/95/34/56/1070953456.db2.gz QFFYFELXZBQGMF-JAIQZWGSSA-N -1 0 706.287 5.914 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408898848 1070953648 /nfs/dbraw/zinc/95/36/48/1070953648.db2.gz MWFLKNLQNRAOFX-ONUIUJJFSA-N -1 0 528.605 5.736 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408898203 1070958822 /nfs/dbraw/zinc/95/88/22/1070958822.db2.gz PDIHRDNUYZUTNO-GRSHGNNSSA-N -1 0 634.708 6.427 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408898363 1070957598 /nfs/dbraw/zinc/95/75/98/1070957598.db2.gz LRLVZPSZSFGCRV-KQWNVCNZSA-N -1 0 579.447 5.882 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408898372 1070957651 /nfs/dbraw/zinc/95/76/51/1070957651.db2.gz LUHQYLJXJHJXFJ-QRVIBDJDSA-N -1 0 711.350 7.078 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408898038 1070961007 /nfs/dbraw/zinc/96/10/07/1070961007.db2.gz KTQDJHRRPJFCSP-ZDLGFXPLSA-N -1 0 634.708 6.427 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408898095 1070961590 /nfs/dbraw/zinc/96/15/90/1070961590.db2.gz ULWVRPIWAQAEBN-UFFVCSGVSA-N -1 0 583.866 6.282 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2)c1 ZINC000408897929 1070962791 /nfs/dbraw/zinc/96/27/91/1070962791.db2.gz JPIQFVXVNISHSB-UCQKPKSFSA-N -1 0 519.395 5.620 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000408897979 1070963580 /nfs/dbraw/zinc/96/35/80/1070963580.db2.gz KBKKNSSXBMTHHR-YDDPGSGASA-N -1 0 515.404 5.308 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408897977 1070963692 /nfs/dbraw/zinc/96/36/92/1070963692.db2.gz KBJWRDMAUMOXBR-BKUYFWCQSA-N -1 0 691.316 6.097 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408897468 1070966261 /nfs/dbraw/zinc/96/62/61/1070966261.db2.gz XFAPUCRZVQZVQH-UDWIEESQSA-N -1 0 567.411 5.849 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408897311 1070967712 /nfs/dbraw/zinc/96/77/12/1070967712.db2.gz IVDVYRWKQWDSCE-UCQKPKSFSA-N -1 0 644.437 5.863 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3F)C2=O)ccc1Br ZINC000408897299 1070967847 /nfs/dbraw/zinc/96/78/47/1070967847.db2.gz ITNQHCAIMBHKMF-UNOMPAQXSA-N -1 0 543.776 5.795 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408910004 1070971452 /nfs/dbraw/zinc/97/14/52/1070971452.db2.gz IMUKRRVBFMVFSX-VCHYOVAHSA-N -1 0 529.749 5.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408910069 1070972202 /nfs/dbraw/zinc/97/22/02/1070972202.db2.gz IZMSGVITLIDLON-UBKPWBPPSA-N -1 0 598.639 6.794 40 10 KKCBRM Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408909579 1070975443 /nfs/dbraw/zinc/97/54/43/1070975443.db2.gz HDLYWWWXRNXHQW-UHFFFAOYSA-N -1 0 535.625 5.849 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408908096 1070985786 /nfs/dbraw/zinc/98/57/86/1070985786.db2.gz AXEOCJNKVKVNNV-QGMBQPNBSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408916975 1070996676 /nfs/dbraw/zinc/99/66/76/1070996676.db2.gz JVXKNVHGYYJQMH-QQXSKIMKSA-N -1 0 505.574 5.813 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408916455 1071000157 /nfs/dbraw/zinc/00/01/57/1071000157.db2.gz COSAUCGSTODOQI-XYGWBWBKSA-N -1 0 526.589 5.788 40 10 KKCBRM CC(C)c1ccc(CCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)N(CC(=O)[O-])Cc2ccc(N)cc2)cc1 ZINC000585268713 1071014285 /nfs/dbraw/zinc/01/42/85/1071014285.db2.gz MNVDZIUUSYLNKR-JGCGQSQUSA-N -1 0 612.174 6.689 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408912386 1071023746 /nfs/dbraw/zinc/02/37/46/1071023746.db2.gz QOVIBWHXUIGEFQ-GIJQJNRQSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000408911689 1071060062 /nfs/dbraw/zinc/06/00/62/1071060062.db2.gz CCWUOIBZVPDUMW-RGVLZGJSSA-N -1 0 621.200 5.438 40 10 KKCBRM CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)[O-])c5)c4C)c(=O)n32)cc1 ZINC000408920931 1071097501 /nfs/dbraw/zinc/09/75/01/1071097501.db2.gz LUYPWIIPKGYJNC-PRLWALMFSA-N -1 0 601.750 5.014 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408917476 1071146523 /nfs/dbraw/zinc/14/65/23/1071146523.db2.gz VGFHGDFETBCAOG-JAIQZWGSSA-N -1 0 510.974 5.206 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408917402 1071149128 /nfs/dbraw/zinc/14/91/28/1071149128.db2.gz TVLCOMWERPAZHM-QRVIBDJDSA-N -1 0 591.458 6.160 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCc3ccc(Br)cc3)c2)C1=O ZINC000408933933 1071199215 /nfs/dbraw/zinc/19/92/15/1071199215.db2.gz CFCHPOBTJQYPHX-MOSHPQCFSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408936938 1071206607 /nfs/dbraw/zinc/20/66/07/1071206607.db2.gz LKTVMVQUNNUNJZ-YBFXNURJSA-N -1 0 545.857 5.512 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1C ZINC000408936063 1071216621 /nfs/dbraw/zinc/21/66/21/1071216621.db2.gz JVRWSOXRTZOOHT-UCQKPKSFSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408935958 1071218533 /nfs/dbraw/zinc/21/85/33/1071218533.db2.gz JBAOMXMGLFXTBV-YZSQISJMSA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000408935643 1071222293 /nfs/dbraw/zinc/22/22/93/1071222293.db2.gz IHACSQQOVWAIIY-WPWMEQJKSA-N -1 0 556.977 6.304 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408934912 1071229892 /nfs/dbraw/zinc/22/98/92/1071229892.db2.gz BQOHUIZXXGXQQP-SRZZPIQSSA-N -1 0 535.940 5.119 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000408934266 1071235643 /nfs/dbraw/zinc/23/56/43/1071235643.db2.gz ABEPLRWWNMOCGH-BUVRLJJBSA-N -1 0 527.920 5.647 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408933875 1071238134 /nfs/dbraw/zinc/23/81/34/1071238134.db2.gz BVMLWMVULXJNEK-YZSQISJMSA-N -1 0 637.497 6.315 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408933901 1071238865 /nfs/dbraw/zinc/23/88/65/1071238865.db2.gz CAXWTAZTHIXGFE-AFUMVMLFSA-N -1 0 665.899 7.075 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408946553 1071269189 /nfs/dbraw/zinc/26/91/89/1071269189.db2.gz YWUNNELTEAHFAG-VCHYOVAHSA-N -1 0 633.782 5.107 40 10 KKCBRM CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)cc1 ZINC000606303324 1071275218 /nfs/dbraw/zinc/27/52/18/1071275218.db2.gz QAOXHLQIVBKYKV-XIFFEERXSA-N -1 0 655.777 6.609 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408943329 1071292734 /nfs/dbraw/zinc/29/27/34/1071292734.db2.gz RUPZCOURSBNCSC-WOJGMQOQSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408942692 1071297196 /nfs/dbraw/zinc/29/71/96/1071297196.db2.gz ZYOADNFUGXNLEJ-JAIQZWGSSA-N -1 0 558.940 6.230 40 10 KKCBRM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408942331 1071301121 /nfs/dbraw/zinc/30/11/21/1071301121.db2.gz ZDUYQCVPBIIQRI-YDZHTSKRSA-N -1 0 509.389 6.362 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408941567 1071307517 /nfs/dbraw/zinc/30/75/17/1071307517.db2.gz XBVCEHVKWFPVBG-ZDLGFXPLSA-N -1 0 553.295 6.397 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408940995 1071312721 /nfs/dbraw/zinc/31/27/21/1071312721.db2.gz WGFAEFBXUYRANB-CVKSISIWSA-N -1 0 758.974 6.275 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408940324 1071318242 /nfs/dbraw/zinc/31/82/42/1071318242.db2.gz UWFRTJDHGDMCPI-JFLMPSFJSA-N -1 0 679.926 7.465 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408938768 1071327708 /nfs/dbraw/zinc/32/77/08/1071327708.db2.gz RNMLIYSKUIICFC-MFOYZWKCSA-N -1 0 597.348 6.795 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408938672 1071329336 /nfs/dbraw/zinc/32/93/36/1071329336.db2.gz RBEFIVUDEPJUHC-MFOYZWKCSA-N -1 0 553.295 6.397 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408937802 1071337683 /nfs/dbraw/zinc/33/76/83/1071337683.db2.gz OYAZCXDLOVKJHP-PCLIKHOPSA-N -1 0 635.873 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000408951038 1071352358 /nfs/dbraw/zinc/35/23/58/1071352358.db2.gz KTJSCZSOLRAFBU-FRKPEAEDSA-N -1 0 728.664 5.523 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408951136 1071352926 /nfs/dbraw/zinc/35/29/26/1071352926.db2.gz LPUAVKMSJVAMMZ-LQKURTRISA-N -1 0 567.085 7.053 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408951109 1071352970 /nfs/dbraw/zinc/35/29/70/1071352970.db2.gz LHUJHHHGFLGTLZ-FRKPEAEDSA-N -1 0 620.239 5.739 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408951590 1071349496 /nfs/dbraw/zinc/34/94/96/1071349496.db2.gz LZAISSNJFGFBAP-ATZGPIRCSA-N -1 0 705.649 8.714 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408951658 1071349649 /nfs/dbraw/zinc/34/96/49/1071349649.db2.gz MGULCESBNIWISM-XODNFHPESA-N -1 0 631.556 7.715 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408950279 1071356076 /nfs/dbraw/zinc/35/60/76/1071356076.db2.gz JCDULRZFSCOCQJ-KKMKTNMSSA-N -1 0 680.028 8.759 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)Nc1ccc(F)cc1 ZINC000408950304 1071356201 /nfs/dbraw/zinc/35/62/01/1071356201.db2.gz JDJJTTVSXZMOCH-MUFRIFMGSA-N -1 0 593.655 5.977 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408950413 1071357133 /nfs/dbraw/zinc/35/71/33/1071357133.db2.gz JXGSARPXNGGPEY-WKULSOCRSA-N -1 0 690.432 7.925 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCc1ccccc1 ZINC000408949376 1071361180 /nfs/dbraw/zinc/36/11/80/1071361180.db2.gz HUMJUJPIBBETAW-MUFRIFMGSA-N -1 0 562.666 6.408 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408948809 1071364302 /nfs/dbraw/zinc/36/43/02/1071364302.db2.gz GYLQUPJIAFTVHO-DPNNOFEESA-N -1 0 612.726 7.562 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408948416 1071364893 /nfs/dbraw/zinc/36/48/93/1071364893.db2.gz GCUDXENYSIEURM-UVHMKAGCSA-N -1 0 690.432 7.925 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408948360 1071366523 /nfs/dbraw/zinc/36/65/23/1071366523.db2.gz FRYWZBIFKOUHDX-CCVNUDIWSA-N -1 0 645.583 8.105 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408947818 1071368193 /nfs/dbraw/zinc/36/81/93/1071368193.db2.gz DFUOLFPHLDSMOU-XODNFHPESA-N -1 0 676.007 7.824 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408947372 1071370940 /nfs/dbraw/zinc/37/09/40/1071370940.db2.gz CGSXNYIIAMOTFA-REZTVBANSA-N -1 0 589.815 6.020 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 ZINC000408957066 1071373499 /nfs/dbraw/zinc/37/34/99/1071373499.db2.gz ZXXSPRUNXSNQGS-OKCVXOCRSA-N -1 0 625.563 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc2ccccc2c1 ZINC000408956890 1071373927 /nfs/dbraw/zinc/37/39/27/1071373927.db2.gz ZDUZGWNYGQSVTJ-HNSNBQBZSA-N -1 0 582.700 7.553 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408956916 1071374648 /nfs/dbraw/zinc/37/46/48/1071374648.db2.gz ZGCTWGSVYUHSAQ-LGJNPRDNSA-N -1 0 594.624 5.925 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408956894 1071374740 /nfs/dbraw/zinc/37/47/40/1071374740.db2.gz ZFAFESXUOVCVOF-IPPBACCNSA-N -1 0 700.586 7.469 40 10 KKCBRM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408956935 1071374756 /nfs/dbraw/zinc/37/47/56/1071374756.db2.gz ZHRSNUNWAJYKTF-VULFUBBASA-N -1 0 572.658 5.161 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C ZINC000408956722 1071375340 /nfs/dbraw/zinc/37/53/40/1071375340.db2.gz YCPCKVZHBNUFFW-CCVNUDIWSA-N -1 0 584.116 6.890 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408956449 1071377446 /nfs/dbraw/zinc/37/74/46/1071377446.db2.gz WULLBNFWBIWVCR-KCSSXMTESA-N -1 0 617.145 8.206 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408955886 1071381234 /nfs/dbraw/zinc/38/12/34/1071381234.db2.gz VAUAGDRIYHIVQQ-QGMBQPNBSA-N -1 0 630.245 5.194 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408695440 1071384575 /nfs/dbraw/zinc/38/45/75/1071384575.db2.gz UWFQCSVWAOAPTE-GZTJUZNOSA-N -1 0 538.225 5.739 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408694759 1071387037 /nfs/dbraw/zinc/38/70/37/1071387037.db2.gz MJZDDPDUUXESFY-VCHYOVAHSA-N -1 0 538.225 5.739 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408694590 1071387847 /nfs/dbraw/zinc/38/78/47/1071387847.db2.gz KGNPSNZHHVCBOK-OEAKJJBVSA-N -1 0 563.448 5.984 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408692936 1071392285 /nfs/dbraw/zinc/39/22/85/1071392285.db2.gz YVQDEBYTBSZMIJ-YBFXNURJSA-N -1 0 639.284 5.436 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408692745 1071393157 /nfs/dbraw/zinc/39/31/57/1071393157.db2.gz UGOSEZSWNCJBBN-LPYMAVHISA-N -1 0 504.970 5.485 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408954558 1071390130 /nfs/dbraw/zinc/39/01/30/1071390130.db2.gz RJQYHSYJXFQOGQ-IBBHUPRXSA-N -1 0 651.590 8.860 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408692539 1071394793 /nfs/dbraw/zinc/39/47/93/1071394793.db2.gz OUGZBKKIZXWDJQ-CAOOACKPSA-N -1 0 568.251 5.748 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408692434 1071395386 /nfs/dbraw/zinc/39/53/86/1071395386.db2.gz MHUUUBUMJUCAQE-CAOOACKPSA-N -1 0 568.251 5.748 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408692189 1071395461 /nfs/dbraw/zinc/39/54/61/1071395461.db2.gz GSLVCUXLBONXMH-YBFXNURJSA-N -1 0 594.833 5.327 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408953225 1071396824 /nfs/dbraw/zinc/39/68/24/1071396824.db2.gz PFWBOSFIUBHOMY-UVHMKAGCSA-N -1 0 784.432 7.609 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408966490 1071409490 /nfs/dbraw/zinc/40/94/90/1071409490.db2.gz MWYMTFWQAGRSCA-WSDLNYQXSA-N -1 0 592.008 5.813 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4c(C)cccc4CC)c3C)C2=O)c(OCC)c1 ZINC000408960485 1071432629 /nfs/dbraw/zinc/43/26/29/1071432629.db2.gz MEVDHTKCRLBGJQ-LFVJCYFKSA-N -1 0 515.610 5.429 40 10 KKCBRM COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2OC)c1 ZINC000408973123 1071448560 /nfs/dbraw/zinc/44/85/60/1071448560.db2.gz SCUOOZHTXYASAV-OYKKKHCWSA-N -1 0 537.615 5.266 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408987182 1071483088 /nfs/dbraw/zinc/48/30/88/1071483088.db2.gz ASMPCAMPCGVSCC-XSFVSMFZSA-N -1 0 526.599 5.434 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)[O-])cc3C)C2=O)cc1Br ZINC000408986646 1071487965 /nfs/dbraw/zinc/48/79/65/1071487965.db2.gz RZKMOMRTEQBYMA-KGENOOAVSA-N -1 0 504.380 6.326 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408986137 1071493069 /nfs/dbraw/zinc/49/30/69/1071493069.db2.gz LSCTWUYXWJAVLF-GRSHGNNSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408986159 1071493904 /nfs/dbraw/zinc/49/39/04/1071493904.db2.gz ZVCBSCCVOBLZQC-MTJSOVHGSA-N -1 0 600.384 5.247 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408985825 1071496183 /nfs/dbraw/zinc/49/61/83/1071496183.db2.gz BDMNBBKLGOQVEN-MTJSOVHGSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408986033 1071496336 /nfs/dbraw/zinc/49/63/36/1071496336.db2.gz ZEFYVXHSZBKLRW-HMAPJEAMSA-N -1 0 549.421 5.656 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000408985060 1071503038 /nfs/dbraw/zinc/50/30/38/1071503038.db2.gz UUAANTBIMHPFPO-IUXPMGMMSA-N -1 0 594.676 6.963 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1Cl ZINC000408984670 1071507709 /nfs/dbraw/zinc/50/77/09/1071507709.db2.gz SKQHMAWCKRMTMW-LSCVHKIXSA-N -1 0 605.228 6.218 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408984383 1071509536 /nfs/dbraw/zinc/50/95/36/1071509536.db2.gz QISIWWUJWOQPGK-OCKHKDLRSA-N -1 0 634.708 6.427 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1Cl ZINC000408984107 1071513177 /nfs/dbraw/zinc/51/31/77/1071513177.db2.gz HYKRHGZCRDSALP-LSCVHKIXSA-N -1 0 622.672 6.558 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408983574 1071515095 /nfs/dbraw/zinc/51/50/95/1071515095.db2.gz MKUQHUUVOSTAMV-MTJSOVHGSA-N -1 0 600.384 5.247 40 10 KKCBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c1C ZINC000408983656 1071515831 /nfs/dbraw/zinc/51/58/31/1071515831.db2.gz NCWNKZKPWLPWJE-HMAPJEAMSA-N -1 0 519.623 5.178 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 ZINC000408983618 1071516038 /nfs/dbraw/zinc/51/60/38/1071516038.db2.gz GUXGBLHHUXFIKV-SXGWCWSVSA-N -1 0 500.294 5.390 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408983383 1071518751 /nfs/dbraw/zinc/51/87/51/1071518751.db2.gz LTHSYNKFDHMHHC-MTJSOVHGSA-N -1 0 569.839 5.919 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408983340 1071519067 /nfs/dbraw/zinc/51/90/67/1071519067.db2.gz LMYNMUGIAIZAGY-OCKHKDLRSA-N -1 0 564.252 7.108 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408982487 1071525950 /nfs/dbraw/zinc/52/59/50/1071525950.db2.gz HISZYQPKKPVLPK-UCQKPKSFSA-N -1 0 610.448 5.806 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408982555 1071524396 /nfs/dbraw/zinc/52/43/96/1071524396.db2.gz HPXYKRDCQNJQHY-JAIQZWGSSA-N -1 0 676.261 5.770 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408725215 1071521289 /nfs/dbraw/zinc/52/12/89/1071521289.db2.gz IQPUFWPOGRDASO-XKZIYDEJSA-N -1 0 555.414 6.036 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408983100 1071521723 /nfs/dbraw/zinc/52/17/23/1071521723.db2.gz KKUWOUZIVROLLR-LSCVHKIXSA-N -1 0 639.127 7.072 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408983102 1071521766 /nfs/dbraw/zinc/52/17/66/1071521766.db2.gz KLXDLXVHWCYPSK-NDENLUEZSA-N -1 0 618.311 6.962 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408983076 1071521965 /nfs/dbraw/zinc/52/19/65/1071521965.db2.gz KDZWVIMIRNSTBD-XKZIYDEJSA-N -1 0 549.421 5.574 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1 ZINC000408982970 1071523341 /nfs/dbraw/zinc/52/33/41/1071523341.db2.gz JFNJHEXXJMZWDO-OCKHKDLRSA-N -1 0 722.273 5.432 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723600 1071527526 /nfs/dbraw/zinc/52/75/26/1071527526.db2.gz XPSLMEVRAIBGFH-FRKPEAEDSA-N -1 0 633.820 5.551 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1Cl ZINC000408981912 1071530643 /nfs/dbraw/zinc/53/06/43/1071530643.db2.gz DPQNVPAIVQNEJC-QRVIBDJDSA-N -1 0 622.846 6.652 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408981883 1071530735 /nfs/dbraw/zinc/53/07/35/1071530735.db2.gz DGQZCVCECZKKPC-MTJSOVHGSA-N -1 0 535.940 5.065 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCC ZINC000408722580 1071532827 /nfs/dbraw/zinc/53/28/27/1071532827.db2.gz LDZDJORACNKVSY-NTUHNPAUSA-N -1 0 544.254 5.385 40 10 KKCBRM CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I ZINC000408981427 1071533801 /nfs/dbraw/zinc/53/38/01/1071533801.db2.gz BCWWYVKSNWWYNG-MLPAPPSSSA-N -1 0 589.611 5.081 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408981493 1071535058 /nfs/dbraw/zinc/53/50/58/1071535058.db2.gz BKDDEMLWSMWQCL-QQXSKIMKSA-N -1 0 599.481 6.809 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408981515 1071535541 /nfs/dbraw/zinc/53/55/41/1071535541.db2.gz BMLZPOPVXPYWNJ-MTJSOVHGSA-N -1 0 580.391 5.174 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408721992 1071535928 /nfs/dbraw/zinc/53/59/28/1071535928.db2.gz BZNWYYYZQTWXKD-CAOOACKPSA-N -1 0 694.847 5.783 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994978 1071554772 /nfs/dbraw/zinc/55/47/72/1071554772.db2.gz KDMPBOSAMMQBGW-VGOFMYFVSA-N -1 0 740.084 8.244 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1Cl ZINC000408993975 1071561016 /nfs/dbraw/zinc/56/10/16/1071561016.db2.gz XTBJRJVOCDZLOG-JAIQZWGSSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000408994005 1071561586 /nfs/dbraw/zinc/56/15/86/1071561586.db2.gz XZXXAFABNSVONV-UHFFFAOYSA-N -1 0 558.656 5.531 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)cc3)C2=O)c1 ZINC000408993030 1071569045 /nfs/dbraw/zinc/56/90/45/1071569045.db2.gz BNHPICSHDVQBMQ-OEAKJJBVSA-N -1 0 552.368 5.153 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408992840 1071570005 /nfs/dbraw/zinc/57/00/05/1071570005.db2.gz TUUFEVLCUBNXFF-FSJBWODESA-N -1 0 617.108 6.272 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000408992044 1071574702 /nfs/dbraw/zinc/57/47/02/1071574702.db2.gz QGESIBYXWLYOFU-LFIBNONCSA-N -1 0 536.616 5.397 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408990369 1071590126 /nfs/dbraw/zinc/59/01/26/1071590126.db2.gz XFEFVKHZWCONDN-UCQKPKSFSA-N -1 0 518.400 6.280 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408990079 1071592963 /nfs/dbraw/zinc/59/29/63/1071592963.db2.gz VEZMUMWEJFUWPC-PSAPEEBNSA-N -1 0 621.715 5.066 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408989141 1071598347 /nfs/dbraw/zinc/59/83/47/1071598347.db2.gz HCRFKJHWFGNGIA-HYARGMPZSA-N -1 0 686.196 7.401 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408739753 1071600955 /nfs/dbraw/zinc/60/09/55/1071600955.db2.gz FJKCBNPFDFNRSS-CIAFOILYSA-N -1 0 525.388 5.946 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408739816 1071601460 /nfs/dbraw/zinc/60/14/60/1071601460.db2.gz ASOGRMBMLZKGNO-GIJQJNRQSA-N -1 0 729.106 5.904 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408739800 1071601531 /nfs/dbraw/zinc/60/15/31/1071601531.db2.gz APDFUQSQIDCMHX-UDWIEESQSA-N -1 0 584.435 5.019 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408739230 1071604460 /nfs/dbraw/zinc/60/44/60/1071604460.db2.gz ACRNIBGDDUWHFR-SWKFRHMKSA-N -1 0 581.628 6.654 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408988103 1071606760 /nfs/dbraw/zinc/60/67/60/1071606760.db2.gz GWJIRVPAHBEHDN-ONUIUJJFSA-N -1 0 555.428 6.410 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)o3)sc2c1 ZINC000408987971 1071608752 /nfs/dbraw/zinc/60/87/52/1071608752.db2.gz CFDPQXMFWCYNEL-SFQUDFHCSA-N -1 0 507.618 5.271 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408996495 1071618092 /nfs/dbraw/zinc/61/80/92/1071618092.db2.gz PQVGZKMXLABDCH-CIAFOILYSA-N -1 0 558.759 5.190 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408743335 1071618298 /nfs/dbraw/zinc/61/82/98/1071618298.db2.gz SDGVXHOMDPXAGK-USHMODERSA-N -1 0 622.508 8.183 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408742367 1071621739 /nfs/dbraw/zinc/62/17/39/1071621739.db2.gz QTMSFZQIFIBFEC-YDZHTSKRSA-N -1 0 713.391 6.934 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408742758 1071620012 /nfs/dbraw/zinc/62/00/12/1071620012.db2.gz SQGSNAUDBOTIAM-VCHYOVAHSA-N -1 0 697.776 6.434 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000408742921 1071620143 /nfs/dbraw/zinc/62/01/43/1071620143.db2.gz UEAJCTJQKIUTFC-BOPFTXTBSA-N -1 0 532.213 5.303 40 10 KKCBRM O=C([O-])c1ccc(COc2c(I)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408996089 1071620478 /nfs/dbraw/zinc/62/04/78/1071620478.db2.gz KWRRGKSPRHDEBW-UHFFFAOYSA-N -1 0 770.317 6.756 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c2-c2ccccc2)cc1 ZINC000408742790 1071620649 /nfs/dbraw/zinc/62/06/49/1071620649.db2.gz SUEXZENFDRDMFS-OFWBYEQRSA-N -1 0 690.619 7.890 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000408742481 1071621175 /nfs/dbraw/zinc/62/11/75/1071621175.db2.gz RFJNVKMQLUHTFK-WSDLNYQXSA-N -1 0 508.441 5.305 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c1C)CCCC2 ZINC000408744546 1071616043 /nfs/dbraw/zinc/61/60/43/1071616043.db2.gz YMDXYRNQZWOWQK-HAHDFKILSA-N -1 0 545.661 5.494 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[N-]C1=S ZINC000408740857 1071628366 /nfs/dbraw/zinc/62/83/66/1071628366.db2.gz IRVIOWVPILCCBS-GDNBJRDFSA-N -1 0 536.234 6.156 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408741909 1071623882 /nfs/dbraw/zinc/62/38/82/1071623882.db2.gz SKEDHTNLNYQLAF-VCHYOVAHSA-N -1 0 635.106 6.220 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c1C)CCCC2 ZINC000408741587 1071625061 /nfs/dbraw/zinc/62/50/61/1071625061.db2.gz JWBMCKDGMCMIGG-UNOMPAQXSA-N -1 0 586.497 6.184 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)[N-]C2=S)c1 ZINC000408741360 1071625095 /nfs/dbraw/zinc/62/50/95/1071625095.db2.gz PJFWUKKUTOOSTH-RGVLZGJSSA-N -1 0 616.331 6.021 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OCC)c3)C(=O)[N-]C2=S)c1 ZINC000408740874 1071628566 /nfs/dbraw/zinc/62/85/66/1071628566.db2.gz IUMHOKBDRGOSSO-LPYMAVHISA-N -1 0 581.488 5.657 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408740706 1071628994 /nfs/dbraw/zinc/62/89/94/1071628994.db2.gz LUZOMOKKKQMHRL-MYYYXRDXSA-N -1 0 601.453 6.255 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)c1C)CCCC2 ZINC000408740571 1071629666 /nfs/dbraw/zinc/62/96/66/1071629666.db2.gz CESKVKRYWIDCCF-PXLXIMEGSA-N -1 0 547.702 5.351 40 10 KKCBRM CC(C)(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccccc4)o3)C2=O)cc1 ZINC000409005060 1071630690 /nfs/dbraw/zinc/63/06/90/1071630690.db2.gz YYKBQIXEGSNEAW-CPNJWEJPSA-N -1 0 525.424 6.157 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408757082 1071634765 /nfs/dbraw/zinc/63/47/65/1071634765.db2.gz WOJKDLXUYUPFDJ-BUVRLJJBSA-N -1 0 528.406 5.985 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408756574 1071637158 /nfs/dbraw/zinc/63/71/58/1071637158.db2.gz ZZOTVCCXOIPICN-NDENLUEZSA-N -1 0 618.269 5.744 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408756079 1071641064 /nfs/dbraw/zinc/64/10/64/1071641064.db2.gz QSWZZFXHWWATIG-DJKKODMXSA-N -1 0 638.729 7.362 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408755379 1071644369 /nfs/dbraw/zinc/64/43/69/1071644369.db2.gz UMYILCXOINTQEG-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409001568 1071644447 /nfs/dbraw/zinc/64/44/47/1071644447.db2.gz JCYBTNDHVKXPIS-UGOBPDKASA-N -1 0 712.326 7.091 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000409000732 1071648733 /nfs/dbraw/zinc/64/87/33/1071648733.db2.gz ZXUFMNVIPKZNNT-NTEUORMPSA-N -1 0 538.206 6.167 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(I)c3)C2=O)ccc1Br ZINC000408753945 1071653952 /nfs/dbraw/zinc/65/39/52/1071653952.db2.gz OUZRCYFWKHJMLB-OEAKJJBVSA-N -1 0 667.297 6.761 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408753547 1071657576 /nfs/dbraw/zinc/65/75/76/1071657576.db2.gz JKIDOPFLKHENML-QGMBQPNBSA-N -1 0 644.272 5.503 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408753246 1071659125 /nfs/dbraw/zinc/65/91/25/1071659125.db2.gz FWFYRKWKOYMLIE-VXLYETTFSA-N -1 0 679.159 6.537 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)ccc1Br ZINC000408753191 1071659249 /nfs/dbraw/zinc/65/92/49/1071659249.db2.gz IOQNQALCBBIWEB-WSDLNYQXSA-N -1 0 746.193 7.523 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408752478 1071664415 /nfs/dbraw/zinc/66/44/15/1071664415.db2.gz AWCLKVWZDYDZBK-RGVLZGJSSA-N -1 0 632.280 6.303 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)ccc1Br ZINC000408751992 1071667895 /nfs/dbraw/zinc/66/78/95/1071667895.db2.gz BCPQUTMYBFXXLJ-DEDYPNTBSA-N -1 0 509.331 5.142 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c1 ZINC000408751915 1071667905 /nfs/dbraw/zinc/66/79/05/1071667905.db2.gz DRQYUUGVAYNRCK-UHFFFAOYSA-N -1 0 528.973 6.047 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408751993 1071667959 /nfs/dbraw/zinc/66/79/59/1071667959.db2.gz FFSPXHBVHZKJDM-PCLIKHOPSA-N -1 0 585.454 6.555 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)ccc1Br ZINC000408760971 1071694653 /nfs/dbraw/zinc/69/46/53/1071694653.db2.gz BNLQIYUPSSWZTA-RQZCQDPDSA-N -1 0 578.221 6.449 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408760538 1071696299 /nfs/dbraw/zinc/69/62/99/1071696299.db2.gz AKBNHYWVVBGNSN-RGVLZGJSSA-N -1 0 787.186 6.611 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408759024 1071702543 /nfs/dbraw/zinc/70/25/43/1071702543.db2.gz WPYXGQKRFHKBMT-ZVHZXABRSA-N -1 0 619.899 7.208 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409017185 1071704139 /nfs/dbraw/zinc/70/41/39/1071704139.db2.gz XLMDYSQAHDKXEP-GZTJUZNOSA-N -1 0 535.897 6.147 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1Br ZINC000408759950 1071699201 /nfs/dbraw/zinc/69/92/01/1071699201.db2.gz OUPMYJOYAJHOGB-FYJGNVAPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)ccc1Br ZINC000408759963 1071699302 /nfs/dbraw/zinc/69/93/02/1071699302.db2.gz PBRJCOBQRMSHMH-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)ccc1Br ZINC000408760183 1071699317 /nfs/dbraw/zinc/69/93/17/1071699317.db2.gz TZJJGJJZBZVEMO-GIJQJNRQSA-N -1 0 686.127 6.914 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)ccc1Br ZINC000408759451 1071701868 /nfs/dbraw/zinc/70/18/68/1071701868.db2.gz FGFBMGASXNGIMT-CPNJWEJPSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408759208 1071701938 /nfs/dbraw/zinc/70/19/38/1071701938.db2.gz ZUEHNOZGNHLOFF-GIJQJNRQSA-N -1 0 683.578 7.181 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)ccc1Br ZINC000408758538 1071705020 /nfs/dbraw/zinc/70/50/20/1071705020.db2.gz MBZAXELROLQXPP-GIJQJNRQSA-N -1 0 605.228 6.218 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1Cl ZINC000409025474 1071708515 /nfs/dbraw/zinc/70/85/15/1071708515.db2.gz RPMIJGHFNBIRBC-VXLYETTFSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1nn(-c2cccc3ccccc32)c(C)c1C=C1C(=O)[N-]C(=O)N(c2cc(C)c(C)cc2Br)C1=O ZINC000408757382 1071713458 /nfs/dbraw/zinc/71/34/58/1071713458.db2.gz MSUOFNRVVXCVSO-HMAPJEAMSA-N -1 0 543.421 5.688 40 10 KKCBRM Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408757383 1071713571 /nfs/dbraw/zinc/71/35/71/1071713571.db2.gz MTFYASAQIYPRKK-HYARGMPZSA-N -1 0 515.367 5.071 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408766403 1071714473 /nfs/dbraw/zinc/71/44/73/1071714473.db2.gz QALMOPHROCMJDO-RGVLZGJSSA-N -1 0 693.186 6.927 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408766081 1071721145 /nfs/dbraw/zinc/72/11/45/1071721145.db2.gz ZDWYFVSCRZZBAD-NULZLWRNSA-N -1 0 583.482 6.906 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000408766851 1071717768 /nfs/dbraw/zinc/71/77/68/1071717768.db2.gz SXYYHXLVTPPXQE-LDADJPATSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408764762 1071726913 /nfs/dbraw/zinc/72/69/13/1071726913.db2.gz YFVNSURGGUWROB-LICLKQGHSA-N -1 0 504.826 5.886 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408765107 1071725595 /nfs/dbraw/zinc/72/55/95/1071725595.db2.gz ZLMGVSIDARIDPW-GIJQJNRQSA-N -1 0 605.228 6.218 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408763483 1071732256 /nfs/dbraw/zinc/73/22/56/1071732256.db2.gz FSQTXBZYFXZDQR-GIJQJNRQSA-N -1 0 594.676 6.963 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408764532 1071728363 /nfs/dbraw/zinc/72/83/63/1071728363.db2.gz XGXBUIOHFHGDCB-VXLYETTFSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408763987 1071729631 /nfs/dbraw/zinc/72/96/31/1071729631.db2.gz VIQDBEQVWKPHLP-RGVLZGJSSA-N -1 0 632.280 6.303 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409018650 1071731687 /nfs/dbraw/zinc/73/16/87/1071731687.db2.gz HYFMPNOXGQIYGD-STBIYBPSSA-N -1 0 570.114 6.775 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408762442 1071735943 /nfs/dbraw/zinc/73/59/43/1071735943.db2.gz KLUDJMCCCXJXRL-KGENOOAVSA-N -1 0 535.394 5.402 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Br ZINC000408761947 1071737168 /nfs/dbraw/zinc/73/71/68/1071737168.db2.gz IDDWDLZMWIFXJC-YBEGLDIGSA-N -1 0 575.169 5.355 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408763144 1071733265 /nfs/dbraw/zinc/73/32/65/1071733265.db2.gz RLIIXMBSUMCJBA-MYYYXRDXSA-N -1 0 664.521 6.262 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408763001 1071733655 /nfs/dbraw/zinc/73/36/55/1071733655.db2.gz GTXGGNCHZUHLCB-VXLYETTFSA-N -1 0 645.260 5.682 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)ccc1Br ZINC000408762827 1071734063 /nfs/dbraw/zinc/73/40/63/1071734063.db2.gz GLIMENRKXXHNOG-WSDLNYQXSA-N -1 0 610.291 7.463 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3)C2=O)ccc1Br ZINC000408762949 1071734663 /nfs/dbraw/zinc/73/46/63/1071734663.db2.gz CRKRTBHZANVMRE-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408776067 1071751996 /nfs/dbraw/zinc/75/19/96/1071751996.db2.gz MWTNGRYPCSWWQB-VCHYOVAHSA-N -1 0 596.277 5.837 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C2=O)c1 ZINC000408776819 1071748487 /nfs/dbraw/zinc/74/84/87/1071748487.db2.gz ZOGXRFHSHKSHDG-SRZZPIQSSA-N -1 0 630.289 5.864 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408776428 1071749533 /nfs/dbraw/zinc/74/95/33/1071749533.db2.gz ORVIAZMWACRFIT-CAOOACKPSA-N -1 0 599.776 6.920 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408776403 1071749551 /nfs/dbraw/zinc/74/95/51/1071749551.db2.gz OELAZNUWLXNYRK-FYJGNVAPSA-N -1 0 570.885 7.060 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(I)c1 ZINC000408775406 1071755168 /nfs/dbraw/zinc/75/51/68/1071755168.db2.gz PWJPGYSSMSGFJR-VCHYOVAHSA-N -1 0 637.655 5.953 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000408775463 1071755227 /nfs/dbraw/zinc/75/52/27/1071755227.db2.gz HIMMJAOXSNMWKA-YBFXNURJSA-N -1 0 637.655 5.953 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408774947 1071757424 /nfs/dbraw/zinc/75/74/24/1071757424.db2.gz DQBFPNFBYNTTMT-CIAFOILYSA-N -1 0 630.358 6.193 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000408774324 1071763031 /nfs/dbraw/zinc/76/30/31/1071763031.db2.gz CBISOEAFFMWHGO-CIAFOILYSA-N -1 0 550.365 5.220 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408773724 1071766249 /nfs/dbraw/zinc/76/62/49/1071766249.db2.gz IWNWGKCCCDQRFP-NTEUORMPSA-N -1 0 549.820 5.865 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(I)c3)C2=O)c1 ZINC000408773334 1071767496 /nfs/dbraw/zinc/76/74/96/1071767496.db2.gz ICLXEXRBBHGPNQ-UDWIEESQSA-N -1 0 570.358 5.293 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408773087 1071769964 /nfs/dbraw/zinc/76/99/64/1071769964.db2.gz GCFSIQQRCIXRKZ-HYARGMPZSA-N -1 0 614.461 5.109 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408773175 1071769993 /nfs/dbraw/zinc/76/99/93/1071769993.db2.gz HFRWMPVDOYPYBT-SRZZPIQSSA-N -1 0 569.839 5.973 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000408772939 1071770505 /nfs/dbraw/zinc/77/05/05/1071770505.db2.gz OCXNNUQTCXPGMJ-PCLIKHOPSA-N -1 0 546.117 6.535 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408772358 1071773939 /nfs/dbraw/zinc/77/39/39/1071773939.db2.gz KXUOLJDIWSSPNC-QGMBQPNBSA-N -1 0 639.127 7.072 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408772217 1071775058 /nfs/dbraw/zinc/77/50/58/1071775058.db2.gz CSETZIJWVIITNV-UDWIEESQSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1 ZINC000408772233 1071775161 /nfs/dbraw/zinc/77/51/61/1071775161.db2.gz CVIXPOLHIZWDBY-QGMBQPNBSA-N -1 0 733.127 6.756 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(I)c3)C2=O)cc1 ZINC000408772072 1071776147 /nfs/dbraw/zinc/77/61/47/1071776147.db2.gz KDUUJVWQFUTPJH-VCHYOVAHSA-N -1 0 635.227 5.747 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1 ZINC000408772065 1071776161 /nfs/dbraw/zinc/77/61/61/1071776161.db2.gz KBDQXQPBDDMWSA-VXLYETTFSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408771933 1071777237 /nfs/dbraw/zinc/77/72/37/1071777237.db2.gz JDKJYZUDGBIQPW-BRJLIKDPSA-N -1 0 666.052 8.194 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408771460 1071779972 /nfs/dbraw/zinc/77/99/72/1071779972.db2.gz GPAKYOCLECZUCL-WOJGMQOQSA-N -1 0 575.952 6.453 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408770857 1071783182 /nfs/dbraw/zinc/78/31/82/1071783182.db2.gz BJLLSSVEJMFYEH-CVKSISIWSA-N -1 0 555.030 6.754 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408770765 1071784433 /nfs/dbraw/zinc/78/44/33/1071784433.db2.gz CEVVLXZDHVZRAV-FSJBWODESA-N -1 0 611.523 5.098 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408769693 1071790229 /nfs/dbraw/zinc/79/02/29/1071790229.db2.gz ZJSLDRKUNKGMQN-MFKUBSTISA-N -1 0 508.534 5.189 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409031049 1071791641 /nfs/dbraw/zinc/79/16/41/1071791641.db2.gz GKMOWKIRIFXBST-MKMNVTDBSA-N -1 0 571.285 6.772 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408769660 1071792312 /nfs/dbraw/zinc/79/23/12/1071792312.db2.gz YRBBHWZEOMOLDJ-VXLYETTFSA-N -1 0 576.230 6.010 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408769092 1071794415 /nfs/dbraw/zinc/79/44/15/1071794415.db2.gz NPIXYZGQBPFJCK-OEAKJJBVSA-N -1 0 520.427 5.821 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408769115 1071795011 /nfs/dbraw/zinc/79/50/11/1071795011.db2.gz OFKUFQBSIYJKFC-OMCISZLKSA-N -1 0 725.672 7.524 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408768962 1071795592 /nfs/dbraw/zinc/79/55/92/1071795592.db2.gz NBRCZCQHMKQOMG-RGVLZGJSSA-N -1 0 553.384 5.459 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408768332 1071802232 /nfs/dbraw/zinc/80/22/32/1071802232.db2.gz FGYNWOSWDDVSSF-CAOOACKPSA-N -1 0 666.827 5.355 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[N-]C1=S ZINC000408767823 1071805665 /nfs/dbraw/zinc/80/56/65/1071805665.db2.gz PEXRNWFBJBDLGZ-KGENOOAVSA-N -1 0 555.441 5.092 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)[N-]C1=S ZINC000408767844 1071805757 /nfs/dbraw/zinc/80/57/57/1071805757.db2.gz PTNUSQCQOWJVFG-GZTJUZNOSA-N -1 0 575.952 6.453 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408768055 1071805105 /nfs/dbraw/zinc/80/51/05/1071805105.db2.gz SLUYAEKIUWPWJH-WSDLNYQXSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408782254 1071811232 /nfs/dbraw/zinc/81/12/32/1071811232.db2.gz GLVLDSMLFWVBIU-YBFXNURJSA-N -1 0 562.903 6.142 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408782131 1071812584 /nfs/dbraw/zinc/81/25/84/1071812584.db2.gz HTRURQAWJTYGEX-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408781767 1071815665 /nfs/dbraw/zinc/81/56/65/1071815665.db2.gz FQFXRHRQPDVHFA-IPPBACCNSA-N -1 0 537.635 6.367 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408781758 1071815682 /nfs/dbraw/zinc/81/56/82/1071815682.db2.gz DJSGAUMVNVZCLL-DJKKODMXSA-N -1 0 651.284 6.469 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408781447 1071818061 /nfs/dbraw/zinc/81/80/61/1071818061.db2.gz SKKOKDKKHZEOGX-UDWIEESQSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408780480 1071823048 /nfs/dbraw/zinc/82/30/48/1071823048.db2.gz ZPHQKYHSYZDZTH-ZVHZXABRSA-N -1 0 646.410 6.132 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408781141 1071820047 /nfs/dbraw/zinc/82/00/47/1071820047.db2.gz AVVBPLGEOQRIMA-MFKUBSTISA-N -1 0 541.003 6.446 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409047092 1071826385 /nfs/dbraw/zinc/82/63/85/1071826385.db2.gz MXKTXGGKISUJRL-VXLYETTFSA-N -1 0 647.309 6.147 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408779802 1071827544 /nfs/dbraw/zinc/82/75/44/1071827544.db2.gz KUYLEIYZBHADEG-ZVHZXABRSA-N -1 0 662.478 6.297 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1Cl ZINC000409046787 1071828079 /nfs/dbraw/zinc/82/80/79/1071828079.db2.gz MCMAUQJSAAJTRP-YBFXNURJSA-N -1 0 568.811 5.095 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408780401 1071824797 /nfs/dbraw/zinc/82/47/97/1071824797.db2.gz CCBUIJJKOSJSSP-YZSQISJMSA-N -1 0 506.558 5.792 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408780414 1071824876 /nfs/dbraw/zinc/82/48/76/1071824876.db2.gz XXNHEXIDIAYSDN-CAOOACKPSA-N -1 0 735.678 6.980 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)c1 ZINC000408779345 1071830377 /nfs/dbraw/zinc/83/03/77/1071830377.db2.gz CZRMOYIYDCOGJK-KEBDBYFISA-N -1 0 663.160 6.836 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408779444 1071830893 /nfs/dbraw/zinc/83/08/93/1071830893.db2.gz FAEWKBYPGJTXPR-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408778657 1071835691 /nfs/dbraw/zinc/83/56/91/1071835691.db2.gz JRXLMWOOJFJISG-VXLYETTFSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408779264 1071831450 /nfs/dbraw/zinc/83/14/50/1071831450.db2.gz CNLLBSOXJDINMH-YBFXNURJSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408779271 1071831537 /nfs/dbraw/zinc/83/15/37/1071831537.db2.gz CORCOFTWFQWMIX-CIAFOILYSA-N -1 0 627.391 5.152 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408779273 1071832097 /nfs/dbraw/zinc/83/20/97/1071832097.db2.gz COZPQUPKOTUEMF-VXLYETTFSA-N -1 0 599.821 5.475 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000408778925 1071833437 /nfs/dbraw/zinc/83/34/37/1071833437.db2.gz MXJGDAKFQCOZBL-RQZCQDPDSA-N -1 0 702.645 5.934 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409046478 1071833467 /nfs/dbraw/zinc/83/34/67/1071833467.db2.gz KVXVUOKIYVHCBT-WSDLNYQXSA-N -1 0 562.365 6.300 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408778991 1071834105 /nfs/dbraw/zinc/83/41/05/1071834105.db2.gz ONFAEACLQAMNOK-QGMBQPNBSA-N -1 0 594.676 6.963 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409046074 1071834635 /nfs/dbraw/zinc/83/46/35/1071834635.db2.gz IHSHRAGVOHNJEQ-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409046066 1071834695 /nfs/dbraw/zinc/83/46/95/1071834695.db2.gz IFZPYCHLAMVJPM-FYJGNVAPSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409045308 1071842681 /nfs/dbraw/zinc/84/26/81/1071842681.db2.gz ILHCKGBZTIWWSO-VXLYETTFSA-N -1 0 694.309 5.989 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)C1=O ZINC000409045306 1071842865 /nfs/dbraw/zinc/84/28/65/1071842865.db2.gz GCJICACWCGRTBL-DJKKODMXSA-N -1 0 622.672 6.558 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000409045176 1071841454 /nfs/dbraw/zinc/84/14/54/1071841454.db2.gz HXCFLIUZVRIWGG-RGVLZGJSSA-N -1 0 600.263 5.774 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409046021 1071837097 /nfs/dbraw/zinc/83/70/97/1071837097.db2.gz HXUBHYQPLUWIBH-VXLYETTFSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409046050 1071837732 /nfs/dbraw/zinc/83/77/32/1071837732.db2.gz IJAWXWUIJQFSJA-UXHLAJHPSA-N -1 0 712.394 8.189 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409045771 1071837848 /nfs/dbraw/zinc/83/78/48/1071837848.db2.gz HXNOISNODJIULX-MFKUBSTISA-N -1 0 607.877 7.471 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409045052 1071842573 /nfs/dbraw/zinc/84/25/73/1071842573.db2.gz XXRLXGIORVMXKR-LZYBPNLTSA-N -1 0 689.165 6.261 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409044824 1071846046 /nfs/dbraw/zinc/84/60/46/1071846046.db2.gz DMVCJRLISIYNBL-KEBDBYFISA-N -1 0 675.160 7.917 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1 ZINC000409044715 1071847432 /nfs/dbraw/zinc/84/74/32/1071847432.db2.gz WUJXECBZOLAVQX-RGVLZGJSSA-N -1 0 543.334 5.165 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000409044404 1071849704 /nfs/dbraw/zinc/84/97/04/1071849704.db2.gz COVDZSNQONQFCG-RGVLZGJSSA-N -1 0 693.142 6.006 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409044407 1071849804 /nfs/dbraw/zinc/84/98/04/1071849804.db2.gz BXWVNLWMPPZZKV-YDZHTSKRSA-N -1 0 562.365 6.300 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409044352 1071849881 /nfs/dbraw/zinc/84/98/81/1071849881.db2.gz CGXLMAOKEUUAOC-VCHYOVAHSA-N -1 0 501.753 5.892 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408786435 1071850950 /nfs/dbraw/zinc/85/09/50/1071850950.db2.gz JYJLLGSMIXQKLB-XDHOZWIPSA-N -1 0 525.388 5.864 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408786174 1071851910 /nfs/dbraw/zinc/85/19/10/1071851910.db2.gz GEWDWQWKEYTBKS-RQZCQDPDSA-N -1 0 697.309 6.259 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409044082 1071853140 /nfs/dbraw/zinc/85/31/40/1071853140.db2.gz GOKIAIJGRZROMD-AFUMVMLFSA-N -1 0 680.324 7.175 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409043767 1071855811 /nfs/dbraw/zinc/85/58/11/1071855811.db2.gz AMKHINNBYLGQMY-DJKKODMXSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409043751 1071855831 /nfs/dbraw/zinc/85/58/31/1071855831.db2.gz AIFXKPJWVLFJLR-CAOOACKPSA-N -1 0 625.100 6.764 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408786166 1071853710 /nfs/dbraw/zinc/85/37/10/1071853710.db2.gz GAXFZTWIXYTUAL-SRZZPIQSSA-N -1 0 580.391 5.228 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)c1C)CCCC2 ZINC000408785943 1071853818 /nfs/dbraw/zinc/85/38/18/1071853818.db2.gz CEGQQMCCKCONIZ-KGENOOAVSA-N -1 0 531.634 5.104 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409043733 1071854982 /nfs/dbraw/zinc/85/49/82/1071854982.db2.gz AERSOWQDWBLELG-RGVLZGJSSA-N -1 0 659.864 5.336 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)c1C)CCCC2 ZINC000408785735 1071855258 /nfs/dbraw/zinc/85/52/58/1071855258.db2.gz BJDXPMMDQCTLPA-KGENOOAVSA-N -1 0 547.702 5.269 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408785677 1071856432 /nfs/dbraw/zinc/85/64/32/1071856432.db2.gz AOKBCOGHRFILBA-VXLYETTFSA-N -1 0 651.682 6.261 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000409043628 1071857114 /nfs/dbraw/zinc/85/71/14/1071857114.db2.gz SIXMIJPCGBYELG-YBFXNURJSA-N -1 0 614.246 5.244 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408785242 1071858529 /nfs/dbraw/zinc/85/85/29/1071858529.db2.gz XKPSRHSFCRMWNG-MFKUBSTISA-N -1 0 632.454 6.397 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)c1 ZINC000408785423 1071858577 /nfs/dbraw/zinc/85/85/77/1071858577.db2.gz YVBLQWPVVNXPCX-MFKUBSTISA-N -1 0 555.428 6.465 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408785037 1071859359 /nfs/dbraw/zinc/85/93/59/1071859359.db2.gz FLZWNCLLWHIZCM-RGVLZGJSSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408784635 1071863433 /nfs/dbraw/zinc/86/34/33/1071863433.db2.gz VKBJTYMFVXJAHH-JJIBRWJFSA-N -1 0 542.458 6.047 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408784567 1071862612 /nfs/dbraw/zinc/86/26/12/1071862612.db2.gz UXXGNDYNVWSNBR-VIZOYTHASA-N -1 0 738.831 5.636 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409043130 1071863876 /nfs/dbraw/zinc/86/38/76/1071863876.db2.gz PZDHALZMALEUHK-SRZZPIQSSA-N -1 0 612.864 5.494 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409042704 1071865508 /nfs/dbraw/zinc/86/55/08/1071865508.db2.gz OFQAAVNZYUDXRV-VCHYOVAHSA-N -1 0 501.753 5.892 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)c1 ZINC000408783286 1071870890 /nfs/dbraw/zinc/87/08/90/1071870890.db2.gz NTWKPMNGLYZDFU-KEBDBYFISA-N -1 0 665.709 6.569 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408784039 1071866697 /nfs/dbraw/zinc/86/66/97/1071866697.db2.gz QRQNWJOPAJKAEX-CIAFOILYSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408783699 1071867510 /nfs/dbraw/zinc/86/75/10/1071867510.db2.gz QGQNRCZANWAOIX-WSDLNYQXSA-N -1 0 567.411 5.849 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408783051 1071873753 /nfs/dbraw/zinc/87/37/53/1071873753.db2.gz JPMUSEACNQBUSY-FYJGNVAPSA-N -1 0 510.421 6.365 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408782832 1071874222 /nfs/dbraw/zinc/87/42/22/1071874222.db2.gz JYAAMMOWEVEDNC-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409041090 1071882642 /nfs/dbraw/zinc/88/26/42/1071882642.db2.gz IEMHHGMDKKBBSH-VCHYOVAHSA-N -1 0 546.204 6.001 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408796105 1071879790 /nfs/dbraw/zinc/87/97/90/1071879790.db2.gz DPNUUFVPDSQKIW-HYARGMPZSA-N -1 0 583.822 5.525 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409041493 1071880490 /nfs/dbraw/zinc/88/04/90/1071880490.db2.gz JRRZXJMYGKPSBC-CIAFOILYSA-N -1 0 648.329 5.571 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408791053 1071892288 /nfs/dbraw/zinc/89/22/88/1071892288.db2.gz VHWOXXSDTBFNCA-SRZZPIQSSA-N -1 0 630.358 6.247 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409039990 1071894190 /nfs/dbraw/zinc/89/41/90/1071894190.db2.gz DZJBVUORYUHSEO-QGMBQPNBSA-N -1 0 643.090 6.903 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408806469 1071903773 /nfs/dbraw/zinc/90/37/73/1071903773.db2.gz NHBMZODFLOXGLA-UDWIEESQSA-N -1 0 525.344 5.025 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408806431 1071904382 /nfs/dbraw/zinc/90/43/82/1071904382.db2.gz NCEQURFJRDMQLA-OEAKJJBVSA-N -1 0 534.996 5.771 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408805951 1071905182 /nfs/dbraw/zinc/90/51/82/1071905182.db2.gz CXRKXWRTJKCLBR-DJKKODMXSA-N -1 0 542.331 5.156 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C1=O ZINC000409039283 1071900732 /nfs/dbraw/zinc/90/07/32/1071900732.db2.gz CFMHRNSLVBJEJN-CIAFOILYSA-N -1 0 565.840 7.354 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408807233 1071901343 /nfs/dbraw/zinc/90/13/43/1071901343.db2.gz GORGCNFELOJKOD-WOJGMQOQSA-N -1 0 546.204 6.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408806876 1071902631 /nfs/dbraw/zinc/90/26/31/1071902631.db2.gz NMWPNCKKBYFIPL-OGLMXYFKSA-N -1 0 641.518 6.981 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408806645 1071903100 /nfs/dbraw/zinc/90/31/00/1071903100.db2.gz FZUONOPYSJSOKB-XNTDXEJSSA-N -1 0 568.795 5.107 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408805267 1071907038 /nfs/dbraw/zinc/90/70/38/1071907038.db2.gz FPMPZFZOEHSDET-DJKKODMXSA-N -1 0 653.256 5.948 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408804590 1071908803 /nfs/dbraw/zinc/90/88/03/1071908803.db2.gz YOVMRXGMUILAEW-RGVLZGJSSA-N -1 0 511.361 5.556 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408804811 1071908825 /nfs/dbraw/zinc/90/88/25/1071908825.db2.gz BLLSYTMVPJRUQJ-YDZHTSKRSA-N -1 0 610.448 5.861 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408803027 1071910539 /nfs/dbraw/zinc/91/05/39/1071910539.db2.gz KMNWGWIKSNXYRV-PCLIKHOPSA-N -1 0 554.986 5.915 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408803041 1071910848 /nfs/dbraw/zinc/91/08/48/1071910848.db2.gz KQAYJRCPPOJLMN-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408802517 1071911855 /nfs/dbraw/zinc/91/18/55/1071911855.db2.gz FSQPAHTVAZMLRM-WGOQTCKBSA-N -1 0 628.435 6.182 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000408802258 1071911944 /nfs/dbraw/zinc/91/19/44/1071911944.db2.gz YRWMSPIAWSOJSD-WSDLNYQXSA-N -1 0 509.389 6.164 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2Cl)C1=O ZINC000409056620 1071920285 /nfs/dbraw/zinc/92/02/85/1071920285.db2.gz NADZEBWPSPAIMP-LICLKQGHSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)C1=O ZINC000409047481 1071916249 /nfs/dbraw/zinc/91/62/49/1071916249.db2.gz NYJQFTGBTOLMHC-GIJQJNRQSA-N -1 0 604.682 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409054431 1071916726 /nfs/dbraw/zinc/91/67/26/1071916726.db2.gz GAMDHDNHTUYWLD-VXLYETTFSA-N -1 0 519.743 6.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409056338 1071922006 /nfs/dbraw/zinc/92/20/06/1071922006.db2.gz LORILZRFJLXCQC-FSJBWODESA-N -1 0 640.715 7.264 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)C1=O ZINC000409056384 1071922352 /nfs/dbraw/zinc/92/23/52/1071922352.db2.gz LWGMNUZUTAMXLV-VCHYOVAHSA-N -1 0 683.578 7.181 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409055370 1071928946 /nfs/dbraw/zinc/92/89/46/1071928946.db2.gz IDHLQKTUKBHINI-UDWIEESQSA-N -1 0 640.715 7.264 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409052714 1071944974 /nfs/dbraw/zinc/94/49/74/1071944974.db2.gz AALPRDGOYKVNBK-QGMBQPNBSA-N -1 0 560.777 6.109 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409050377 1071958413 /nfs/dbraw/zinc/95/84/13/1071958413.db2.gz VDISCWDHVYNRTC-GIJQJNRQSA-N -1 0 651.105 5.925 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409050426 1071958471 /nfs/dbraw/zinc/95/84/71/1071958471.db2.gz VOMMTKRPKJKSJH-VIZOYTHASA-N -1 0 611.317 6.237 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409049805 1071962928 /nfs/dbraw/zinc/96/29/28/1071962928.db2.gz XOCMAMHKCBHCEI-QGMBQPNBSA-N -1 0 546.750 5.800 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409049570 1071963014 /nfs/dbraw/zinc/96/30/14/1071963014.db2.gz WQLLALFUZSRWLF-CXUHLZMHSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409049612 1071963364 /nfs/dbraw/zinc/96/33/64/1071963364.db2.gz XGDZXDXFWYOFSN-LZYBPNLTSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409049406 1071965521 /nfs/dbraw/zinc/96/55/21/1071965521.db2.gz WQFZJOOPFRIOEG-SRZZPIQSSA-N -1 0 675.160 7.917 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000409049078 1071967846 /nfs/dbraw/zinc/96/78/46/1071967846.db2.gz VZPFJGLIJNDGFR-FYJGNVAPSA-N -1 0 664.328 5.353 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409049101 1071968312 /nfs/dbraw/zinc/96/83/12/1071968312.db2.gz WGCAKTMGZTYGAY-OEAKJJBVSA-N -1 0 517.368 6.392 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409048561 1071969899 /nfs/dbraw/zinc/96/98/99/1071969899.db2.gz RZHGBCDOMNYJAO-DJKKODMXSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409048656 1071970517 /nfs/dbraw/zinc/97/05/17/1071970517.db2.gz UDGAUHKEHJTPHL-GIJQJNRQSA-N -1 0 591.201 5.910 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409048287 1071972103 /nfs/dbraw/zinc/97/21/03/1071972103.db2.gz SFSRCVHPHFJQSC-CVKSISIWSA-N -1 0 587.459 7.126 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409048181 1071973899 /nfs/dbraw/zinc/97/38/99/1071973899.db2.gz QYLPHVNSYXFZFP-WOJGMQOQSA-N -1 0 598.837 5.103 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409047752 1071977846 /nfs/dbraw/zinc/97/78/46/1071977846.db2.gz PJOMRSLDDJHXRQ-CAOOACKPSA-N -1 0 546.750 5.800 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409047653 1071979803 /nfs/dbraw/zinc/97/98/03/1071979803.db2.gz PGDKPZDBRWEFQL-VCHYOVAHSA-N -1 0 603.256 5.748 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409059205 1071981690 /nfs/dbraw/zinc/98/16/90/1071981690.db2.gz VKXOMXXJWWEJMC-VXLYETTFSA-N -1 0 564.194 6.140 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409059161 1071983370 /nfs/dbraw/zinc/98/33/70/1071983370.db2.gz UPNBSEMQIXBZAI-RGVLZGJSSA-N -1 0 615.234 5.674 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2Cl)C1=O ZINC000409057586 1071991262 /nfs/dbraw/zinc/99/12/62/1071991262.db2.gz QAZAFQRECJKKRQ-GIJQJNRQSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409058114 1071989074 /nfs/dbraw/zinc/98/90/74/1071989074.db2.gz RIRNQRRBHKIEFY-CAOOACKPSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409057496 1071992421 /nfs/dbraw/zinc/99/24/21/1071992421.db2.gz PJBDRNGTVVWEMB-ZVHZXABRSA-N -1 0 591.422 6.957 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409057479 1071992489 /nfs/dbraw/zinc/99/24/89/1071992489.db2.gz PDKYGQPFNWVJFI-QGMBQPNBSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409057529 1071993060 /nfs/dbraw/zinc/99/30/60/1071993060.db2.gz PQHPDEZIAYKARR-LICLKQGHSA-N -1 0 580.649 6.655 40 10 KKCBRM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065721 1072008028 /nfs/dbraw/zinc/00/80/28/1072008028.db2.gz JCULMIVFYPLRDQ-UHFFFAOYSA-N -1 0 641.474 6.708 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409064896 1072011292 /nfs/dbraw/zinc/01/12/92/1072011292.db2.gz IUQYOYUEUIOQHP-LFIBNONCSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409063810 1072019280 /nfs/dbraw/zinc/01/92/80/1072019280.db2.gz DUKVQOXPFPWQIN-HZHRSRAPSA-N -1 0 540.406 6.816 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409063821 1072019403 /nfs/dbraw/zinc/01/94/03/1072019403.db2.gz ACEIHRGIZUZISA-VXLYETTFSA-N -1 0 609.871 5.788 40 10 KKCBRM Cc1ccc(NC(=O)c2c([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000409061595 1072027964 /nfs/dbraw/zinc/02/79/64/1072027964.db2.gz GFJXJABMPAJJAJ-SFHVURJKSA-N -1 0 541.695 6.477 40 10 KKCBRM CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409060209 1072036516 /nfs/dbraw/zinc/03/65/16/1072036516.db2.gz YKLQLFWKWZJKBD-NTUHNPAUSA-N -1 0 556.638 5.566 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076530 1072051248 /nfs/dbraw/zinc/05/12/48/1072051248.db2.gz AJNCFLGTTNFQTA-FRKPEAEDSA-N -1 0 577.720 5.922 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409075863 1072055790 /nfs/dbraw/zinc/05/57/90/1072055790.db2.gz UUNKNSGZJUMADU-ZVHZXABRSA-N -1 0 746.817 6.878 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409074328 1072068712 /nfs/dbraw/zinc/06/87/12/1072068712.db2.gz ZBVVOZSGWJCXAB-KOEQRZSOSA-N -1 0 589.025 5.353 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073383 1072075352 /nfs/dbraw/zinc/07/53/52/1072075352.db2.gz YKGNLUZFGZBXPE-OVVQPSECSA-N -1 0 633.078 5.752 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409071236 1072090496 /nfs/dbraw/zinc/09/04/96/1072090496.db2.gz QBNPHVZRHBZPHT-VCHYOVAHSA-N -1 0 581.817 5.090 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070349 1072095615 /nfs/dbraw/zinc/09/56/15/1072095615.db2.gz LPMOFJXASCYZAC-LICLKQGHSA-N -1 0 687.295 5.349 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070226 1072097137 /nfs/dbraw/zinc/09/71/37/1072097137.db2.gz DYWXIECTZWOGDY-WOJGMQOQSA-N -1 0 640.693 5.299 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409070023 1072097578 /nfs/dbraw/zinc/09/75/78/1072097578.db2.gz MQQGRWCPRBZOGV-LICLKQGHSA-N -1 0 640.693 5.299 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409070267 1072097623 /nfs/dbraw/zinc/09/76/23/1072097623.db2.gz LGUKCVNFQSOKJB-CAOOACKPSA-N -1 0 600.263 6.043 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067993 1072114452 /nfs/dbraw/zinc/11/44/52/1072114452.db2.gz FFUOHNSWZCYYFZ-LICLKQGHSA-N -1 0 595.844 5.398 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067413 1072117467 /nfs/dbraw/zinc/11/74/67/1072117467.db2.gz QPUXHHZRMYNUHS-MFKUBSTISA-N -1 0 653.496 6.015 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409080697 1072120169 /nfs/dbraw/zinc/12/01/69/1072120169.db2.gz NTHHYAHAYJHWIB-XYGWBWBKSA-N -1 0 603.509 6.651 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409079780 1072128801 /nfs/dbraw/zinc/12/88/01/1072128801.db2.gz LPNSCEAYAMJUIO-ZDLGFXPLSA-N -1 0 531.830 5.726 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409079465 1072135339 /nfs/dbraw/zinc/13/53/39/1072135339.db2.gz GBVMPUODLJSHEY-XDHOZWIPSA-N -1 0 575.883 6.124 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409077955 1072150205 /nfs/dbraw/zinc/15/02/05/1072150205.db2.gz GQWCEQPKNXLFBU-OVCLIPMQSA-N -1 0 675.138 5.953 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409077700 1072153772 /nfs/dbraw/zinc/15/37/72/1072153772.db2.gz FKYWDPABJQHMFY-VCHYOVAHSA-N -1 0 582.909 5.022 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077314 1072155654 /nfs/dbraw/zinc/15/56/54/1072155654.db2.gz DOARMOARTKZYNR-VXLYETTFSA-N -1 0 648.388 6.850 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409077417 1072156689 /nfs/dbraw/zinc/15/66/89/1072156689.db2.gz DPZFXSSMROQPBD-LZYBPNLTSA-N -1 0 610.726 6.488 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409077404 1072156702 /nfs/dbraw/zinc/15/67/02/1072156702.db2.gz DMEGCKYRKSOCAZ-RQZCQDPDSA-N -1 0 690.213 5.273 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)SC2=S)c1 ZINC000409086560 1072164602 /nfs/dbraw/zinc/16/46/02/1072164602.db2.gz FFBUCENDEAJYRQ-UFFVCSGVSA-N -1 0 595.323 7.439 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084348 1072190222 /nfs/dbraw/zinc/19/02/22/1072190222.db2.gz WYSFCYCSHLICNS-FRKPEAEDSA-N -1 0 678.779 5.537 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083468 1072200202 /nfs/dbraw/zinc/20/02/02/1072200202.db2.gz VNCQHSALEOPVEQ-GIJQJNRQSA-N -1 0 566.910 5.241 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081437 1072223080 /nfs/dbraw/zinc/22/30/80/1072223080.db2.gz PDBHTRDBKTUWIJ-LZYBPNLTSA-N -1 0 584.265 6.518 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081966 1072218899 /nfs/dbraw/zinc/21/88/99/1072218899.db2.gz OXBJCRGJQLCSAC-OVCLIPMQSA-N -1 0 678.779 5.537 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409097144 1072230610 /nfs/dbraw/zinc/23/06/10/1072230610.db2.gz MPQOCTYWJMMPOD-VCHYOVAHSA-N -1 0 559.236 6.970 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)[N-]C1=S ZINC000409097217 1072229686 /nfs/dbraw/zinc/22/96/86/1072229686.db2.gz LUAGSQGLUGRELV-GXDHUFHOSA-N -1 0 536.234 6.156 40 10 KKCBRM Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000409097045 1072230135 /nfs/dbraw/zinc/23/01/35/1072230135.db2.gz MCGSUYUYJHVFCB-ZVHZXABRSA-N -1 0 502.592 6.241 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c1 ZINC000409095582 1072239040 /nfs/dbraw/zinc/23/90/40/1072239040.db2.gz HUHHEFRYHSSOFL-SRZZPIQSSA-N -1 0 560.878 6.786 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409326897 1072244027 /nfs/dbraw/zinc/24/40/27/1072244027.db2.gz GDKDPFKGPUEDNT-YBFXNURJSA-N -1 0 642.949 6.140 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409094442 1072246365 /nfs/dbraw/zinc/24/63/65/1072246365.db2.gz DEIZZGNILLTRIJ-USHMODERSA-N -1 0 620.130 7.313 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409093390 1072252191 /nfs/dbraw/zinc/25/21/91/1072252191.db2.gz ZLOOVOUDCGXOEO-VIZOYTHASA-N -1 0 666.622 6.140 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1C ZINC000409093399 1072252241 /nfs/dbraw/zinc/25/22/41/1072252241.db2.gz ZOYQTCXKIIGODU-VCHYOVAHSA-N -1 0 604.335 6.452 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092666 1072260358 /nfs/dbraw/zinc/26/03/58/1072260358.db2.gz VOHSONSAFIHFIT-FRKPEAEDSA-N -1 0 700.174 6.506 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091111 1072275069 /nfs/dbraw/zinc/27/50/69/1072275069.db2.gz PIPSTXPPYWUOJY-GIJQJNRQSA-N -1 0 589.910 6.351 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089717 1072286243 /nfs/dbraw/zinc/28/62/43/1072286243.db2.gz JWFASICHFXRQTP-FRKPEAEDSA-N -1 0 687.752 6.339 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409089805 1072287057 /nfs/dbraw/zinc/28/70/57/1072287057.db2.gz KDMHZGIPWMHFCE-CXUHLZMHSA-N -1 0 655.177 6.597 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088054 1072302899 /nfs/dbraw/zinc/30/28/99/1072302899.db2.gz VXRVFKQVWWLBLS-FRKPEAEDSA-N -1 0 640.752 6.497 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409099592 1072325285 /nfs/dbraw/zinc/32/52/85/1072325285.db2.gz REVRKGRFAPSOIR-ZVBGSRNCSA-N -1 0 672.349 7.290 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(OC)cc4OC)C3=O)c1C)CCCC2 ZINC000409098026 1072335047 /nfs/dbraw/zinc/33/50/47/1072335047.db2.gz PEAHRAKAFOEFTK-KGENOOAVSA-N -1 0 593.727 5.060 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409097334 1072337809 /nfs/dbraw/zinc/33/78/09/1072337809.db2.gz LZKBICCWSRTCCJ-UNOMPAQXSA-N -1 0 589.886 5.800 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409106660 1072341647 /nfs/dbraw/zinc/34/16/47/1072341647.db2.gz OPHXQLVBRZKUGI-JJIBRWJFSA-N -1 0 629.207 7.080 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)[N-]C1=S ZINC000409106239 1072344442 /nfs/dbraw/zinc/34/44/42/1072344442.db2.gz MTXJLBDCIXHVSW-PCLIKHOPSA-N -1 0 536.056 6.636 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409105749 1072348529 /nfs/dbraw/zinc/34/85/29/1072348529.db2.gz OHKVFIZTKGWBAK-LICLKQGHSA-N -1 0 512.834 5.357 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409333033 1072356893 /nfs/dbraw/zinc/35/68/93/1072356893.db2.gz AVYNEDDPUSBWQA-JYZYSUPLSA-N -1 0 603.498 5.682 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409102693 1072365629 /nfs/dbraw/zinc/36/56/29/1072365629.db2.gz VXBVGBRKQZJNKT-LDADJPATSA-N -1 0 524.791 6.316 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409329683 1072383471 /nfs/dbraw/zinc/38/34/71/1072383471.db2.gz HLUMABMMTQQQII-ZVHZXABRSA-N -1 0 517.607 5.591 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1 ZINC000409328402 1072394235 /nfs/dbraw/zinc/39/42/35/1072394235.db2.gz UKQBOCBUZORPBD-VCHYOVAHSA-N -1 0 509.914 6.723 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)c1 ZINC000409108757 1072404642 /nfs/dbraw/zinc/40/46/42/1072404642.db2.gz XXTRGQLAAUZBMV-YDZHTSKRSA-N -1 0 505.020 6.447 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OC(C)C ZINC000409107802 1072412848 /nfs/dbraw/zinc/41/28/48/1072412848.db2.gz QSFICCFVWVPEGT-MDWZMJQESA-N -1 0 589.213 5.450 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000409345940 1072418608 /nfs/dbraw/zinc/41/86/08/1072418608.db2.gz MUEJYTGDHNWAFF-CHHVJCJISA-N -1 0 577.703 5.730 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)c1 ZINC000409341429 1072457220 /nfs/dbraw/zinc/45/72/20/1072457220.db2.gz AQAVHNZAIAGKIX-NVMNQCDNSA-N -1 0 555.258 7.120 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409136979 1072475285 /nfs/dbraw/zinc/47/52/85/1072475285.db2.gz ZHZWMPXOEFNRSH-SRZZPIQSSA-N -1 0 648.337 6.794 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409136670 1072477098 /nfs/dbraw/zinc/47/70/98/1072477098.db2.gz YFHUNJCGLOJJFN-OEAKJJBVSA-N -1 0 510.575 5.046 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409338553 1072484051 /nfs/dbraw/zinc/48/40/51/1072484051.db2.gz LWQYAOBIFVOKJM-UDWIEESQSA-N -1 0 517.053 5.535 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(C)c1 ZINC000409133355 1072500639 /nfs/dbraw/zinc/50/06/39/1072500639.db2.gz SOZJEONUSCEDPJ-BRPDVVIDSA-N -1 0 598.684 7.168 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409131659 1072507942 /nfs/dbraw/zinc/50/79/42/1072507942.db2.gz WIVQOCDEDKHNPW-HZHRSRAPSA-N -1 0 569.441 6.032 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1OC ZINC000409131630 1072508013 /nfs/dbraw/zinc/50/80/13/1072508013.db2.gz JCDYMVDWKNVDPA-KGENOOAVSA-N -1 0 708.381 5.439 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409131324 1072509457 /nfs/dbraw/zinc/50/94/57/1072509457.db2.gz IGBSOPZMWKQHKH-OVVQPSECSA-N -1 0 585.056 6.532 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409128482 1072525635 /nfs/dbraw/zinc/52/56/35/1072525635.db2.gz OZFGCGMKWHVUBA-OGLMXYFKSA-N -1 0 553.659 6.260 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)SC2=S)c(Cl)c1 ZINC000409144560 1072534335 /nfs/dbraw/zinc/53/43/35/1072534335.db2.gz KRZWAHJQNGHOIN-JAIQZWGSSA-N -1 0 512.996 5.461 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409141838 1072550609 /nfs/dbraw/zinc/55/06/09/1072550609.db2.gz WXTBKNYKBYMSOV-OEAKJJBVSA-N -1 0 672.370 6.558 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409349096 1072552879 /nfs/dbraw/zinc/55/28/79/1072552879.db2.gz UMPFRVLNNYIPAE-NDENLUEZSA-N -1 0 561.504 5.644 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409140867 1072556783 /nfs/dbraw/zinc/55/67/83/1072556783.db2.gz SYEKBROSNNFEED-CIAFOILYSA-N -1 0 508.441 5.305 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S)c1cccs1 ZINC000409347591 1072562289 /nfs/dbraw/zinc/56/22/89/1072562289.db2.gz QHNJGOQTVDWXEI-VCHYOVAHSA-N -1 0 704.374 6.083 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OC ZINC000409139392 1072565250 /nfs/dbraw/zinc/56/52/50/1072565250.db2.gz NHEZXRBYJPJMSA-LPYMAVHISA-N -1 0 552.986 5.518 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1OC ZINC000409139000 1072567657 /nfs/dbraw/zinc/56/76/57/1072567657.db2.gz KYAFFXSIDQEPSE-FYJGNVAPSA-N -1 0 597.437 5.627 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409365590 1072578527 /nfs/dbraw/zinc/57/85/27/1072578527.db2.gz UIJZUVKHMDCQHN-MTJSOVHGSA-N -1 0 656.461 5.078 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1OC ZINC000409146651 1072579133 /nfs/dbraw/zinc/57/91/33/1072579133.db2.gz VHJZIBBJNMDPOX-RGVLZGJSSA-N -1 0 676.333 6.389 40 10 KKCBRM O=C(NN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145811 1072585025 /nfs/dbraw/zinc/58/50/25/1072585025.db2.gz PYCUPJYPZHRFMN-OMCISZLKSA-N -1 0 666.344 5.050 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409363812 1072587759 /nfs/dbraw/zinc/58/77/59/1072587759.db2.gz NVYABBFBUONADS-KEBDBYFISA-N -1 0 663.827 5.166 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409362577 1072594512 /nfs/dbraw/zinc/59/45/12/1072594512.db2.gz IDUZRUKIRFDSMC-XKZIYDEJSA-N -1 0 717.488 5.310 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000409359579 1072612360 /nfs/dbraw/zinc/61/23/60/1072612360.db2.gz WUJXBZIDKPRCCI-HAHDFKILSA-N -1 0 579.447 5.882 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409373551 1072624204 /nfs/dbraw/zinc/62/42/04/1072624204.db2.gz USWSCYSXCCBAPY-IMRQLAEWSA-N -1 0 547.998 6.720 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409377308 1072625366 /nfs/dbraw/zinc/62/53/66/1072625366.db2.gz FZDOLGRDLMIOBM-SXGWCWSVSA-N -1 0 651.272 5.978 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409376450 1072628993 /nfs/dbraw/zinc/62/89/93/1072628993.db2.gz YCXNVTUHRBVMQF-KEBDBYFISA-N -1 0 667.352 6.579 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409150271 1072630415 /nfs/dbraw/zinc/63/04/15/1072630415.db2.gz ASHHDKHZEAFJJR-DYLHXGEVSA-N -1 0 520.423 6.870 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409373905 1072640496 /nfs/dbraw/zinc/64/04/96/1072640496.db2.gz ISPHGYFFQQUWDZ-VXLYETTFSA-N -1 0 559.800 5.335 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409374050 1072640566 /nfs/dbraw/zinc/64/05/66/1072640566.db2.gz YFLUWRARSQEZLI-LZYBPNLTSA-N -1 0 580.218 5.599 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409373917 1072640594 /nfs/dbraw/zinc/64/05/94/1072640594.db2.gz ISYQDMALCAZHEH-YDZHTSKRSA-N -1 0 530.964 5.726 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000409373003 1072643503 /nfs/dbraw/zinc/64/35/03/1072643503.db2.gz PBZKULNXJPYCHI-LZYBPNLTSA-N -1 0 597.192 5.432 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409372588 1072645037 /nfs/dbraw/zinc/64/50/37/1072645037.db2.gz MFKZIRNDFRKLFY-GIJQJNRQSA-N -1 0 590.224 5.054 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409371713 1072648340 /nfs/dbraw/zinc/64/83/40/1072648340.db2.gz GMMGGCPBEXFZGW-FRKPEAEDSA-N -1 0 580.218 5.599 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409379109 1072671460 /nfs/dbraw/zinc/67/14/60/1072671460.db2.gz UHMLXKVYSHABQU-CIAFOILYSA-N -1 0 596.459 5.339 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000409378943 1072672059 /nfs/dbraw/zinc/67/20/59/1072672059.db2.gz SREKAURWPVOBMG-HYARGMPZSA-N -1 0 566.433 5.330 40 10 KKCBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000409378958 1072672127 /nfs/dbraw/zinc/67/21/27/1072672127.db2.gz SVFQZHSPTSYNIQ-BPKVKKHESA-N -1 0 537.863 5.428 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409378489 1072676327 /nfs/dbraw/zinc/67/63/27/1072676327.db2.gz QCGKANCECDRXET-WOJGMQOQSA-N -1 0 616.827 5.324 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409378180 1072677731 /nfs/dbraw/zinc/67/77/31/1072677731.db2.gz NISSJOCTHHHTFP-CIAFOILYSA-N -1 0 585.907 6.084 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409377985 1072678471 /nfs/dbraw/zinc/67/84/71/1072678471.db2.gz MGVLYYIXHDDOPU-SRZZPIQSSA-N -1 0 598.439 5.393 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409377683 1072678867 /nfs/dbraw/zinc/67/88/67/1072678867.db2.gz KJWMRWARJUBCJG-FYJGNVAPSA-N -1 0 507.011 5.321 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409377554 1072679561 /nfs/dbraw/zinc/67/95/61/1072679561.db2.gz IHVCHHNLXPIPDT-CJLVFECKSA-N -1 0 605.619 5.096 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409386555 1072685678 /nfs/dbraw/zinc/68/56/78/1072685678.db2.gz MTELVPXDLZUKKK-FYJGNVAPSA-N -1 0 555.483 6.365 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409386419 1072686575 /nfs/dbraw/zinc/68/65/75/1072686575.db2.gz NJZIVAUVEPDCFK-KGENOOAVSA-N -1 0 684.515 5.858 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409385659 1072690908 /nfs/dbraw/zinc/69/09/08/1072690908.db2.gz IWQTYCJYTDDQQX-CEUNXORHSA-N -1 0 621.646 5.357 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409385212 1072693485 /nfs/dbraw/zinc/69/34/85/1072693485.db2.gz GSIBMIPKQGXDMQ-YVLHZVERSA-N -1 0 663.308 5.847 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C(=O)[N-]C1=S ZINC000409166781 1072702867 /nfs/dbraw/zinc/70/28/67/1072702867.db2.gz GRLBXKXLAVPVJQ-KOEQRZSOSA-N -1 0 572.086 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409382669 1072706111 /nfs/dbraw/zinc/70/61/11/1072706111.db2.gz NDEGDEHQOXTXFR-LPYMAVHISA-N -1 0 644.385 6.583 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1OC ZINC000409382414 1072707927 /nfs/dbraw/zinc/70/79/27/1072707927.db2.gz LXFCCBDZCZVYTQ-ZHZULCJRSA-N -1 0 626.435 5.070 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(=O)[N-]C1=S ZINC000409382170 1072708023 /nfs/dbraw/zinc/70/80/23/1072708023.db2.gz YSEGZGQVWNPXBH-GZTJUZNOSA-N -1 0 602.869 5.399 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409382189 1072708085 /nfs/dbraw/zinc/70/80/85/1072708085.db2.gz PUJMQFFUHIIZBY-HYARGMPZSA-N -1 0 534.468 6.390 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C1=O ZINC000409381563 1072710265 /nfs/dbraw/zinc/71/02/65/1072710265.db2.gz GSJDOTQJZSVUCG-LICLKQGHSA-N -1 0 542.350 5.125 40 10 KKCBRM CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000409176274 1072712519 /nfs/dbraw/zinc/71/25/19/1072712519.db2.gz ZQRQVHYQJFEVOD-JAIQZWGSSA-N -1 0 528.995 5.695 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409381408 1072712720 /nfs/dbraw/zinc/71/27/20/1072712720.db2.gz FWPICLJDPDUJRB-XDHOZWIPSA-N -1 0 598.837 5.103 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409389328 1072732937 /nfs/dbraw/zinc/73/29/37/1072732937.db2.gz XYSKDYBJERODFU-UDWIEESQSA-N -1 0 541.456 5.975 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409388644 1072736631 /nfs/dbraw/zinc/73/66/31/1072736631.db2.gz VXNTYFPWTAYBKI-FYJGNVAPSA-N -1 0 539.028 5.851 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409400118 1072746707 /nfs/dbraw/zinc/74/67/07/1072746707.db2.gz OYLRUDXAQGSVJN-YBEGLDIGSA-N -1 0 582.665 6.458 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc2c(c1)OCO2 ZINC000409400188 1072746793 /nfs/dbraw/zinc/74/67/93/1072746793.db2.gz QBPNUVHQDMSVMP-WQRHYEAKSA-N -1 0 616.262 5.379 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409399797 1072748126 /nfs/dbraw/zinc/74/81/26/1072748126.db2.gz MNDWOYYNDHCDCC-UNOMPAQXSA-N -1 0 617.250 5.559 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Br)cc1 ZINC000409399650 1072749115 /nfs/dbraw/zinc/74/91/15/1072749115.db2.gz LHLWIDVJTKHAOQ-UNOMPAQXSA-N -1 0 606.698 6.304 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc2ccccc21 ZINC000409399465 1072749672 /nfs/dbraw/zinc/74/96/72/1072749672.db2.gz IUXXMVZRUWCHJS-HAHDFKILSA-N -1 0 622.313 6.804 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 ZINC000409399422 1072750103 /nfs/dbraw/zinc/75/01/03/1072750103.db2.gz ILVQYVMONZNDDD-YVLHZVERSA-N -1 0 563.191 5.705 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409399424 1072750208 /nfs/dbraw/zinc/75/02/08/1072750208.db2.gz IMEKUKGKBGIDQE-BOPFTXTBSA-N -1 0 641.143 6.958 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409398823 1072751059 /nfs/dbraw/zinc/75/10/59/1072751059.db2.gz DDEWTSQLEBKHTB-YVLHZVERSA-N -1 0 518.194 5.796 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409398777 1072751917 /nfs/dbraw/zinc/75/19/17/1072751917.db2.gz COKBOPCZRVPBEC-NVMNQCDNSA-N -1 0 552.639 6.450 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)c(I)c1 ZINC000409398375 1072752430 /nfs/dbraw/zinc/75/24/30/1072752430.db2.gz ABOFPKGFHZGCLX-ZDLGFXPLSA-N -1 0 654.096 5.857 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Br)cc1Br ZINC000409398384 1072752892 /nfs/dbraw/zinc/75/28/92/1072752892.db2.gz AFHWPTDRLCXORZ-MFOYZWKCSA-N -1 0 671.567 6.677 40 10 KKCBRM COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409407147 1072754890 /nfs/dbraw/zinc/75/48/90/1072754890.db2.gz LGBJKVNCMZZKJT-WQRHYEAKSA-N -1 0 548.220 5.805 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C(=O)[N-]C1=S ZINC000409167413 1072760001 /nfs/dbraw/zinc/76/00/01/1072760001.db2.gz JVROGTMLLPPJCO-YZSQISJMSA-N -1 0 572.086 6.166 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)c1 ZINC000409186330 1072763327 /nfs/dbraw/zinc/76/33/27/1072763327.db2.gz ALGPHBSTLCOPNP-CIAFOILYSA-N -1 0 570.237 5.765 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=S)[n-]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186160 1072764448 /nfs/dbraw/zinc/76/44/48/1072764448.db2.gz XVSNCVFAGVZDIT-PHJYDPKESA-N -1 0 717.873 5.604 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)cc(I)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185494 1072769759 /nfs/dbraw/zinc/76/97/59/1072769759.db2.gz LZVHMEGJSDAKBZ-VRKORRMZSA-N -1 0 724.020 7.043 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185621 1072770789 /nfs/dbraw/zinc/77/07/89/1072770789.db2.gz NMURZEGKKGPMMV-VNYHAFIISA-N -1 0 692.193 7.691 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184925 1072773547 /nfs/dbraw/zinc/77/35/47/1072773547.db2.gz IOBLPLHTXGZQFU-YNAROOORSA-N -1 0 657.748 7.038 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183641 1072782279 /nfs/dbraw/zinc/78/22/79/1072782279.db2.gz CSQGUXNJIPXBIF-UKMZQLRSSA-N -1 0 653.673 5.602 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)cc1 ZINC000409400930 1072783381 /nfs/dbraw/zinc/78/33/81/1072783381.db2.gz VREFDIRCBZGCAI-WQRHYEAKSA-N -1 0 592.671 5.914 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183209 1072784871 /nfs/dbraw/zinc/78/48/71/1072784871.db2.gz QMQCBRQJGZZZIW-OOIBJXBFSA-N -1 0 651.741 5.552 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182363 1072791446 /nfs/dbraw/zinc/79/14/46/1072791446.db2.gz KQPBPKSBGSSGCV-BTVRMGTGSA-N -1 0 697.813 7.357 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409409409 1072811359 /nfs/dbraw/zinc/81/13/59/1072811359.db2.gz VBTMHBCFCCTGFK-NDENLUEZSA-N -1 0 527.802 5.542 40 10 KKCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409408928 1072813259 /nfs/dbraw/zinc/81/32/59/1072813259.db2.gz SDHSUWLFWQSHOE-WOJGMQOQSA-N -1 0 503.769 5.696 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409187494 1072824320 /nfs/dbraw/zinc/82/43/20/1072824320.db2.gz RDJCESJZXCGCLQ-RGVLZGJSSA-N -1 0 651.174 6.384 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192475 1072826341 /nfs/dbraw/zinc/82/63/41/1072826341.db2.gz DDPHMYPTOQWZSR-YDZHTSKRSA-N -1 0 657.945 6.540 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195973 1072834391 /nfs/dbraw/zinc/83/43/91/1072834391.db2.gz XSTQGFUDMFZLJA-FYJGNVAPSA-N -1 0 633.506 5.611 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1OCC ZINC000409195785 1072835460 /nfs/dbraw/zinc/83/54/60/1072835460.db2.gz VZEOUNOBVUMLQW-OVVQPSECSA-N -1 0 633.528 7.575 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195465 1072836852 /nfs/dbraw/zinc/83/68/52/1072836852.db2.gz UYWCNAVQHCMELO-OEAKJJBVSA-N -1 0 594.020 5.677 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409195395 1072837720 /nfs/dbraw/zinc/83/77/20/1072837720.db2.gz PMIXVBHITMJMCM-UFFVCSGVSA-N -1 0 588.867 5.883 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409195154 1072838041 /nfs/dbraw/zinc/83/80/41/1072838041.db2.gz UDNOZDCQCGWSEP-OEAKJJBVSA-N -1 0 706.815 7.294 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409195210 1072838637 /nfs/dbraw/zinc/83/86/37/1072838637.db2.gz SGJDWNRLOCTKND-XQNSMLJCSA-N -1 0 583.468 6.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000409194008 1072846406 /nfs/dbraw/zinc/84/64/06/1072846406.db2.gz KGHRFKHBBXHFNH-PCLIKHOPSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409194081 1072846908 /nfs/dbraw/zinc/84/69/08/1072846908.db2.gz NKXQQXCHVHYVGM-LPYMAVHISA-N -1 0 647.533 5.919 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1OCC ZINC000409191938 1072858291 /nfs/dbraw/zinc/85/82/91/1072858291.db2.gz QSVFFZQQBOVYBZ-HYARGMPZSA-N -1 0 611.464 6.017 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409192012 1072858779 /nfs/dbraw/zinc/85/87/79/1072858779.db2.gz SHVJJIOFDDJJAN-LFVJCYFKSA-N -1 0 638.471 5.786 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191481 1072861271 /nfs/dbraw/zinc/86/12/71/1072861271.db2.gz IKECRJPFVQDSPJ-YDZHTSKRSA-N -1 0 715.497 5.637 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191000 1072866313 /nfs/dbraw/zinc/86/63/13/1072866313.db2.gz YAIVAGATLZVLAS-YDZHTSKRSA-N -1 0 668.497 5.794 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409190281 1072871619 /nfs/dbraw/zinc/87/16/19/1072871619.db2.gz RILPDGHXYMZHCV-LPYMAVHISA-N -1 0 657.945 6.540 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1OCC ZINC000409189884 1072872863 /nfs/dbraw/zinc/87/28/63/1072872863.db2.gz JXQVUHYQJODIDO-WSDLNYQXSA-N -1 0 690.360 6.779 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409189915 1072873425 /nfs/dbraw/zinc/87/34/25/1072873425.db2.gz NMZCZATXEKYNCV-SSDVNMTOSA-N -1 0 647.939 7.084 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409189912 1072873473 /nfs/dbraw/zinc/87/34/73/1072873473.db2.gz NLXOGEBNERJDEN-WSDLNYQXSA-N -1 0 652.358 7.729 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409189786 1072874054 /nfs/dbraw/zinc/87/40/54/1072874054.db2.gz ITMSYMXZYJAGJC-JJIBRWJFSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1OCC ZINC000409189068 1072879062 /nfs/dbraw/zinc/87/90/62/1072879062.db2.gz CLGQPKQQPBNFOF-PCLIKHOPSA-N -1 0 559.575 5.023 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409188607 1072881495 /nfs/dbraw/zinc/88/14/95/1072881495.db2.gz FLMTUOCQUOEPHC-JTOYMXJDSA-N -1 0 523.614 5.652 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1OCC ZINC000409188157 1072883568 /nfs/dbraw/zinc/88/35/68/1072883568.db2.gz BMDZXEKNWSAJHP-HZHRSRAPSA-N -1 0 672.370 6.640 40 10 KKCBRM CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4cccs4)C3=O)o2)ccc1Cl ZINC000409199011 1072927404 /nfs/dbraw/zinc/92/74/04/1072927404.db2.gz GRVMJLHPDKGSSX-WOJGMQOQSA-N -1 0 519.025 5.384 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409226969 1072971509 /nfs/dbraw/zinc/97/15/09/1072971509.db2.gz YBQINWQQKUSGGJ-JVWAILMASA-N -1 0 670.516 6.029 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409226758 1072972983 /nfs/dbraw/zinc/97/29/83/1072972983.db2.gz WMSJIJJRYCFIMQ-RGVLZGJSSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409225827 1072977079 /nfs/dbraw/zinc/97/70/79/1072977079.db2.gz LTHYLBUIAHDRLT-LICLKQGHSA-N -1 0 502.785 6.029 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409225451 1072978733 /nfs/dbraw/zinc/97/87/33/1072978733.db2.gz QVVKFMAOMYMJFW-YBFXNURJSA-N -1 0 633.680 5.549 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409224243 1072984525 /nfs/dbraw/zinc/98/45/25/1072984525.db2.gz KKVKASGAGFGXMG-VXLYETTFSA-N -1 0 603.256 5.748 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409224002 1072985338 /nfs/dbraw/zinc/98/53/38/1072985338.db2.gz JVIHAHJVBMYJOQ-KEBDBYFISA-N -1 0 659.864 5.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409223600 1072986766 /nfs/dbraw/zinc/98/67/66/1072986766.db2.gz HBEDSROJBMNYLC-YDZHTSKRSA-N -1 0 606.473 5.457 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1Br ZINC000409222668 1072992160 /nfs/dbraw/zinc/99/21/60/1072992160.db2.gz CUUYVYANBJXKKA-KGENOOAVSA-N -1 0 522.468 5.811 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222450 1072992704 /nfs/dbraw/zinc/99/27/04/1072992704.db2.gz CUGWICVGIHEMAJ-YBFXNURJSA-N -1 0 588.831 5.729 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409222301 1072994014 /nfs/dbraw/zinc/99/40/14/1072994014.db2.gz CGGOGZMBBQBBRR-BUVRLJJBSA-N -1 0 636.101 5.919 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409221008 1073001398 /nfs/dbraw/zinc/00/13/98/1073001398.db2.gz JEWJGRVABPPGIQ-UCQKPKSFSA-N -1 0 569.468 5.653 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000409220842 1073001954 /nfs/dbraw/zinc/00/19/54/1073001954.db2.gz GQCHNRDAVGRFEQ-BRPDVVIDSA-N -1 0 598.684 7.168 40 10 KKCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000409220621 1073003870 /nfs/dbraw/zinc/00/38/70/1073003870.db2.gz CIWODILFVVBQIU-KGENOOAVSA-N -1 0 509.450 5.740 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409220399 1073004259 /nfs/dbraw/zinc/00/42/59/1073004259.db2.gz YSMWUMBDNDLUIE-RGVLZGJSSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409219681 1073007339 /nfs/dbraw/zinc/00/73/39/1073007339.db2.gz OZJNQYJJANRBKA-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219435 1073008095 /nfs/dbraw/zinc/00/80/95/1073008095.db2.gz MMMYDBZPQWQIQC-VCHYOVAHSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409219439 1073008229 /nfs/dbraw/zinc/00/82/29/1073008229.db2.gz QOFLRONHASITGY-DEDYPNTBSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409230042 1073016054 /nfs/dbraw/zinc/01/60/54/1073016054.db2.gz WOWIFUBAGLYBOF-ZVHZXABRSA-N -1 0 610.950 7.465 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O ZINC000409229512 1073020147 /nfs/dbraw/zinc/02/01/47/1073020147.db2.gz QEKODMZYOSBGDU-DIBXZPPDSA-N -1 0 603.034 7.348 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409228577 1073025764 /nfs/dbraw/zinc/02/57/64/1073025764.db2.gz ZKOYLGUYYIXJNH-CIAFOILYSA-N -1 0 523.511 5.679 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409228016 1073028908 /nfs/dbraw/zinc/02/89/08/1073028908.db2.gz ZGZYCLKESYZSHH-CIAFOILYSA-N -1 0 628.465 5.483 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409227692 1073030281 /nfs/dbraw/zinc/03/02/81/1073030281.db2.gz ZUVMDSJVYRQYKD-LPYMAVHISA-N -1 0 699.498 5.090 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1 ZINC000409227442 1073031506 /nfs/dbraw/zinc/03/15/06/1073031506.db2.gz YMXTUPWDKDSAPN-CEUNXORHSA-N -1 0 561.594 5.258 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000409227399 1073031666 /nfs/dbraw/zinc/03/16/66/1073031666.db2.gz ZWICSXZMTROMFO-VXLYETTFSA-N -1 0 647.707 5.857 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409236917 1073034687 /nfs/dbraw/zinc/03/46/87/1073034687.db2.gz GVSQTNSDZDAITI-MFKUBSTISA-N -1 0 526.980 5.388 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000409236177 1073040009 /nfs/dbraw/zinc/04/00/09/1073040009.db2.gz RSLAKUQPPIGPIY-OVVQPSECSA-N -1 0 553.590 5.877 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OC(C)C ZINC000409235876 1073041326 /nfs/dbraw/zinc/04/13/26/1073041326.db2.gz CYYNEWMSRWVEIB-LZYBPNLTSA-N -1 0 604.388 5.327 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409235367 1073045206 /nfs/dbraw/zinc/04/52/06/1073045206.db2.gz PCNXFXUNPGEHAT-LPYMAVHISA-N -1 0 513.541 5.343 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O ZINC000409234556 1073048653 /nfs/dbraw/zinc/04/86/53/1073048653.db2.gz LOKVPNDNLAOSOU-LDADJPATSA-N -1 0 526.362 5.061 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409231862 1073063840 /nfs/dbraw/zinc/06/38/40/1073063840.db2.gz NACLHYHCRZRSJD-WPWMEQJKSA-N -1 0 539.632 5.952 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409231501 1073064788 /nfs/dbraw/zinc/06/47/88/1073064788.db2.gz KUPOVNFCRYZKBM-KEBDBYFISA-N -1 0 528.512 5.161 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409231121 1073067308 /nfs/dbraw/zinc/06/73/08/1073067308.db2.gz HQBOWYBHRGNOKC-YBFXNURJSA-N -1 0 540.859 6.481 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409247081 1073072953 /nfs/dbraw/zinc/07/29/53/1073072953.db2.gz GEXNOHZLPWHNCG-WGOQTCKBSA-N -1 0 618.915 7.064 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409246683 1073074827 /nfs/dbraw/zinc/07/48/27/1073074827.db2.gz AHMPGLNUBMSYOE-WPWMEQJKSA-N -1 0 570.114 6.775 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4cc(C)ccc4C)C3=O)c2-c2ccccc2)cc1 ZINC000409246133 1073078882 /nfs/dbraw/zinc/07/88/82/1073078882.db2.gz FLISFQHFIOCYAY-VAMRJTSQSA-N -1 0 625.750 7.436 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)c1 ZINC000409245344 1073083724 /nfs/dbraw/zinc/08/37/24/1073083724.db2.gz RFXGVXSNJQMDKJ-BUVRLJJBSA-N -1 0 522.630 5.037 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c(C)c1 ZINC000409245099 1073085310 /nfs/dbraw/zinc/08/53/10/1073085310.db2.gz NKGGVAYCFKSCJP-BUVRLJJBSA-N -1 0 515.635 5.144 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409242979 1073095032 /nfs/dbraw/zinc/09/50/32/1073095032.db2.gz XFKUVMOWNUTTTK-RRAHZORUSA-N -1 0 584.657 6.859 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409241582 1073100696 /nfs/dbraw/zinc/10/06/96/1073100696.db2.gz OSMDWDWPAUHHAU-JFLMPSFJSA-N -1 0 590.532 7.120 40 10 KKCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)cc2)cc1 ZINC000409240570 1073107261 /nfs/dbraw/zinc/10/72/61/1073107261.db2.gz QNFOLJWBQOCFLI-KGENOOAVSA-N -1 0 523.477 6.048 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)c1 ZINC000409239218 1073115013 /nfs/dbraw/zinc/11/50/13/1073115013.db2.gz CLZANMAFPMPGBS-LFIBNONCSA-N -1 0 515.816 5.811 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2-c2ccccc2)cc1 ZINC000409239084 1073115484 /nfs/dbraw/zinc/11/54/84/1073115484.db2.gz GGWWYZYNHAQIGX-COEJQBHMSA-N -1 0 665.693 7.838 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409239205 1073116391 /nfs/dbraw/zinc/11/63/91/1073116391.db2.gz GYABVWOBXWZXBT-OEAKJJBVSA-N -1 0 615.986 6.331 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000409238857 1073117929 /nfs/dbraw/zinc/11/79/29/1073117929.db2.gz OAGSLMXAKTVGCA-BRPDVVIDSA-N -1 0 632.583 8.022 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409238903 1073118428 /nfs/dbraw/zinc/11/84/28/1073118428.db2.gz MBXACFIVXXJVLC-JVWAILMASA-N -1 0 575.612 6.523 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409238329 1073121950 /nfs/dbraw/zinc/12/19/50/1073121950.db2.gz WYCYSKHXAHEYSW-OEAKJJBVSA-N -1 0 519.548 6.097 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409250800 1073132932 /nfs/dbraw/zinc/13/29/32/1073132932.db2.gz MXVJXZUWPYHISU-YBFXNURJSA-N -1 0 690.288 5.055 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409249910 1073138606 /nfs/dbraw/zinc/13/86/06/1073138606.db2.gz JRMXXKLPWJEWIE-BKUYFWCQSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409250155 1073138629 /nfs/dbraw/zinc/13/86/29/1073138629.db2.gz LKHDTNMTPJHMRV-RGVLZGJSSA-N -1 0 612.864 5.494 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1)Nc1ccccc1Cl ZINC000409249918 1073138638 /nfs/dbraw/zinc/13/86/38/1073138638.db2.gz JTQALIPLEBUBSM-ITYLOYPMSA-N -1 0 582.012 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409248907 1073145229 /nfs/dbraw/zinc/14/52/29/1073145229.db2.gz FXUPXLUBEXROOY-CIAFOILYSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1C ZINC000409248869 1073145240 /nfs/dbraw/zinc/14/52/40/1073145240.db2.gz HLECADYMFWBDJR-ZDLGFXPLSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409248652 1073147496 /nfs/dbraw/zinc/14/74/96/1073147496.db2.gz FEKIVTHFLMLIEL-VCHYOVAHSA-N -1 0 602.858 6.038 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)cc1C ZINC000409247921 1073151713 /nfs/dbraw/zinc/15/17/13/1073151713.db2.gz DYRIECCBAPZEDJ-MTJSOVHGSA-N -1 0 627.289 5.512 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409247907 1073151728 /nfs/dbraw/zinc/15/17/28/1073151728.db2.gz DVBXXGNAHWXMDI-KEBDBYFISA-N -1 0 675.761 6.474 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409256650 1073155756 /nfs/dbraw/zinc/15/57/56/1073155756.db2.gz PVWFQUJYNYJVIS-BKUYFWCQSA-N -1 0 594.487 5.005 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c(C)c1 ZINC000409257125 1073158280 /nfs/dbraw/zinc/15/82/80/1073158280.db2.gz QUSBCLNGHPICBD-DJKKODMXSA-N -1 0 675.761 6.474 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1 ZINC000409256967 1073159063 /nfs/dbraw/zinc/15/90/63/1073159063.db2.gz OMNIWSFDHDEBTK-RGVLZGJSSA-N -1 0 657.315 5.521 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409256764 1073159388 /nfs/dbraw/zinc/15/93/88/1073159388.db2.gz PUAXFBQBSXEZKF-UDWIEESQSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1Cl ZINC000409256742 1073159424 /nfs/dbraw/zinc/15/94/24/1073159424.db2.gz PLDLUHFOUNGXQI-VXLYETTFSA-N -1 0 542.350 5.125 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409256016 1073163205 /nfs/dbraw/zinc/16/32/05/1073163205.db2.gz NISKACNCQQCWCQ-YDZHTSKRSA-N -1 0 640.520 6.482 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1C ZINC000409255596 1073166322 /nfs/dbraw/zinc/16/63/22/1073166322.db2.gz IDKPXXSSKOJBKI-KEBDBYFISA-N -1 0 617.283 6.057 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409255084 1073169143 /nfs/dbraw/zinc/16/91/43/1073169143.db2.gz HAYFISXKLOQRBT-MFKUBSTISA-N -1 0 741.579 6.178 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000409255077 1073169206 /nfs/dbraw/zinc/16/92/06/1073169206.db2.gz GZYRIGOJMVHERE-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000409254771 1073170494 /nfs/dbraw/zinc/17/04/94/1073170494.db2.gz FMLGEVOMJZVQKM-RGVLZGJSSA-N -1 0 643.288 5.213 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409254823 1073171030 /nfs/dbraw/zinc/17/10/30/1073171030.db2.gz FVETVXNPNWCAOU-KEBDBYFISA-N -1 0 659.864 5.254 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409254487 1073172749 /nfs/dbraw/zinc/17/27/49/1073172749.db2.gz ZJNJJUKLMROXQX-VEILYXNESA-N -1 0 605.647 5.575 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c(C)c1 ZINC000409254290 1073173377 /nfs/dbraw/zinc/17/33/77/1073173377.db2.gz WVXRALGLBSLCDX-YSMPRRRNSA-N -1 0 733.413 7.091 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409253747 1073179226 /nfs/dbraw/zinc/17/92/26/1073179226.db2.gz GNOCNRZZTPAOFQ-YVLHZVERSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1Cl ZINC000409253617 1073180136 /nfs/dbraw/zinc/18/01/36/1073180136.db2.gz USRBZDSUNHOOQP-CNHKJKLMSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1Cl ZINC000409252844 1073184726 /nfs/dbraw/zinc/18/47/26/1073184726.db2.gz FFWQDNRNHDGRSI-WOJGMQOQSA-N -1 0 603.256 5.748 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1 ZINC000409251648 1073191844 /nfs/dbraw/zinc/19/18/44/1073191844.db2.gz AUDXYMLNCLMYDV-RGVLZGJSSA-N -1 0 568.413 5.303 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1OC ZINC000409251543 1073193067 /nfs/dbraw/zinc/19/30/67/1073193067.db2.gz ADUPYXCWGGXLSI-BKUYFWCQSA-N -1 0 699.498 5.090 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409251573 1073193176 /nfs/dbraw/zinc/19/31/76/1073193176.db2.gz PRVNBVNHNLISON-DJKKODMXSA-N -1 0 677.733 5.866 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409262446 1073193514 /nfs/dbraw/zinc/19/35/14/1073193514.db2.gz DRWGTQHCSYKZIV-BKUYFWCQSA-N -1 0 655.514 5.156 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000409267165 1073196672 /nfs/dbraw/zinc/19/66/72/1073196672.db2.gz SZVXFUUMNYJRSK-LPYMAVHISA-N -1 0 627.289 5.512 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c1 ZINC000409267075 1073198071 /nfs/dbraw/zinc/19/80/71/1073198071.db2.gz SDYZEBSDGWDWTB-NHDPSOOVSA-N -1 0 655.343 6.129 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000002379265 1073200044 /nfs/dbraw/zinc/20/00/44/1073200044.db2.gz XZHWBSPIDOGRIP-KQWNVCNZSA-N -1 0 516.395 5.068 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3C)C2=O)cc1Cl ZINC000409266308 1073202767 /nfs/dbraw/zinc/20/27/67/1073202767.db2.gz QLSJSVGTNPLIHT-VXLYETTFSA-N -1 0 661.734 6.166 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265768 1073206045 /nfs/dbraw/zinc/20/60/45/1073206045.db2.gz OVWXITPMBSHCCH-DJKKODMXSA-N -1 0 633.282 5.757 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1Cl ZINC000409265156 1073208797 /nfs/dbraw/zinc/20/87/97/1073208797.db2.gz SLYZIWKACYUYPQ-IUXPMGMMSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409265177 1073208818 /nfs/dbraw/zinc/20/88/18/1073208818.db2.gz RENLWPYLMZZYGD-ODLFYWEKSA-N -1 0 629.330 5.369 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1Cl ZINC000409265139 1073208917 /nfs/dbraw/zinc/20/89/17/1073208917.db2.gz SJWKMJVCVLGAKW-GIJQJNRQSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409264431 1073212865 /nfs/dbraw/zinc/21/28/65/1073212865.db2.gz FRSBXWVNOUCHEW-KEBDBYFISA-N -1 0 647.707 5.857 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)c1 ZINC000409264221 1073213250 /nfs/dbraw/zinc/21/32/50/1073213250.db2.gz PVHDDFISNWRRLD-VXLYETTFSA-N -1 0 645.279 5.651 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1Cl ZINC000409263991 1073215022 /nfs/dbraw/zinc/21/50/22/1073215022.db2.gz JVUIAOOPPJVSHM-GIJQJNRQSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409263932 1073215171 /nfs/dbraw/zinc/21/51/71/1073215171.db2.gz IREVUCNNCYPGMJ-IUXPMGMMSA-N -1 0 607.277 6.601 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409263556 1073217851 /nfs/dbraw/zinc/21/78/51/1073217851.db2.gz HQQQTIBUXBYVPY-AWQFTUOYSA-N -1 0 661.336 6.455 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1C ZINC000409263314 1073218063 /nfs/dbraw/zinc/21/80/63/1073218063.db2.gz KJCGYPQFYWMYCR-GRSHGNNSSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409263405 1073218539 /nfs/dbraw/zinc/21/85/39/1073218539.db2.gz JBKYUIIQZMFQJP-JAIQZWGSSA-N -1 0 647.707 5.857 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1OC ZINC000409263180 1073218828 /nfs/dbraw/zinc/21/88/28/1073218828.db2.gz AVWOHGWCVWYANH-STZFKDTASA-N -1 0 578.021 5.130 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409262723 1073220082 /nfs/dbraw/zinc/22/00/82/1073220082.db2.gz IWZMTKGVWSBATN-DIBXZPPDSA-N -1 0 561.594 5.258 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1 ZINC000409262307 1073221867 /nfs/dbraw/zinc/22/18/67/1073221867.db2.gz GQFJAWKQMNZCOX-JAIQZWGSSA-N -1 0 596.423 5.081 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409261877 1073224499 /nfs/dbraw/zinc/22/44/99/1073224499.db2.gz DWFHDYSZYZQUNC-YBEGLDIGSA-N -1 0 560.846 5.496 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261932 1073224930 /nfs/dbraw/zinc/22/49/30/1073224930.db2.gz FMEVUPSBFAPZIU-UKWGHVSLSA-N -1 0 613.410 5.293 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409261407 1073226553 /nfs/dbraw/zinc/22/65/53/1073226553.db2.gz BSOGVISBBCONCD-AUWJEWJLSA-N -1 0 613.668 6.638 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261477 1073227260 /nfs/dbraw/zinc/22/72/60/1073227260.db2.gz CIYPFKGDJFODCQ-WGARJPEWSA-N -1 0 751.961 6.525 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1Cl ZINC000409261035 1073229954 /nfs/dbraw/zinc/22/99/54/1073229954.db2.gz AGPYZYFQEOIJSK-LSCVHKIXSA-N -1 0 692.704 5.766 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1Cl ZINC000409261015 1073230007 /nfs/dbraw/zinc/23/00/07/1073230007.db2.gz ZWLDORSAOSNUPI-SRZZPIQSSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1C ZINC000409260729 1073231802 /nfs/dbraw/zinc/23/18/02/1073231802.db2.gz VKZWCODYCABDEV-KEBDBYFISA-N -1 0 706.185 6.275 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409260735 1073231989 /nfs/dbraw/zinc/23/19/89/1073231989.db2.gz VNPVBUKYZFKJCM-PXNMLYILSA-N -1 0 589.775 5.239 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1OC ZINC000409260748 1073232005 /nfs/dbraw/zinc/23/20/05/1073232005.db2.gz VRPPJLKPCLELDQ-UCQKPKSFSA-N -1 0 622.074 5.528 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409260798 1073232416 /nfs/dbraw/zinc/23/24/16/1073232416.db2.gz WOTDVIWYEKMIJX-BUVRLJJBSA-N -1 0 741.579 6.178 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1C ZINC000409259540 1073238678 /nfs/dbraw/zinc/23/86/78/1073238678.db2.gz AJGBFNYYHLBONC-NHDPSOOVSA-N -1 0 655.343 6.129 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000409259587 1073238923 /nfs/dbraw/zinc/23/89/23/1073238923.db2.gz BARHIUVHDUDEOM-UDWIEESQSA-N -1 0 643.288 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1OCC ZINC000409259277 1073240577 /nfs/dbraw/zinc/24/05/77/1073240577.db2.gz YLJCQQOUUOJYER-OEAKJJBVSA-N -1 0 636.101 5.837 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1Cl ZINC000409258979 1073242329 /nfs/dbraw/zinc/24/23/29/1073242329.db2.gz WJIYBVFMCYAEDC-SOFYXZRVSA-N -1 0 627.695 6.946 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000409258959 1073242383 /nfs/dbraw/zinc/24/23/83/1073242383.db2.gz WRBQVVYFKAAIRD-ZVHZXABRSA-N -1 0 683.499 5.389 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409258861 1073243425 /nfs/dbraw/zinc/24/34/25/1073243425.db2.gz WFUOOOFUQXRRDK-DJKKODMXSA-N -1 0 668.125 6.202 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1OC ZINC000409257898 1073248388 /nfs/dbraw/zinc/24/83/88/1073248388.db2.gz UGXLMCGMHMYIGQ-MTJSOVHGSA-N -1 0 612.466 5.783 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409257945 1073248453 /nfs/dbraw/zinc/24/84/53/1073248453.db2.gz VBCXONHYENCYBG-WJDWOHSUSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000409257798 1073249621 /nfs/dbraw/zinc/24/96/21/1073249621.db2.gz VETRDIVFVDHOTE-WSDLNYQXSA-N -1 0 703.917 5.734 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1Cl ZINC000409257349 1073252168 /nfs/dbraw/zinc/25/21/68/1073252168.db2.gz OERZJGHLEFBTHI-YVLHZVERSA-N -1 0 649.679 5.255 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409272504 1073253873 /nfs/dbraw/zinc/25/38/73/1073253873.db2.gz ZHANJFBZUBMPQK-KOEQRZSOSA-N -1 0 571.630 5.175 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409272085 1073257789 /nfs/dbraw/zinc/25/77/89/1073257789.db2.gz OKNAZYGKMOLHCV-MTJSOVHGSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409272143 1073258107 /nfs/dbraw/zinc/25/81/07/1073258107.db2.gz OXAVMUXHGSZBCP-WQRHYEAKSA-N -1 0 588.831 5.729 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1C ZINC000409271798 1073260077 /nfs/dbraw/zinc/26/00/77/1073260077.db2.gz NGAYSSDOGPDTSE-AWQFTUOYSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409271581 1073262660 /nfs/dbraw/zinc/26/26/60/1073262660.db2.gz VEXMOVFWTLSTNE-RGVLZGJSSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1C ZINC000409271102 1073265812 /nfs/dbraw/zinc/26/58/12/1073265812.db2.gz JSKAUFFTLBPLIP-JMIUGGIZSA-N -1 0 572.832 5.948 40 10 KKCBRM CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)cc1 ZINC000409270769 1073267603 /nfs/dbraw/zinc/26/76/03/1073267603.db2.gz ALUCYHNTUQENIC-OEAKJJBVSA-N -1 0 503.580 5.030 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1 ZINC000409270334 1073271049 /nfs/dbraw/zinc/27/10/49/1073271049.db2.gz PKECEOUFJUPSFB-LPYMAVHISA-N -1 0 622.472 5.157 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1 ZINC000409270261 1073272127 /nfs/dbraw/zinc/27/21/27/1073272127.db2.gz OJPBJBHVLZTSFO-MFOYZWKCSA-N -1 0 668.125 6.202 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1OCC ZINC000409269885 1073273244 /nfs/dbraw/zinc/27/32/44/1073273244.db2.gz AQVGMUYHMXKZBS-FYJGNVAPSA-N -1 0 715.395 6.391 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c1 ZINC000409269672 1073276113 /nfs/dbraw/zinc/27/61/13/1073276113.db2.gz LKIIBQIZLCDSKM-UNOMPAQXSA-N -1 0 596.865 5.712 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC ZINC000409269425 1073277854 /nfs/dbraw/zinc/27/78/54/1073277854.db2.gz JGWWLURXSZMDMR-XKZIYDEJSA-N -1 0 715.395 6.310 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 ZINC000409269420 1073277960 /nfs/dbraw/zinc/27/79/60/1073277960.db2.gz JDMUSRAMWMCQOV-KEBDBYFISA-N -1 0 675.761 6.474 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OC ZINC000409269085 1073280474 /nfs/dbraw/zinc/28/04/74/1073280474.db2.gz DVJVITOAJIHOOA-XKZIYDEJSA-N -1 0 713.525 5.398 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409268989 1073281698 /nfs/dbraw/zinc/28/16/98/1073281698.db2.gz CMENPPBYOLAQGK-YVLHZVERSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409268493 1073283965 /nfs/dbraw/zinc/28/39/65/1073283965.db2.gz UNJKSZBVTYPUGN-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409268320 1073284667 /nfs/dbraw/zinc/28/46/67/1073284667.db2.gz SECMWZUARFVVMA-BKUYFWCQSA-N -1 0 547.995 5.039 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409268159 1073285502 /nfs/dbraw/zinc/28/55/02/1073285502.db2.gz QTLYKZUSZQCPSX-ZHZULCJRSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1Cl ZINC000409268233 1073285912 /nfs/dbraw/zinc/28/59/12/1073285912.db2.gz ZXNFCOKGPUQYFM-LSCVHKIXSA-N -1 0 593.250 6.293 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409267839 1073287006 /nfs/dbraw/zinc/28/70/06/1073287006.db2.gz PFNXWRZOKCOLCV-YBFXNURJSA-N -1 0 598.837 5.103 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409267916 1073287534 /nfs/dbraw/zinc/28/75/34/1073287534.db2.gz WTWOJGPBGJZHRX-QRVIBDJDSA-N -1 0 620.500 5.765 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000409267565 1073288836 /nfs/dbraw/zinc/28/88/36/1073288836.db2.gz NXRZWSIGJBGKSO-UCQKPKSFSA-N -1 0 531.996 5.258 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1 ZINC000409267348 1073290350 /nfs/dbraw/zinc/29/03/50/1073290350.db2.gz UZQFYVAMLOWZJK-HYARGMPZSA-N -1 0 669.472 5.081 40 10 KKCBRM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)ccc1Cl ZINC000409275767 1073297513 /nfs/dbraw/zinc/29/75/13/1073297513.db2.gz WQPJWVDOHRNOQJ-ZMOGYAJESA-N -1 0 596.061 5.688 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1C ZINC000409273430 1073320067 /nfs/dbraw/zinc/32/00/67/1073320067.db2.gz XZESAJZLXNLPDK-GRSHGNNSSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000409273145 1073335271 /nfs/dbraw/zinc/33/52/71/1073335271.db2.gz VVDSVDDYRBRYFC-OCKHKDLRSA-N -1 0 663.706 5.563 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1 ZINC000409273158 1073335281 /nfs/dbraw/zinc/33/52/81/1073335281.db2.gz VZPLLXWAPHOVNJ-JAIQZWGSSA-N -1 0 596.423 5.081 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCC(=O)[O-])c(I)c1 ZINC000409049717 195496998 /nfs/dbraw/zinc/49/69/98/195496998.db2.gz ZSQGPIFAKJQCCZ-KRXBUXKQSA-N -1 0 631.089 5.019 40 10 KKCBRM COc1ccccc1/C=C1\N=C(c2ccccc2)N(c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2)C1=O ZINC000059677186 291982832 /nfs/dbraw/zinc/98/28/32/291982832.db2.gz NOFHRQATWZGSKP-LVBXYETJSA-N -1 0 584.632 5.437 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000001848856 551715101 /nfs/dbraw/zinc/71/51/01/551715101.db2.gz IDZMSZDKWJMRKE-MFKUBSTISA-N -1 0 557.002 6.986 40 10 KKCBRM Cc1ccc(NN=C2C(=O)c3ccc4nc(-c5ccc(N)cc5)sc4c3C=C2S(=O)(=O)[O-])c(C)c1 ZINC000003848531 552420525 /nfs/dbraw/zinc/42/05/25/552420525.db2.gz OXEYZYKZWHWWEI-ZQHSETAFSA-N -1 0 504.593 6.683 40 10 KKCBRM COc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)ccc1/N=N/c1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1OC ZINC000004707607 552472334 /nfs/dbraw/zinc/47/23/34/552472334.db2.gz GEVQDGCICXEOEU-HSBKYFPUSA-N -1 0 590.618 6.624 40 10 KKCBRM COc1cc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821781 553156112 /nfs/dbraw/zinc/15/61/12/553156112.db2.gz WIZDLFCHFPVOKG-FMCGGJTJSA-N -1 0 508.983 6.017 40 10 KKCBRM O=C([O-])CCCCCCCCCCNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000008870171 553171398 /nfs/dbraw/zinc/17/13/98/553171398.db2.gz CKBMAIWMHZBULW-CEHHTOFISA-N -1 0 502.702 5.546 40 10 KKCBRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c1C ZINC000010112134 553328776 /nfs/dbraw/zinc/32/87/76/553328776.db2.gz SGTLEKYJWQAISR-UHFFFAOYSA-N -1 0 512.075 5.678 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000014133036 553501614 /nfs/dbraw/zinc/50/16/14/553501614.db2.gz IYHRUGAJWQIEPQ-UDWIEESQSA-N -1 0 508.933 5.432 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000014133113 553501651 /nfs/dbraw/zinc/50/16/51/553501651.db2.gz KWHJXJCQRHYEAO-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2Br)c1 ZINC000014132813 553501675 /nfs/dbraw/zinc/50/16/75/553501675.db2.gz UXWWXAKBDNYZPF-DEDYPNTBSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000014133142 553501836 /nfs/dbraw/zinc/50/18/36/553501836.db2.gz FBPZHTGKJJSUTL-LFVJCYFKSA-N -1 0 507.502 5.302 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)c(Sc2ccccc2)o1 ZINC000016491692 553566679 /nfs/dbraw/zinc/56/66/79/553566679.db2.gz QAVWEQFQSZJSRI-YBEGLDIGSA-N -1 0 503.374 5.164 40 10 KKCBRM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020287634 553633028 /nfs/dbraw/zinc/63/30/28/553633028.db2.gz RTSLKPGAAVKQSL-ONUIUJJFSA-N -1 0 505.958 5.793 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000089262538 553693379 /nfs/dbraw/zinc/69/33/79/553693379.db2.gz ILLSBEKJWKVQIL-YBFXNURJSA-N -1 0 511.361 6.396 40 10 KKCBRM O=C1C(=NNc2c(O)ccc3ccccc32)C=C(S(=O)(=O)[O-])CC1=NNc1c(O)ccc2ccccc21 ZINC000025694314 553812806 /nfs/dbraw/zinc/81/28/06/553812806.db2.gz KKEBIVWATSSYDF-NNVNZZHPSA-N -1 0 516.535 6.585 40 10 KKCBRM O=C1C(=NNc2c(O)c3ccc(Nc4ccccc4)cc3cc2S(=O)(=O)[O-])C=C(Cl)C=C1[N+](=O)[O-] ZINC000025694442 553813067 /nfs/dbraw/zinc/81/30/67/553813067.db2.gz CNBWKGYULVCNBV-OCEACIFDSA-N -1 0 514.903 6.218 40 10 KKCBRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCC1 ZINC000026115464 553816119 /nfs/dbraw/zinc/81/61/19/553816119.db2.gz CBPZPEOJCYNFLF-UHFFFAOYSA-N -1 0 515.056 5.330 40 10 KKCBRM CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)c2)c1 ZINC000026642196 553820096 /nfs/dbraw/zinc/82/00/96/553820096.db2.gz HSHMDDSZJNHTPB-ITYLOYPMSA-N -1 0 500.551 5.531 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCCOc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000097958540 553855498 /nfs/dbraw/zinc/85/54/98/553855498.db2.gz HYCOJDZIPBSSDL-HYARGMPZSA-N -1 0 536.968 5.630 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000097965026 553902468 /nfs/dbraw/zinc/90/24/68/553902468.db2.gz DQPSTXVJBGAMRB-PDGQHHTCSA-N -1 0 518.784 6.342 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000097965020 553902510 /nfs/dbraw/zinc/90/25/10/553902510.db2.gz QZQFARZGGPHJEA-HAHDFKILSA-N -1 0 594.418 5.381 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000100296533 554288858 /nfs/dbraw/zinc/28/88/58/554288858.db2.gz LVPLYBUBWZEVGS-HMAPJEAMSA-N -1 0 523.501 5.354 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000041108861 554295638 /nfs/dbraw/zinc/29/56/38/554295638.db2.gz WOWJPIGBVMHBAH-BOPFTXTBSA-N -1 0 503.761 6.353 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1 ZINC000100313745 554301995 /nfs/dbraw/zinc/30/19/95/554301995.db2.gz ZTTNNXOPGFTIRH-MOSHPQCFSA-N -1 0 521.367 5.012 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100320483 554304784 /nfs/dbraw/zinc/30/47/84/554304784.db2.gz CMTKPHRVLWCXSO-RQZCQDPDSA-N -1 0 597.334 5.041 40 10 KKCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847736 554367010 /nfs/dbraw/zinc/36/70/10/554367010.db2.gz FKNUBVREIGDFDZ-XLNZFTOWSA-N -1 0 515.418 6.319 40 10 KKCBRM O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000058847742 554367105 /nfs/dbraw/zinc/36/71/05/554367105.db2.gz OHSYZTQEUKIDPY-SRGWNRLKSA-N -1 0 515.418 6.319 40 10 KKCBRM O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000058847687 554367110 /nfs/dbraw/zinc/36/71/10/554367110.db2.gz MRFCTESTDAEBTN-DXMSMQRWSA-N -1 0 515.418 6.319 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000100392539 554367607 /nfs/dbraw/zinc/36/76/07/554367607.db2.gz KGFYIGGQZKAHKK-MHWRWJLKSA-N -1 0 522.207 5.847 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058849683 554369024 /nfs/dbraw/zinc/36/90/24/554369024.db2.gz RPYLDADHQKDNKF-WZOHSFFVSA-N -1 0 511.987 5.884 40 10 KKCBRM COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1OC ZINC000058849556 554369053 /nfs/dbraw/zinc/36/90/53/554369053.db2.gz ZCUODECYBQRCAS-LZCXECNNSA-N -1 0 506.580 5.029 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058849877 554369521 /nfs/dbraw/zinc/36/95/21/554369521.db2.gz RERNMLVBYUBOSJ-RHGYRFJNSA-N -1 0 515.418 6.319 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000059087184 554372101 /nfs/dbraw/zinc/37/21/01/554372101.db2.gz PPJNJYDPKIISKV-SRZZPIQSSA-N -1 0 504.340 5.547 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000059103770 554379029 /nfs/dbraw/zinc/37/90/29/554379029.db2.gz LVNBTWOYJSXIDZ-UHBFCERESA-N -1 0 611.536 8.003 40 10 KKCBRM COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)[N-]C(=O)N(C5CCCCC5)C4=O)c3C)cc2)cc1 ZINC000059109550 554380899 /nfs/dbraw/zinc/38/08/99/554380899.db2.gz LHXKYOYBYRJQIP-OVVQPSECSA-N -1 0 513.594 6.530 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000059135462 554381506 /nfs/dbraw/zinc/38/15/06/554381506.db2.gz XOPHHFGHBVJGMP-CIAFOILYSA-N -1 0 508.933 5.636 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000059135460 554381666 /nfs/dbraw/zinc/38/16/66/554381666.db2.gz YCVNPQBIUPLVED-RGVLZGJSSA-N -1 0 512.896 5.467 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000059135668 554381824 /nfs/dbraw/zinc/38/18/24/554381824.db2.gz CAPTWXHIYSCWIK-FYJGNVAPSA-N -1 0 509.331 5.982 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059136157 554382342 /nfs/dbraw/zinc/38/23/42/554382342.db2.gz KNOAYLIIEJKPSN-CPNJWEJPSA-N -1 0 510.974 6.128 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000059136418 554382546 /nfs/dbraw/zinc/38/25/46/554382546.db2.gz KUIHBASLQQNPTA-GZTJUZNOSA-N -1 0 501.366 6.383 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000059136421 554382660 /nfs/dbraw/zinc/38/26/60/554382660.db2.gz LJVKTXIIIYQYPN-QGOAFFKASA-N -1 0 511.372 5.839 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000059198229 554384593 /nfs/dbraw/zinc/38/45/93/554384593.db2.gz ZAORUHOYGHQYEE-HYARGMPZSA-N -1 0 508.372 5.762 40 10 KKCBRM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000059198334 554384803 /nfs/dbraw/zinc/38/48/03/554384803.db2.gz OAIUUYFGNUDOOD-CPNJWEJPSA-N -1 0 509.312 5.393 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059198528 554384976 /nfs/dbraw/zinc/38/49/76/554384976.db2.gz NVXQQZLTSSHFKA-LPYMAVHISA-N -1 0 508.441 6.145 40 10 KKCBRM COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc1C(=O)[O-] ZINC000059485057 554397828 /nfs/dbraw/zinc/39/78/28/554397828.db2.gz RTNIEZRDLFVBSV-JJIBRWJFSA-N -1 0 506.514 5.438 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000100476380 554400839 /nfs/dbraw/zinc/40/08/39/554400839.db2.gz QEXVOHVXSLUDJZ-MHWRWJLKSA-N -1 0 532.759 5.102 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100524949 554409692 /nfs/dbraw/zinc/40/96/92/554409692.db2.gz YBBJBGAIKLYFTH-NOGPVDPTSA-N -1 0 578.879 7.332 40 10 KKCBRM O=C(CCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Oc1ccccc1/N=N/C(=O)c1ccccc1[O-] ZINC000100848512 554491854 /nfs/dbraw/zinc/49/18/54/554491854.db2.gz NTMZSUJOPJYORA-WKKHYLQESA-N -1 0 541.585 6.295 40 10 KKCBRM COC(=O)c1cc(NC(=O)C2=CC(=NNc3ccc(S(=O)(=O)[O-])cc3)c3ccccc3C2=O)cc(C(=O)OC)c1 ZINC000100988504 554549206 /nfs/dbraw/zinc/54/92/06/554549206.db2.gz VKUWZIBNQHAYEN-QVIHXGFCSA-N -1 0 563.544 5.033 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000101011560 554558026 /nfs/dbraw/zinc/55/80/26/554558026.db2.gz VBHMSGZCERSZTN-FMCGGJTJSA-N -1 0 526.035 6.340 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000101467275 554780845 /nfs/dbraw/zinc/78/08/45/554780845.db2.gz NZOANQXXLSOUMU-RGVLZGJSSA-N -1 0 529.351 5.777 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000101486960 554785297 /nfs/dbraw/zinc/78/52/97/554785297.db2.gz IXZLSOYHBXXBEP-XYGWBWBKSA-N -1 0 527.374 5.848 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000102444342 554930325 /nfs/dbraw/zinc/93/03/25/554930325.db2.gz WOWJPIGBVMHBAH-GZTJUZNOSA-N -1 0 503.761 5.513 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000103780739 555476333 /nfs/dbraw/zinc/47/63/33/555476333.db2.gz PGTMLHIGAHJTLZ-LPYMAVHISA-N -1 0 532.021 5.192 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C2=O)cc1 ZINC000103792334 555481328 /nfs/dbraw/zinc/48/13/28/555481328.db2.gz RWHVYHITHJLQMR-TURZUDJPSA-N -1 0 622.747 6.660 40 10 KKCBRM Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103795023 555481788 /nfs/dbraw/zinc/48/17/88/555481788.db2.gz VJQVAFAXXHLHQB-UHFFFAOYSA-N -1 0 556.043 6.194 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103814507 555482313 /nfs/dbraw/zinc/48/23/13/555482313.db2.gz KNIBJJBFDPHFRY-UDWIEESQSA-N -1 0 535.394 5.320 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1O ZINC000103814599 555482389 /nfs/dbraw/zinc/48/23/89/555482389.db2.gz FUOSZTATKCCIRA-ZVBGSRNCSA-N -1 0 598.437 5.140 40 10 KKCBRM COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000020289232 571360599 /nfs/dbraw/zinc/36/05/99/571360599.db2.gz HXDXXWWHRHYRFN-JCMHNJIXSA-N -1 0 512.444 5.639 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000103842281 571362439 /nfs/dbraw/zinc/36/24/39/571362439.db2.gz PASXPPSBWFROTA-WYMPLXKRSA-N -1 0 593.518 6.381 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000103842650 571362520 /nfs/dbraw/zinc/36/25/20/571362520.db2.gz ABDULAUQDOISON-OKCVXOCRSA-N -1 0 619.718 6.155 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000103842478 571362554 /nfs/dbraw/zinc/36/25/54/571362554.db2.gz BZJLLILMAKRBAY-MUFRIFMGSA-N -1 0 550.630 6.539 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3c(C)n(-c4ccc(Br)cc4)c(C)c3Br)C(=O)[N-]C2=S)c1 ZINC000103843164 571362647 /nfs/dbraw/zinc/36/26/47/571362647.db2.gz JZWBCOUDVZGTFU-FYJGNVAPSA-N -1 0 603.336 5.849 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000103842935 571362682 /nfs/dbraw/zinc/36/26/82/571362682.db2.gz FUEOQHPAPYNLTF-WKULSOCRSA-N -1 0 562.670 5.327 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O[C@H](C)CC)c(OCC)c3)C2=O)c1 ZINC000103843581 571362762 /nfs/dbraw/zinc/36/27/62/571362762.db2.gz LTLJFBLIAVNDOA-PUMYGXPMSA-N -1 0 575.456 5.489 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000103844285 571362897 /nfs/dbraw/zinc/36/28/97/571362897.db2.gz IJRJNDWFVCTADT-MUFRIFMGSA-N -1 0 550.630 6.539 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(-c4ccc(Br)cc4)c(C)c3Br)C2=O)cc1 ZINC000103844865 571362927 /nfs/dbraw/zinc/36/29/27/571362927.db2.gz JWUZXAUTUCFACP-UDWIEESQSA-N -1 0 573.241 5.294 40 10 KKCBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1[N+](=O)[O-] ZINC000103844248 571362967 /nfs/dbraw/zinc/36/29/67/571362967.db2.gz NKOWAEQUBRXOOS-ZVBGSRNCSA-N -1 0 580.435 5.500 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000103845836 571363271 /nfs/dbraw/zinc/36/32/71/571363271.db2.gz RGVISMNUPJKRNO-OKCVXOCRSA-N -1 0 594.683 6.938 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)c1 ZINC000103846707 571363401 /nfs/dbraw/zinc/36/34/01/571363401.db2.gz HKSWZSLCAIEBMR-VTNSRFBWSA-N -1 0 612.730 6.723 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000103849299 571364065 /nfs/dbraw/zinc/36/40/65/571364065.db2.gz ABRXOFNHKSXMMS-WOJGMQOQSA-N -1 0 529.749 5.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000103849546 571364143 /nfs/dbraw/zinc/36/41/43/571364143.db2.gz TUOGXKHBUVCOEP-WSDLNYQXSA-N -1 0 579.809 6.640 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000103849845 571364366 /nfs/dbraw/zinc/36/43/66/571364366.db2.gz GSTRVOSKUMBRBV-VXLYETTFSA-N -1 0 604.226 5.605 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000103849785 571364368 /nfs/dbraw/zinc/36/43/68/571364368.db2.gz ZDBYBVIFFYHAFP-VXLYETTFSA-N -1 0 559.775 5.496 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000103850426 571364468 /nfs/dbraw/zinc/36/44/68/571364468.db2.gz ZOYYLRZLEZKVKL-RGVLZGJSSA-N -1 0 604.347 5.214 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 ZINC000103850220 571364522 /nfs/dbraw/zinc/36/45/22/571364522.db2.gz DEZCRQFONFODJI-NTEUORMPSA-N -1 0 534.681 5.076 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000103850133 571364525 /nfs/dbraw/zinc/36/45/25/571364525.db2.gz ZJYPCNQWOMFXEX-VULFUBBASA-N -1 0 578.427 6.785 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000103850489 571364578 /nfs/dbraw/zinc/36/45/78/571364578.db2.gz OYYKORPTCDRGCC-VCHYOVAHSA-N -1 0 608.247 6.539 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000103851170 571364800 /nfs/dbraw/zinc/36/48/00/571364800.db2.gz FXFINZOGXNDXHI-XHPQRKPJSA-N -1 0 578.068 7.435 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000103851175 571364832 /nfs/dbraw/zinc/36/48/32/571364832.db2.gz QOYLXBHKMRBNCU-XHPQRKPJSA-N -1 0 588.620 6.690 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000103851810 571365092 /nfs/dbraw/zinc/36/50/92/571365092.db2.gz UUXOHMKDROEZFV-CXUHLZMHSA-N -1 0 519.356 5.682 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000103851786 571365130 /nfs/dbraw/zinc/36/51/30/571365130.db2.gz WIBKKJRTJRUBBF-OQLLNIDSSA-N -1 0 535.811 6.196 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000103851928 571365192 /nfs/dbraw/zinc/36/51/92/571365192.db2.gz PLZUKSLPXOJPQW-KGENOOAVSA-N -1 0 608.432 5.994 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000103851998 571365310 /nfs/dbraw/zinc/36/53/10/571365310.db2.gz CBKLRIRPFHLDFU-LICLKQGHSA-N -1 0 531.392 5.551 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000103852503 571365461 /nfs/dbraw/zinc/36/54/61/571365461.db2.gz GEPDQHVURQHPMI-WOJGMQOQSA-N -1 0 545.419 5.942 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103852616 571365465 /nfs/dbraw/zinc/36/54/65/571365465.db2.gz 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/nfs/dbraw/zinc/43/57/24/571435724.db2.gz LCGWPVJLEVHZPA-GIJQJNRQSA-N -1 0 590.257 6.318 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000112246096 571435865 /nfs/dbraw/zinc/43/58/65/571435865.db2.gz QMNWREBSKBLCNT-YBFXNURJSA-N -1 0 555.812 5.665 40 10 KKCBRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1cccc(Cl)c1 ZINC000113510416 571439437 /nfs/dbraw/zinc/43/94/37/571439437.db2.gz DBVRYSHOWVWCDI-UHFFFAOYSA-N -1 0 543.403 6.417 40 10 KKCBRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccc(F)cc1 ZINC000113511999 571439531 /nfs/dbraw/zinc/43/95/31/571439531.db2.gz JFMSYCCMYLWNRJ-UHFFFAOYSA-N -1 0 526.948 5.902 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000150350297 571461787 /nfs/dbraw/zinc/46/17/87/571461787.db2.gz HIZVTTGRBNDYGH-QDTIIGTASA-N -1 0 658.126 6.639 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223427674 571475070 /nfs/dbraw/zinc/47/50/70/571475070.db2.gz CFDWVENYOWXRGF-VSGBNLITSA-N -1 0 526.662 5.677 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000150404618 571479042 /nfs/dbraw/zinc/47/90/42/571479042.db2.gz NKPYGGVZZSCJSL-UDWIEESQSA-N -1 0 661.290 6.006 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224131923 571482865 /nfs/dbraw/zinc/48/28/65/571482865.db2.gz LAVLCEZMEDKNCG-WTEHXLFCSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224132213 571482980 /nfs/dbraw/zinc/48/29/80/571482980.db2.gz AKMMRKZJAKIHJN-OTWWGAIPSA-N -1 0 614.215 7.500 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150425096 571489531 /nfs/dbraw/zinc/48/95/31/571489531.db2.gz GOEMUCZOQKNCGN-DJKKODMXSA-N -1 0 685.221 7.327 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223515546 571491588 /nfs/dbraw/zinc/49/15/88/571491588.db2.gz FCBGCTZBPSGIIX-XDHOZWIPSA-N -1 0 528.505 6.543 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000150435018 571495015 /nfs/dbraw/zinc/49/50/15/571495015.db2.gz NTXDRNLTZACJTD-MTJSOVHGSA-N -1 0 632.838 5.597 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000150434924 571495026 /nfs/dbraw/zinc/49/50/26/571495026.db2.gz WCUNLRFROWPEEA-XKZIYDEJSA-N -1 0 644.316 6.254 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000150435054 571495047 /nfs/dbraw/zinc/49/50/47/571495047.db2.gz QOJOXLSLOPRKBD-NHDPSOOVSA-N -1 0 681.310 6.641 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223583055 571507456 /nfs/dbraw/zinc/50/74/56/571507456.db2.gz NUOJAZCPINECII-GKXUUXLPSA-N -1 0 526.500 5.701 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150481422 571512516 /nfs/dbraw/zinc/51/25/16/571512516.db2.gz ZRUUVISMYSRAHA-PXNMLYILSA-N -1 0 664.752 5.228 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150481499 571512630 /nfs/dbraw/zinc/51/26/30/571512630.db2.gz ZGIROVRRWANOEA-YDZHTSKRSA-N -1 0 699.364 6.626 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150481419 571512656 /nfs/dbraw/zinc/51/26/56/571512656.db2.gz IFNCEZDCDNERMX-LZYBPNLTSA-N -1 0 617.752 5.386 40 10 KKCBRM Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)[O-])cc1 ZINC000150654908 571526496 /nfs/dbraw/zinc/52/64/96/571526496.db2.gz VTBCQRKTLUHUST-ZIADKAODSA-N -1 0 688.996 8.719 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224369842 571531599 /nfs/dbraw/zinc/53/15/99/571531599.db2.gz AYKKMAOYMDGSII-WUFINQPMSA-N -1 0 510.663 6.488 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224369698 571531673 /nfs/dbraw/zinc/53/16/73/571531673.db2.gz SPTYMELYTXRUJH-NSOVKSMOSA-N -1 0 510.663 6.488 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224370006 571531698 /nfs/dbraw/zinc/53/16/98/571531698.db2.gz RUBLQXHCYMLVJT-IZLXSDGUSA-N -1 0 510.663 6.488 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000164311606 571545449 /nfs/dbraw/zinc/54/54/49/571545449.db2.gz KTPKEGXPUIZVOZ-CCVNUDIWSA-N -1 0 731.587 6.452 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)c1 ZINC000164322337 571545669 /nfs/dbraw/zinc/54/56/69/571545669.db2.gz FWYBENFSRHNBMZ-XODNFHPESA-N -1 0 660.008 8.124 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000164332529 571545823 /nfs/dbraw/zinc/54/58/23/571545823.db2.gz HMFWVXJPWDACMP-VTNSRFBWSA-N -1 0 708.596 8.158 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)c1 ZINC000164325078 571545843 /nfs/dbraw/zinc/54/58/43/571545843.db2.gz ZSDNUARJJUZJEX-RGVLZGJSSA-N -1 0 634.310 6.799 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164332932 571545857 /nfs/dbraw/zinc/54/58/57/571545857.db2.gz UTCUFMFQXIBFDQ-XODNFHPESA-N -1 0 720.458 7.933 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164325693 571545898 /nfs/dbraw/zinc/54/58/98/571545898.db2.gz PQEATHYROZUDQD-VTNSRFBWSA-N -1 0 708.596 8.158 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Br)cc4)cc3Br)C2=O)c1 ZINC000164337092 571546148 /nfs/dbraw/zinc/54/61/48/571546148.db2.gz KHZBKGKCHIYPDZ-CIAFOILYSA-N -1 0 674.342 6.263 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000164353823 571546289 /nfs/dbraw/zinc/54/62/89/571546289.db2.gz MCHTZRCOKLNDIY-IPPBACCNSA-N -1 0 716.604 7.139 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164347080 571546295 /nfs/dbraw/zinc/54/62/95/571546295.db2.gz MOGSBNMZLDTCME-XODNFHPESA-N -1 0 767.458 7.776 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000164354624 571546324 /nfs/dbraw/zinc/54/63/24/571546324.db2.gz OXQWCYGQMNEPQH-CCVNUDIWSA-N -1 0 676.526 7.144 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164374426 571546483 /nfs/dbraw/zinc/54/64/83/571546483.db2.gz NRJSFCKGNXQVNG-GIJQJNRQSA-N -1 0 666.197 5.346 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223800895 571546511 /nfs/dbraw/zinc/54/65/11/571546511.db2.gz DHALJDOWFPNTMP-RRPNLBNLSA-N -1 0 512.635 5.763 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(I)c1 ZINC000164372721 571546569 /nfs/dbraw/zinc/54/65/69/571546569.db2.gz CWYHULBGKFVHJX-VCHYOVAHSA-N -1 0 621.200 5.438 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164377747 571546719 /nfs/dbraw/zinc/54/67/19/571546719.db2.gz JCJVUBBVNHFXTQ-GIJQJNRQSA-N -1 0 713.197 5.189 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164377079 571546732 /nfs/dbraw/zinc/54/67/32/571546732.db2.gz TWFCHIOZXDIIJE-GIJQJNRQSA-N -1 0 794.096 5.885 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164386866 571546773 /nfs/dbraw/zinc/54/67/73/571546773.db2.gz NJOCMSJVPPQEIH-RQZCQDPDSA-N -1 0 624.315 6.704 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164382703 571546852 /nfs/dbraw/zinc/54/68/52/571546852.db2.gz ZTUWDVISNYACAJ-YBFXNURJSA-N -1 0 620.802 5.728 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164376393 571546860 /nfs/dbraw/zinc/54/68/60/571546860.db2.gz UOCNIWUYWSZOMR-REZTVBANSA-N -1 0 737.090 6.587 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000164392364 571546954 /nfs/dbraw/zinc/54/69/54/571546954.db2.gz PYOCGXZSUAESNN-UDWIEESQSA-N -1 0 640.328 6.914 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000164390978 571547035 /nfs/dbraw/zinc/54/70/35/571547035.db2.gz MYFACKUYJVAAJM-VIZOYTHASA-N -1 0 659.158 7.068 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000164390841 571547068 /nfs/dbraw/zinc/54/70/68/571547068.db2.gz GCUYUGZKZQATGP-CXUHLZMHSA-N -1 0 624.713 6.414 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164401419 571547227 /nfs/dbraw/zinc/54/72/27/571547227.db2.gz JKJWZOYJBZHWMB-LICLKQGHSA-N -1 0 667.294 5.612 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164404603 571547273 /nfs/dbraw/zinc/54/72/73/571547273.db2.gz AOKVYXBHDGQJDM-CXUHLZMHSA-N -1 0 624.315 6.704 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000164401607 571547290 /nfs/dbraw/zinc/54/72/90/571547290.db2.gz HHQGKHIHDJCOAD-LICLKQGHSA-N -1 0 714.294 5.454 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000164442665 571547702 /nfs/dbraw/zinc/54/77/02/571547702.db2.gz QXWHFRFCQDVUNF-USHMODERSA-N -1 0 633.458 7.148 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000164445038 571547730 /nfs/dbraw/zinc/54/77/30/571547730.db2.gz BFQJKBZXLKRRPK-REZTVBANSA-N -1 0 703.996 7.526 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000164446831 571547740 /nfs/dbraw/zinc/54/77/40/571547740.db2.gz XOOGBXWLTOMJCF-WSDLNYQXSA-N -1 0 685.166 7.373 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000164448444 571547905 /nfs/dbraw/zinc/54/79/05/571547905.db2.gz VEXPMKCPQLTPQJ-GIJQJNRQSA-N -1 0 635.652 6.019 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164456534 571548140 /nfs/dbraw/zinc/54/81/40/571548140.db2.gz JRZMUNYIAVBBMT-VXLYETTFSA-N -1 0 743.133 6.212 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000164462240 571548388 /nfs/dbraw/zinc/54/83/88/571548388.db2.gz OWBQZTIVMBPLQX-RQZCQDPDSA-N -1 0 655.126 6.772 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000164464831 571548442 /nfs/dbraw/zinc/54/84/42/571548442.db2.gz OGOOMGSNFICGNS-RGVLZGJSSA-N -1 0 634.708 6.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000164463089 571548464 /nfs/dbraw/zinc/54/84/64/571548464.db2.gz FICLYRUYFJULAC-YDZHTSKRSA-N -1 0 636.296 6.619 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000164469299 571548547 /nfs/dbraw/zinc/54/85/47/571548547.db2.gz AOOXYABEZMKNLR-ZVHZXABRSA-N -1 0 697.323 6.851 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000164476116 571548769 /nfs/dbraw/zinc/54/87/69/571548769.db2.gz RAIZKAUCBIVSHV-VEILYXNESA-N -1 0 633.458 7.148 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223823357 571556686 /nfs/dbraw/zinc/55/66/86/571556686.db2.gz ZYKXHCCJPKLCTG-IZLXSDGUSA-N -1 0 526.662 6.072 40 10 KKCBRM COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224537372 571569308 /nfs/dbraw/zinc/56/93/08/571569308.db2.gz NAJXXDWKVAYMAJ-RRPNLBNLSA-N -1 0 512.635 5.681 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223898258 571570470 /nfs/dbraw/zinc/57/04/70/571570470.db2.gz VKTPOMDBVTZCPT-SXOMAYOGSA-N -1 0 511.651 5.430 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223898370 571570644 /nfs/dbraw/zinc/57/06/44/571570644.db2.gz VKTPOMDBVTZCPT-SVBPBHIXSA-N -1 0 511.651 5.430 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21 ZINC000208242517 571573652 /nfs/dbraw/zinc/57/36/52/571573652.db2.gz RJKUZIIYXBHFFX-GGNJANJASA-N -1 0 506.817 6.035 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000208328917 571573817 /nfs/dbraw/zinc/57/38/17/571573817.db2.gz ZBGAQUAZAYMHEI-SKCQWOFPSA-N -1 0 500.426 6.080 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)ccc1Cl ZINC000214797152 571581093 /nfs/dbraw/zinc/58/10/93/571581093.db2.gz AXWUJIDMBRFTLK-DJKKODMXSA-N -1 0 508.766 6.842 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224639169 571592724 /nfs/dbraw/zinc/59/27/24/571592724.db2.gz MLKZNRRFRQCMRZ-CONSDPRKSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224639432 571592809 /nfs/dbraw/zinc/59/28/09/571592809.db2.gz KVHWTIKBGJJXNN-FIRIVFDPSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224642706 571593412 /nfs/dbraw/zinc/59/34/12/571593412.db2.gz DJPCIWDUKFZCKY-AJQTZOPKSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224016491 571595748 /nfs/dbraw/zinc/59/57/48/571595748.db2.gz RJRVROIRXDNXNA-UIOOFZCWSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224672875 571600171 /nfs/dbraw/zinc/60/01/71/571600171.db2.gz ZDAFDMGDTSAGII-ZWXJPIIXSA-N -1 0 574.706 7.465 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224055526 571603100 /nfs/dbraw/zinc/60/31/00/571603100.db2.gz KYJJYJJNLBBCPM-NSOVKSMOSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224707158 571607201 /nfs/dbraw/zinc/60/72/01/571607201.db2.gz YJKHTWXBHVSEHM-ACHIHNKUSA-N -1 0 574.706 7.465 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)cc2)cc1 ZINC000224741935 571612868 /nfs/dbraw/zinc/61/28/68/571612868.db2.gz MTMARMMPKFGQSH-AJQTZOPKSA-N -1 0 590.705 7.165 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224775312 571615947 /nfs/dbraw/zinc/61/59/47/571615947.db2.gz FLVMBIKCDXRDAC-CONSDPRKSA-N -1 0 621.744 7.424 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224775270 571615974 /nfs/dbraw/zinc/61/59/74/571615974.db2.gz FLVMBIKCDXRDAC-IOWSJCHKSA-N -1 0 621.744 7.424 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224778692 571616201 /nfs/dbraw/zinc/61/62/01/571616201.db2.gz WVWOBNOZJRJOLU-AJQTZOPKSA-N -1 0 635.771 7.732 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c(OC)c1 ZINC000224808865 571619086 /nfs/dbraw/zinc/61/90/86/571619086.db2.gz KYGBIFBZOISWSE-KAYWLYCHSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c1 ZINC000224841381 571622323 /nfs/dbraw/zinc/62/23/23/571622323.db2.gz NOCBUXXOTFRGSH-SVBPBHIXSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c1 ZINC000224841512 571622383 /nfs/dbraw/zinc/62/23/83/571622383.db2.gz NOCBUXXOTFRGSH-KAYWLYCHSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224844384 571622598 /nfs/dbraw/zinc/62/25/98/571622598.db2.gz JHYDWXBSCHEDFM-IZLXSDGUSA-N -1 0 542.661 5.690 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224933653 571631417 /nfs/dbraw/zinc/63/14/17/571631417.db2.gz KAUZWLWEDIRYGO-KAYWLYCHSA-N -1 0 575.532 6.744 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224960347 571634062 /nfs/dbraw/zinc/63/40/62/571634062.db2.gz UHKVJBYDMQACKS-FTJBHMTQSA-N -1 0 533.053 6.026 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225046037 571641794 /nfs/dbraw/zinc/64/17/94/571641794.db2.gz KCMAUNQXNPJBLQ-NSOVKSMOSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225075172 571644502 /nfs/dbraw/zinc/64/45/02/571644502.db2.gz UIQZBGYCDKOLSL-SAIUNTKASA-N -1 0 617.731 6.382 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225075071 571644530 /nfs/dbraw/zinc/64/45/30/571644530.db2.gz PJKUBISENNZJFB-LQJZCPKCSA-N -1 0 617.731 6.382 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1NC(=O)C(C)(C)C ZINC000225103763 571647529 /nfs/dbraw/zinc/64/75/29/571647529.db2.gz UFFFIGVKYYPENB-WDYNHAJCSA-N -1 0 597.741 6.358 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225132493 571650398 /nfs/dbraw/zinc/65/03/98/571650398.db2.gz BLJMPEJRAXPVDN-IZLXSDGUSA-N -1 0 588.133 6.612 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225160004 571653309 /nfs/dbraw/zinc/65/33/09/571653309.db2.gz LLHBSAYXMXMZRU-VMPREFPWSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225160417 571653366 /nfs/dbraw/zinc/65/33/66/571653366.db2.gz ZGPIMPPHELDHSR-URLMMPGGSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225163043 571653564 /nfs/dbraw/zinc/65/35/64/571653564.db2.gz PHNQBUJQXSEPMQ-XZWHSSHBSA-N -1 0 567.715 6.330 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1OC ZINC000225188620 571656101 /nfs/dbraw/zinc/65/61/01/571656101.db2.gz OLMOWVZPIHZFPW-URLMMPGGSA-N -1 0 569.687 5.722 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000225244750 571662035 /nfs/dbraw/zinc/66/20/35/571662035.db2.gz BBQUZCRMNRRYCF-WUFINQPMSA-N -1 0 590.105 5.603 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1NC(C)=O ZINC000225320670 571675893 /nfs/dbraw/zinc/67/58/93/571675893.db2.gz GVHIAWNDSNRQQQ-VSGBNLITSA-N -1 0 555.660 5.331 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225345761 571705837 /nfs/dbraw/zinc/70/58/37/571705837.db2.gz CBPRGNKPXJBFPI-NSOVKSMOSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225371772 571737424 /nfs/dbraw/zinc/73/74/24/571737424.db2.gz VYCOLKYFXYAKKM-KYJUHHDHSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225399987 571769860 /nfs/dbraw/zinc/76/98/60/571769860.db2.gz ZFQCWMMLUGSSBG-RRPNLBNLSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225399904 571769946 /nfs/dbraw/zinc/76/99/46/571769946.db2.gz ZFQCWMMLUGSSBG-KAYWLYCHSA-N -1 0 575.716 5.044 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225431091 571798979 /nfs/dbraw/zinc/79/89/79/571798979.db2.gz QUESWOZNSBNRJS-IZLXSDGUSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225456252 571827493 /nfs/dbraw/zinc/82/74/93/571827493.db2.gz GJLVCCXTTGOCLQ-SVBPBHIXSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225529935 571896753 /nfs/dbraw/zinc/89/67/53/571896753.db2.gz FPQBJYGFVPEWQE-WUFINQPMSA-N -1 0 539.661 5.189 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225571970 571932964 /nfs/dbraw/zinc/93/29/64/571932964.db2.gz SXCCKQDVMKMEKQ-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225592612 571948390 /nfs/dbraw/zinc/94/83/90/571948390.db2.gz XEALMMUHBLJASM-VSGBNLITSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225592671 571948468 /nfs/dbraw/zinc/94/84/68/571948468.db2.gz XEALMMUHBLJASM-WUFINQPMSA-N -1 0 557.651 5.328 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225670051 572011663 /nfs/dbraw/zinc/01/16/63/572011663.db2.gz WUZUKICGNZRPNU-IHLOFXLRSA-N -1 0 583.714 5.506 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225686959 572023204 /nfs/dbraw/zinc/02/32/04/572023204.db2.gz KPPKWTRQPXCOBT-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225708154 572038424 /nfs/dbraw/zinc/03/84/24/572038424.db2.gz HCXGVMFPDRFNIJ-CZNDPXEESA-N -1 0 603.748 6.650 40 10 KKCBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225790759 572069108 /nfs/dbraw/zinc/06/91/08/572069108.db2.gz PHJDQVCOXHYUIM-UHFFFAOYSA-N -1 0 569.491 6.450 40 10 KKCBRM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225806944 572073196 /nfs/dbraw/zinc/07/31/96/572073196.db2.gz XYNZSMDFVSKSTB-UHFFFAOYSA-N -1 0 535.046 5.797 40 10 KKCBRM Cc1cc(Br)c(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000408526168 572157229 /nfs/dbraw/zinc/15/72/29/572157229.db2.gz ACBCKMDZHYNXCJ-HZHRSRAPSA-N -1 0 591.506 5.822 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3C)C2=O)c1 ZINC000408526709 572158211 /nfs/dbraw/zinc/15/82/11/572158211.db2.gz CGCOILKJINRVNT-LFVJCYFKSA-N -1 0 526.637 5.368 40 10 KKCBRM O=C(N/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000408526713 572158434 /nfs/dbraw/zinc/15/84/34/572158434.db2.gz CGKMKEGYDUBTEF-HZHRSRAPSA-N -1 0 563.452 5.205 40 10 KKCBRM Cc1c(Br)ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3Br)C2=O)c1C ZINC000408527680 572161292 /nfs/dbraw/zinc/16/12/92/572161292.db2.gz GEXXDIGJGFMRFI-KGENOOAVSA-N -1 0 670.402 6.585 40 10 KKCBRM Cc1cc(Br)c(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1C ZINC000408530555 572172224 /nfs/dbraw/zinc/17/22/24/572172224.db2.gz JFJBEHIXXWLMNI-KGENOOAVSA-N -1 0 670.402 6.585 40 10 KKCBRM COc1ccc(-c2nnc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)s2)cc1 ZINC000408531557 572176088 /nfs/dbraw/zinc/17/60/88/572176088.db2.gz ONADQVOFGMHMQD-PXLXIMEGSA-N -1 0 634.556 6.023 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000408531490 572176152 /nfs/dbraw/zinc/17/61/52/572176152.db2.gz GYRQWHYBVNZGHW-GRSHGNNSSA-N -1 0 690.297 5.132 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408532047 572178618 /nfs/dbraw/zinc/17/86/18/572178618.db2.gz HYARWLZUINMVFZ-ODLFYWEKSA-N -1 0 663.116 6.168 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408532064 572178710 /nfs/dbraw/zinc/17/87/10/572178710.db2.gz HZNVMOAHLJFNMN-BNZRDPNESA-N -1 0 530.964 5.332 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408532637 572180679 /nfs/dbraw/zinc/18/06/79/572180679.db2.gz QPMJCRRGUPLWHH-KGENOOAVSA-N -1 0 554.872 6.149 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2Br)C1=O ZINC000408533153 572182054 /nfs/dbraw/zinc/18/20/54/572182054.db2.gz ODOMSSVBCUGVHV-CJLVFECKSA-N -1 0 591.506 5.768 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)c1 ZINC000408533600 572183962 /nfs/dbraw/zinc/18/39/62/572183962.db2.gz KGVZLRQWNGKQSM-VIBAAIGISA-N -1 0 644.703 6.459 40 10 KKCBRM CCCCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408534470 572185972 /nfs/dbraw/zinc/18/59/72/572185972.db2.gz QYCJUCUTNWWWSP-ZXVVBBHZSA-N -1 0 541.648 5.690 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408534948 572187633 /nfs/dbraw/zinc/18/76/33/572187633.db2.gz NABWBWOFFCLQKD-NVMNQCDNSA-N -1 0 669.109 6.413 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000408535210 572187752 /nfs/dbraw/zinc/18/77/52/572187752.db2.gz YAABBBUOCBHSGO-CPNJWEJPSA-N -1 0 572.862 6.288 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408535283 572188266 /nfs/dbraw/zinc/18/82/66/572188266.db2.gz NKCIPFWUCBPZGZ-NVMNQCDNSA-N -1 0 628.229 5.134 40 10 KKCBRM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408535421 572188611 /nfs/dbraw/zinc/18/86/11/572188611.db2.gz SPPWPICKZJQHBP-KQWNVCNZSA-N -1 0 574.523 5.826 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000408535428 572188712 /nfs/dbraw/zinc/18/87/12/572188712.db2.gz OBLCIAYYGMMJLX-IUXPMGMMSA-N -1 0 648.647 5.479 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408535896 572189799 /nfs/dbraw/zinc/18/97/99/572189799.db2.gz OXBOQQIKYRLEGL-KPFFVQBGSA-N -1 0 655.255 5.713 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 ZINC000408535971 572189852 /nfs/dbraw/zinc/18/98/52/572189852.db2.gz PHUKRPWPXVYZFK-ODLFYWEKSA-N -1 0 593.739 6.007 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1c(C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000408536037 572190314 /nfs/dbraw/zinc/19/03/14/572190314.db2.gz VIRLQCNPYXZBKB-DHDCSXOGSA-N -1 0 536.224 6.072 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc(Cl)cc1 ZINC000408536194 572190323 /nfs/dbraw/zinc/19/03/23/572190323.db2.gz QGPZMIFNRCQBKM-ATVHPVEESA-N -1 0 543.732 5.127 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000408536236 572190552 /nfs/dbraw/zinc/19/05/52/572190552.db2.gz QOECMAIMPQRBBB-ZDLGFXPLSA-N -1 0 674.298 5.431 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000408536489 572191028 /nfs/dbraw/zinc/19/10/28/572191028.db2.gz RQYWHJHODLRGSM-MOSHPQCFSA-N -1 0 539.769 5.297 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408536565 572191672 /nfs/dbraw/zinc/19/16/72/572191672.db2.gz SCTDSIJGCBCLPO-ODLFYWEKSA-N -1 0 663.116 6.168 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccccc1Br ZINC000408536709 572192264 /nfs/dbraw/zinc/19/22/64/572192264.db2.gz XNBSNZKQGRKJFJ-XMHGGMMESA-N -1 0 599.323 6.258 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000408536834 572192296 /nfs/dbraw/zinc/19/22/96/572192296.db2.gz SQGBJSXJHAWSSW-BOPFTXTBSA-N -1 0 590.213 5.650 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408536847 572192881 /nfs/dbraw/zinc/19/28/81/572192881.db2.gz BIXNARMYMAWEBJ-DIBXZPPDSA-N -1 0 593.592 5.818 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537108 572193367 /nfs/dbraw/zinc/19/33/67/572193367.db2.gz CDQCJNRFEZBNGL-CFRMEGHHSA-N -1 0 708.359 6.750 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000408537004 572193405 /nfs/dbraw/zinc/19/34/05/572193405.db2.gz BUHVGDDNXTWIBE-JLPGSUDCSA-N -1 0 567.469 7.198 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537580 572194780 /nfs/dbraw/zinc/19/47/80/572194780.db2.gz FVRNWEUCMHPDJI-JVWAILMASA-N -1 0 643.092 6.580 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408537604 572195020 /nfs/dbraw/zinc/19/50/20/572195020.db2.gz GFBJXJLGNASDND-OVVQPSECSA-N -1 0 597.067 6.872 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537657 572195568 /nfs/dbraw/zinc/19/55/68/572195568.db2.gz GQZSQZMDBWOTTC-FSGOGVSDSA-N -1 0 620.702 6.925 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000408537644 572195635 /nfs/dbraw/zinc/19/56/35/572195635.db2.gz GPPYOYXIGFSQJJ-JLPGSUDCSA-N -1 0 656.371 7.416 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537691 572195679 /nfs/dbraw/zinc/19/56/79/572195679.db2.gz GWENDUXQMVTKTH-MYYYXRDXSA-N -1 0 647.511 7.225 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000408537622 572195699 /nfs/dbraw/zinc/19/56/99/572195699.db2.gz WJMBJYBJMCONNG-WQRHYEAKSA-N -1 0 574.214 5.950 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000408537801 572196189 /nfs/dbraw/zinc/19/61/89/572196189.db2.gz XJGRUEQLPOAMRU-UNOMPAQXSA-N -1 0 598.247 5.714 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408537916 572196469 /nfs/dbraw/zinc/19/64/69/572196469.db2.gz HYLWDPPFOCGPFG-AFUMVMLFSA-N -1 0 696.381 7.979 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408537926 572196522 /nfs/dbraw/zinc/19/65/22/572196522.db2.gz IDFHLZGZOFRAPF-JVWAILMASA-N -1 0 645.083 7.101 40 10 KKCBRM CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408537958 572196601 /nfs/dbraw/zinc/19/66/01/572196601.db2.gz IONDJLKXYSVFAR-XHPQRKPJSA-N -1 0 533.024 6.545 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccccc1 ZINC000408538168 572196839 /nfs/dbraw/zinc/19/68/39/572196839.db2.gz YXTSSVAHEKSWJU-WJDWOHSUSA-N -1 0 588.183 5.236 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408538117 572196982 /nfs/dbraw/zinc/19/69/82/572196982.db2.gz JGJNJKVKHQLQCP-UQQQWYQISA-N -1 0 563.050 6.553 40 10 KKCBRM COc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538399 572197926 /nfs/dbraw/zinc/19/79/26/572197926.db2.gz MGMDJLGWWLOHLY-WPWMEQJKSA-N -1 0 613.464 6.282 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408538356 572197967 /nfs/dbraw/zinc/19/79/67/572197967.db2.gz LMRHOGJSUUSKAU-UNOMPAQXSA-N -1 0 560.401 5.382 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538446 572198062 /nfs/dbraw/zinc/19/80/62/572198062.db2.gz MYWDEDYZTWMWMP-MZFJOGFUSA-N -1 0 705.163 7.761 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538471 572198819 /nfs/dbraw/zinc/19/88/19/572198819.db2.gz NILOFJBCGKHZLC-MTDXEUNCSA-N -1 0 608.647 5.927 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1Br ZINC000408538722 572199532 /nfs/dbraw/zinc/19/95/32/572199532.db2.gz PSVVIRNNWFABRX-CPNJWEJPSA-N -1 0 594.300 6.236 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539111 572200896 /nfs/dbraw/zinc/20/08/96/572200896.db2.gz SZHCAIWHDFFICL-QQXSKIMKSA-N -1 0 617.485 7.217 40 10 KKCBRM COc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539108 572201118 /nfs/dbraw/zinc/20/11/18/572201118.db2.gz SVNBLQYYGRKSHR-WPWMEQJKSA-N -1 0 552.558 5.659 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539312 572201498 /nfs/dbraw/zinc/20/14/98/572201498.db2.gz VIJSWBQZPNNZCT-QFEZKATASA-N -1 0 688.487 6.199 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1OCC ZINC000408539416 572201888 /nfs/dbraw/zinc/20/18/88/572201888.db2.gz HHIUQWJHHVJNHX-RDRPBHBLSA-N -1 0 759.650 7.868 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408539453 572202092 /nfs/dbraw/zinc/20/20/92/572202092.db2.gz WIJMBTZZKFOVSV-MOSHPQCFSA-N -1 0 529.431 5.700 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539352 572202150 /nfs/dbraw/zinc/20/21/50/572202150.db2.gz VTICASXDOYNVJN-YSMPRRRNSA-N -1 0 702.514 6.589 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539561 572202531 /nfs/dbraw/zinc/20/25/31/572202531.db2.gz XMUDGYLHQFCBIS-ZMOGYAJESA-N -1 0 682.354 7.589 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408539641 572202943 /nfs/dbraw/zinc/20/29/43/572202943.db2.gz XUOMMIZRJOODNL-QRQIAZFYSA-N -1 0 637.645 6.217 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539740 572203488 /nfs/dbraw/zinc/20/34/88/572203488.db2.gz YKLPQKAAXOUFHO-VEILYXNESA-N -1 0 583.040 6.563 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1cccc(Cl)c1Cl ZINC000408539838 572203699 /nfs/dbraw/zinc/20/36/99/572203699.db2.gz ZJGCIRQCLYMJFN-QGOAFFKASA-N -1 0 589.317 6.803 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408539916 572203729 /nfs/dbraw/zinc/20/37/29/572203729.db2.gz ZXPBFXHCCDYWEL-LDADJPATSA-N -1 0 519.367 5.222 40 10 KKCBRM CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OC)c2)C1=O ZINC000408540048 572204058 /nfs/dbraw/zinc/20/40/58/572204058.db2.gz MFRHKVZUFKUGOS-PGMHBOJBSA-N -1 0 515.006 5.763 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540045 572204185 /nfs/dbraw/zinc/20/41/85/572204185.db2.gz MFAZOLJRBYIOTQ-OGLMXYFKSA-N -1 0 641.120 7.270 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540280 572204969 /nfs/dbraw/zinc/20/49/69/572204969.db2.gz PPMDEHXEMDHMPP-MYYYXRDXSA-N -1 0 705.989 7.643 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000408540526 572206078 /nfs/dbraw/zinc/20/60/78/572206078.db2.gz SVUGWFIPJKBQJX-BRPDVVIDSA-N -1 0 715.597 7.470 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1OC ZINC000408540539 572206159 /nfs/dbraw/zinc/20/61/59/572206159.db2.gz SZFYEFDEORPNLO-VEILYXNESA-N -1 0 652.700 6.326 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000408540715 572206540 /nfs/dbraw/zinc/20/65/40/572206540.db2.gz VJCNVLDVDUJMHU-WJDWOHSUSA-N -1 0 598.719 6.799 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541032 572207374 /nfs/dbraw/zinc/20/73/74/572207374.db2.gz XKDRXASVEKCIGW-MYYYXRDXSA-N -1 0 661.538 7.534 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408541091 572207434 /nfs/dbraw/zinc/20/74/34/572207434.db2.gz DRERIZPXTIOLRQ-ZXVVBBHZSA-N -1 0 583.710 5.294 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OC)c2)C1=O ZINC000408541043 572207443 /nfs/dbraw/zinc/20/74/43/572207443.db2.gz XLTAQUPMUFTFJU-PGMHBOJBSA-N -1 0 559.457 5.872 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 ZINC000408540950 572207476 /nfs/dbraw/zinc/20/74/76/572207476.db2.gz DDCVANBTZMNWKG-OEAKJJBVSA-N -1 0 574.456 5.070 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541088 572207553 /nfs/dbraw/zinc/20/75/53/572207553.db2.gz BKIJVLKPAOCTPE-KOEQRZSOSA-N -1 0 632.511 5.638 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408541113 572207735 /nfs/dbraw/zinc/20/77/35/572207735.db2.gz XSXIHWPRXJEPOM-WOJGMQOQSA-N -1 0 505.398 5.936 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408541131 572207804 /nfs/dbraw/zinc/20/78/04/572207804.db2.gz XYFCMWMOADSUPW-OOAXWGSJSA-N -1 0 564.663 6.075 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408541313 572208466 /nfs/dbraw/zinc/20/84/66/572208466.db2.gz ZBQACCLWMJZAIQ-DHRITJCHSA-N -1 0 754.859 8.397 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543173 572212255 /nfs/dbraw/zinc/21/22/55/572212255.db2.gz PVFDTWRPYMFROQ-NLRVBDNBSA-N -1 0 569.683 5.040 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543674 572213227 /nfs/dbraw/zinc/21/32/27/572213227.db2.gz PYEUAUHRYSAOAK-HZHRSRAPSA-N -1 0 624.546 6.038 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000408543608 572213245 /nfs/dbraw/zinc/21/32/45/572213245.db2.gz PHCTUCNEOBVPKK-CIAFOILYSA-N -1 0 564.450 5.614 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c3ccccc32)c1 ZINC000408544886 572216755 /nfs/dbraw/zinc/21/67/55/572216755.db2.gz YGIAOJZATFTDJH-YDZHTSKRSA-N -1 0 574.456 5.070 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550680 572234600 /nfs/dbraw/zinc/23/46/00/572234600.db2.gz GGIHEIWVBTWCQI-QFEZKATASA-N -1 0 786.406 7.260 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550682 572234674 /nfs/dbraw/zinc/23/46/74/572234674.db2.gz GGWUFBJYCNTYJK-LSCVHKIXSA-N -1 0 633.828 5.638 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408550895 572235044 /nfs/dbraw/zinc/23/50/44/572235044.db2.gz IEKUNMPILVQADU-RGVLZGJSSA-N -1 0 724.335 6.079 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000408551105 572235314 /nfs/dbraw/zinc/23/53/14/572235314.db2.gz BEVRYJMYISOWBS-SXGWCWSVSA-N -1 0 637.701 6.402 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551146 572235728 /nfs/dbraw/zinc/23/57/28/572235728.db2.gz BXFHMRFAPMZSJK-ZDLGFXPLSA-N -1 0 605.228 5.145 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408551405 572236111 /nfs/dbraw/zinc/23/61/11/572236111.db2.gz COQNKTXAIUSZFX-UDWIEESQSA-N -1 0 633.282 5.839 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408551676 572236528 /nfs/dbraw/zinc/23/65/28/572236528.db2.gz FHUSDFLEWWFBQR-YVLHZVERSA-N -1 0 637.701 6.402 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552210 572237766 /nfs/dbraw/zinc/23/77/66/572237766.db2.gz PFYFZUVIERWVLJ-QGMBQPNBSA-N -1 0 728.754 6.642 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552955 572239500 /nfs/dbraw/zinc/23/95/00/572239500.db2.gz LYYATSHLPOTEAR-REZTVBANSA-N -1 0 623.276 6.301 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408552854 572239613 /nfs/dbraw/zinc/23/96/13/572239613.db2.gz KZFUWSLIDGAJMF-YBFXNURJSA-N -1 0 619.255 5.448 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408553196 572240260 /nfs/dbraw/zinc/24/02/60/572240260.db2.gz MOHBLAQMRLBOSQ-MFOYZWKCSA-N -1 0 579.223 5.984 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553351 572240372 /nfs/dbraw/zinc/24/03/72/572240372.db2.gz VIGMPBATPLFBON-QGMBQPNBSA-N -1 0 714.727 6.334 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554126 572241419 /nfs/dbraw/zinc/24/14/19/572241419.db2.gz QFAZCMYIJZKXFQ-ZDLGFXPLSA-N -1 0 623.674 6.093 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554009 572241445 /nfs/dbraw/zinc/24/14/45/572241445.db2.gz YBNGEVXYWAIYHM-GRSHGNNSSA-N -1 0 691.318 5.625 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554014 572241459 /nfs/dbraw/zinc/24/14/59/572241459.db2.gz YCJCMXFKYPYNOV-APSNUPSMSA-N -1 0 657.721 7.036 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408555098 572242474 /nfs/dbraw/zinc/24/24/74/572242474.db2.gz VMMGDHHSYDRVRV-YVLHZVERSA-N -1 0 589.229 5.440 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555872 572243282 /nfs/dbraw/zinc/24/32/82/572243282.db2.gz ZFJMYZFBKCIXJQ-REZTVBANSA-N -1 0 609.249 5.993 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1OCC ZINC000408555897 572243537 /nfs/dbraw/zinc/24/35/37/572243537.db2.gz ZNZCONWNQQKYLK-HYARGMPZSA-N -1 0 612.466 5.865 40 10 KKCBRM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408596658 572271078 /nfs/dbraw/zinc/27/10/78/572271078.db2.gz XIVMKKFFDIPYJP-IBGZPJMESA-N -1 0 541.069 5.588 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408604109 572273896 /nfs/dbraw/zinc/27/38/96/572273896.db2.gz SMYXXXXRDWIVDQ-HAHDFKILSA-N -1 0 543.919 5.754 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000408630867 572286709 /nfs/dbraw/zinc/28/67/09/572286709.db2.gz DJBBDPRTNMAIMZ-NHDPSOOVSA-N -1 0 515.422 6.412 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])o1 ZINC000408632262 572288629 /nfs/dbraw/zinc/28/86/29/572288629.db2.gz IFRGSGRIWRKWFU-LSFURLLWSA-N -1 0 525.970 5.753 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)[O-])o2)c1 ZINC000408632734 572289253 /nfs/dbraw/zinc/28/92/53/572289253.db2.gz KBMKHNPHRJRSSQ-AUEPDCJTSA-N -1 0 521.551 5.108 40 10 KKCBRM CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])o1 ZINC000408632754 572289278 /nfs/dbraw/zinc/28/92/78/572289278.db2.gz SFJXIVQAEXSDJD-MFOYZWKCSA-N -1 0 509.369 5.170 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(C=C(Sc3n[nH]c(-c4cc(OC)cc(OC)c4)n3)C(=O)[O-])c2C)c1C ZINC000408633076 572289713 /nfs/dbraw/zinc/28/97/13/572289713.db2.gz LIMMNYNWHBTIHJ-ZMOGYAJESA-N -1 0 548.621 5.209 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3n[nH]c(-c4cc(OC)cc(OC)c4)n3)C(=O)[O-])c2C)cc1 ZINC000408633356 572290035 /nfs/dbraw/zinc/29/00/35/572290035.db2.gz MQTAUUFBZAUPPU-OYKKKHCWSA-N -1 0 548.621 5.291 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])o1 ZINC000408633573 572290367 /nfs/dbraw/zinc/29/03/67/572290367.db2.gz NXZRBOAFTLPJDW-YBFXNURJSA-N -1 0 502.936 5.125 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260569424 572322636 /nfs/dbraw/zinc/32/26/36/572322636.db2.gz QFIKZKQKBNKTOZ-SVZNOHIVSA-N -1 0 526.500 5.781 40 10 KKCBRM COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)c1 ZINC000103126022 1069708518 /nfs/dbraw/zinc/70/85/18/1069708518.db2.gz MGPNWKJYCGNSMG-STZFKDTASA-N -1 0 534.037 5.163 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000108422887 1069716828 /nfs/dbraw/zinc/71/68/28/1069716828.db2.gz KNQABSQYLKWJCC-NVMNQCDNSA-N -1 0 590.257 6.848 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408768479 1069739204 /nfs/dbraw/zinc/73/92/04/1069739204.db2.gz GCAQZLMQVSMVTH-RGVLZGJSSA-N -1 0 529.351 5.777 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408812470 1069742412 /nfs/dbraw/zinc/74/24/12/1069742412.db2.gz MZKLIXTYCRRTJM-GIJQJNRQSA-N -1 0 682.254 6.150 40 10 KKCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408835078 1069744832 /nfs/dbraw/zinc/74/48/32/1069744832.db2.gz XWYAKRZJPHCQHF-WYRVFIIPSA-N -1 0 583.688 6.629 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408834203 1069744863 /nfs/dbraw/zinc/74/48/63/1069744863.db2.gz LDLGNIICPCDBIS-WKULSOCRSA-N -1 0 779.414 8.584 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)c(OC)cc1Cl ZINC000408833547 1069744910 /nfs/dbraw/zinc/74/49/10/1069744910.db2.gz SYFTVHWYMDFTTN-WOJGMQOQSA-N -1 0 527.360 5.256 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1ccccc1Br ZINC000408867313 1069747520 /nfs/dbraw/zinc/74/75/20/1069747520.db2.gz LMCBEPMONBKVMC-XDHOZWIPSA-N -1 0 539.813 5.677 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc3ccccc32)C1=O ZINC000408877916 1069748861 /nfs/dbraw/zinc/74/88/61/1069748861.db2.gz YAFIAIBOKVUCIC-UQQQWYQISA-N -1 0 555.428 6.410 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408881870 1069749900 /nfs/dbraw/zinc/74/99/00/1069749900.db2.gz KUBXNHXDJGRDBI-WSDLNYQXSA-N -1 0 600.840 5.827 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408882158 1069749921 /nfs/dbraw/zinc/74/99/21/1069749921.db2.gz NSAVBNNGKYUFIY-YDZHTSKRSA-N -1 0 577.475 6.327 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408940987 1069761081 /nfs/dbraw/zinc/76/10/81/1069761081.db2.gz WEYHTCOVYCRVHV-JVWAILMASA-N -1 0 681.550 6.714 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408770931 1069870202 /nfs/dbraw/zinc/87/02/02/1069870202.db2.gz BDDMMGJGLYVJRL-YZSQISJMSA-N -1 0 506.558 5.792 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408774752 1069891071 /nfs/dbraw/zinc/89/10/71/1069891071.db2.gz CSFHQSSVOKQIHL-RGVLZGJSSA-N -1 0 556.358 5.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408775195 1069892000 /nfs/dbraw/zinc/89/20/00/1069892000.db2.gz ORWWOZKYCRBFQQ-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408778301 1069896773 /nfs/dbraw/zinc/89/67/73/1069896773.db2.gz CZBJWBNBYSEWKT-WGOQTCKBSA-N -1 0 560.437 6.646 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408778270 1069897187 /nfs/dbraw/zinc/89/71/87/1069897187.db2.gz RXEQFVOGJBSRRR-GIJQJNRQSA-N -1 0 810.551 6.399 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)c1 ZINC000408778976 1069899006 /nfs/dbraw/zinc/89/90/06/1069899006.db2.gz NVTAHNHODWXFBT-CIAFOILYSA-N -1 0 523.358 5.450 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000408779452 1069900710 /nfs/dbraw/zinc/90/07/10/1069900710.db2.gz WYJQJNCHCYGMQM-LFVJCYFKSA-N -1 0 532.090 6.227 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408781250 1069902434 /nfs/dbraw/zinc/90/24/34/1069902434.db2.gz BPLOLDRRNBLCHY-VXLYETTFSA-N -1 0 543.776 5.795 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408780497 1069903918 /nfs/dbraw/zinc/90/39/18/1069903918.db2.gz ZVTRBIGZSYCZFE-OEAKJJBVSA-N -1 0 608.819 6.343 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408782346 1069906699 /nfs/dbraw/zinc/90/66/99/1069906699.db2.gz HFDHKLSXRBTNSJ-WSDLNYQXSA-N -1 0 614.411 5.691 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)c1 ZINC000408782602 1069907696 /nfs/dbraw/zinc/90/76/96/1069907696.db2.gz KWXGKPOPUPZJLL-KEBDBYFISA-N -1 0 712.709 6.411 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408783381 1069909354 /nfs/dbraw/zinc/90/93/54/1069909354.db2.gz KVBATQUBVMHZPW-VCHYOVAHSA-N -1 0 588.227 5.905 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000408784936 1069912184 /nfs/dbraw/zinc/91/21/84/1069912184.db2.gz WVNGYGPUWARMBQ-CIAFOILYSA-N -1 0 597.365 5.062 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408784905 1069912316 /nfs/dbraw/zinc/91/23/16/1069912316.db2.gz DCNLOXJNQQOWPZ-DJKKODMXSA-N -1 0 599.821 5.475 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408784827 1069912544 /nfs/dbraw/zinc/91/25/44/1069912544.db2.gz UAYGYNGCMVUFBV-VCHYOVAHSA-N -1 0 624.702 7.053 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C2=O)c1 ZINC000408781866 1069916994 /nfs/dbraw/zinc/91/69/94/1069916994.db2.gz FNMILPCWERSUKI-FSJBWODESA-N -1 0 518.400 6.280 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408789762 1069918292 /nfs/dbraw/zinc/91/82/92/1069918292.db2.gz LBFWYEOIKBCKNY-UDWIEESQSA-N -1 0 558.940 6.311 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C2=O)cc1 ZINC000408790461 1069919039 /nfs/dbraw/zinc/91/90/39/1069919039.db2.gz RQHSCADVYJLJRD-PXLXIMEGSA-N -1 0 531.634 5.050 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408790835 1069919798 /nfs/dbraw/zinc/91/97/98/1069919798.db2.gz RIAZOQVAJZPAAT-OEAKJJBVSA-N -1 0 504.970 5.601 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408787196 1069923875 /nfs/dbraw/zinc/92/38/75/1069923875.db2.gz UMFRFKVSYIIUCU-AWQFTUOYSA-N -1 0 604.284 6.627 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000408794679 1069927089 /nfs/dbraw/zinc/92/70/89/1069927089.db2.gz ASUDRVFCXHDGMF-OEAKJJBVSA-N -1 0 533.422 5.928 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408794634 1069927171 /nfs/dbraw/zinc/92/71/71/1069927171.db2.gz ADLJIYBJJFATHA-YBFXNURJSA-N -1 0 695.735 6.660 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1C ZINC000408796180 1069928749 /nfs/dbraw/zinc/92/87/49/1069928749.db2.gz DUIDZILIVTXKCI-CIAFOILYSA-N -1 0 505.914 5.110 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408791187 1069929378 /nfs/dbraw/zinc/92/93/78/1069929378.db2.gz WETVGYVBBDRAKK-WSDLNYQXSA-N -1 0 539.415 6.254 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408798024 1069932865 /nfs/dbraw/zinc/93/28/65/1069932865.db2.gz DLPAKROSMAWDKI-GIDUJCDVSA-N -1 0 692.120 7.159 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408798492 1069933049 /nfs/dbraw/zinc/93/30/49/1069933049.db2.gz ITNAAHIGQCJRGK-YBFXNURJSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)c(C)c1 ZINC000408798852 1069933691 /nfs/dbraw/zinc/93/36/91/1069933691.db2.gz GGDDIAWFJJDVGT-VUTHCHCSSA-N -1 0 540.619 7.164 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408799571 1069934475 /nfs/dbraw/zinc/93/44/75/1069934475.db2.gz HDCIZLZREITTJS-BUVRLJJBSA-N -1 0 541.003 6.446 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408800493 1069937188 /nfs/dbraw/zinc/93/71/88/1069937188.db2.gz MZEZLTWABUWVJD-RGVLZGJSSA-N -1 0 617.869 6.468 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000408801824 1069940219 /nfs/dbraw/zinc/94/02/19/1069940219.db2.gz CBURSIUBMVLFLA-HZHRSRAPSA-N -1 0 541.947 5.955 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000408799799 1069935555 /nfs/dbraw/zinc/93/55/55/1069935555.db2.gz LIBHHUQMMBYJBX-YBFXNURJSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000408806371 1069942018 /nfs/dbraw/zinc/94/20/18/1069942018.db2.gz IXUATSKOQHJBSA-FYJGNVAPSA-N -1 0 550.365 5.220 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408802571 1069944853 /nfs/dbraw/zinc/94/48/53/1069944853.db2.gz YWWJCRLLAKHQRC-XNTDXEJSSA-N -1 0 521.795 5.265 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408802523 1069944943 /nfs/dbraw/zinc/94/49/43/1069944943.db2.gz YMDXJWXZGNRVAA-CAOOACKPSA-N -1 0 621.227 5.918 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408802442 1069945003 /nfs/dbraw/zinc/94/50/03/1069945003.db2.gz FCLRRURCUTWKFR-RGVLZGJSSA-N -1 0 535.940 5.119 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408802904 1069945882 /nfs/dbraw/zinc/94/58/82/1069945882.db2.gz JAZIDCOEKZJWJV-DJKKODMXSA-N -1 0 681.266 5.639 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)c(Br)c2)C1=O ZINC000408803793 1069948177 /nfs/dbraw/zinc/94/81/77/1069948177.db2.gz ANECSFAYXDSAHT-WOJGMQOQSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408803796 1069948479 /nfs/dbraw/zinc/94/84/79/1069948479.db2.gz ANPQZBWATJWDKV-LICLKQGHSA-N -1 0 606.775 5.338 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408804180 1069949071 /nfs/dbraw/zinc/94/90/71/1069949071.db2.gz CWIFRCKSQVISGO-CIAFOILYSA-N -1 0 675.317 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408804392 1069949880 /nfs/dbraw/zinc/94/98/80/1069949880.db2.gz FITWHXKOVLRLPC-RGVLZGJSSA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408804399 1069950100 /nfs/dbraw/zinc/95/01/00/1069950100.db2.gz FNEKMTQDTPUEDJ-UFWORHAWSA-N -1 0 635.254 6.308 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408803128 1069946554 /nfs/dbraw/zinc/94/65/54/1069946554.db2.gz LMFSRCFHVLKTMF-PCLIKHOPSA-N -1 0 569.013 6.224 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408803154 1069946844 /nfs/dbraw/zinc/94/68/44/1069946844.db2.gz LUBMMTOGTHMUSC-UDWIEESQSA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408802975 1069946907 /nfs/dbraw/zinc/94/69/07/1069946907.db2.gz JUQHSRJWRJTPLE-YDZHTSKRSA-N -1 0 518.997 5.909 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408804788 1069951895 /nfs/dbraw/zinc/95/18/95/1069951895.db2.gz BJHBQBOEIRBIKO-RQZCQDPDSA-N -1 0 625.100 6.764 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408807515 1069952365 /nfs/dbraw/zinc/95/23/65/1069952365.db2.gz DBWCCOIHYNTCAP-RGVLZGJSSA-N -1 0 627.391 5.070 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408805604 1069953442 /nfs/dbraw/zinc/95/34/42/1069953442.db2.gz HFBYQEJDHUDTOV-WGOQTCKBSA-N -1 0 520.585 6.019 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408806248 1069955777 /nfs/dbraw/zinc/95/57/77/1069955777.db2.gz BJDNKOYCRWTNHA-DEDYPNTBSA-N -1 0 508.933 5.432 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)cc3)C2=O)cc1 ZINC000408805835 1069954170 /nfs/dbraw/zinc/95/41/70/1069954170.db2.gz LTMABORUEYULCH-YZSQISJMSA-N -1 0 520.541 5.180 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1C ZINC000408805699 1069954272 /nfs/dbraw/zinc/95/42/72/1069954272.db2.gz CAFFVFYGYWOATR-LPYMAVHISA-N -1 0 584.264 6.074 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408806221 1069955806 /nfs/dbraw/zinc/95/58/06/1069955806.db2.gz BFDCSFWLTNFWNQ-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408808776 1069960763 /nfs/dbraw/zinc/96/07/63/1069960763.db2.gz FZQLCUJBCNOUJG-OGLMXYFKSA-N -1 0 688.518 6.823 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)C1=O ZINC000408808635 1069959532 /nfs/dbraw/zinc/95/95/32/1069959532.db2.gz MTHKMBPJEIJCBO-RGVLZGJSSA-N -1 0 604.682 6.419 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408811404 1069965947 /nfs/dbraw/zinc/96/59/47/1069965947.db2.gz VLDJQIMEURAHGA-YBFXNURJSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000408810336 1069963630 /nfs/dbraw/zinc/96/36/30/1069963630.db2.gz IQWPYFAXVLITIQ-HYARGMPZSA-N -1 0 575.846 6.810 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408811665 1069966149 /nfs/dbraw/zinc/96/61/49/1069966149.db2.gz LTVHNXPPKNICQJ-OEAKJJBVSA-N -1 0 531.395 6.700 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408811111 1069965189 /nfs/dbraw/zinc/96/51/89/1069965189.db2.gz KDOSGQUVQGYMFS-RGVLZGJSSA-N -1 0 616.839 5.815 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408811800 1069966226 /nfs/dbraw/zinc/96/62/26/1069966226.db2.gz OHMOHZGTXDUJKC-GIJQJNRQSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408810931 1069965438 /nfs/dbraw/zinc/96/54/38/1069965438.db2.gz VAZWZGYHSTUVOX-LPYMAVHISA-N -1 0 640.430 5.030 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408809072 1069961384 /nfs/dbraw/zinc/96/13/84/1069961384.db2.gz HGHCYLHHXNGWOR-HZHRSRAPSA-N -1 0 626.447 5.724 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408815589 1069969988 /nfs/dbraw/zinc/96/99/88/1069969988.db2.gz SRKWYPWPWZVMRS-VCHYOVAHSA-N -1 0 647.809 5.415 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000408815373 1069970110 /nfs/dbraw/zinc/97/01/10/1069970110.db2.gz WLZRKZUVNHCONN-GZTJUZNOSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408817691 1069975573 /nfs/dbraw/zinc/97/55/73/1069975573.db2.gz WDQNTFPUNICBSJ-WGOQTCKBSA-N -1 0 522.557 5.411 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000408816001 1069971835 /nfs/dbraw/zinc/97/18/35/1069971835.db2.gz SDTFFPCENCRNJC-UDWIEESQSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408818438 1069977055 /nfs/dbraw/zinc/97/70/55/1069977055.db2.gz WVAVEQJTUPMMDO-ZVHZXABRSA-N -1 0 624.475 6.115 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc5c6c(c4)[C@@H](c4ccccc4)CCN6CC[C@@H]5c4ccccc4)C3=O)cc2Br)cc1C ZINC000408822453 1069982661 /nfs/dbraw/zinc/98/26/61/1069982661.db2.gz BYZCVHIUPHIMFP-BLPXWJRUSA-N -1 0 752.709 9.189 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000408814792 1069981205 /nfs/dbraw/zinc/98/12/05/1069981205.db2.gz ZQTALZQNOJEDTR-CXUHLZMHSA-N -1 0 550.225 6.854 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408814832 1069981287 /nfs/dbraw/zinc/98/12/87/1069981287.db2.gz SJVFWJGTAJYHTP-ZVHZXABRSA-N -1 0 541.003 6.364 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408822439 1069982552 /nfs/dbraw/zinc/98/25/52/1069982552.db2.gz BTTMRHGIRTZMEG-VULFUBBASA-N -1 0 686.773 8.234 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408823279 1069986599 /nfs/dbraw/zinc/98/65/99/1069986599.db2.gz DQDQBBMGASOAHK-LPYMAVHISA-N -1 0 621.871 6.518 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408823518 1069988460 /nfs/dbraw/zinc/98/84/60/1069988460.db2.gz FSJHUTNSCJCPEH-OEAKJJBVSA-N -1 0 534.996 5.691 40 10 KKCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408821411 1069997580 /nfs/dbraw/zinc/99/75/80/1069997580.db2.gz HBMKLURICNWWDG-HZHRSRAPSA-N -1 0 614.290 6.246 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2)c1 ZINC000408821545 1069997656 /nfs/dbraw/zinc/99/76/56/1069997656.db2.gz ISFCTNNEDYVSKB-MTDXEUNCSA-N -1 0 553.014 6.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408820924 1069995251 /nfs/dbraw/zinc/99/52/51/1069995251.db2.gz AOJPJOMJUDZRCS-GREAQNRRSA-N -1 0 850.153 9.466 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408821138 1069995981 /nfs/dbraw/zinc/99/59/81/1069995981.db2.gz CVVPVZFBZQIUEP-GREAQNRRSA-N -1 0 742.247 9.001 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408821573 1069997877 /nfs/dbraw/zinc/99/78/77/1069997877.db2.gz IZIVIYSGMPGURH-RGVLZGJSSA-N -1 0 550.995 5.228 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1Cl ZINC000408821709 1069998489 /nfs/dbraw/zinc/99/84/89/1069998489.db2.gz AIVGZSFZZGWUKS-CGNFZBKXSA-N -1 0 744.291 9.925 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408826100 1070002415 /nfs/dbraw/zinc/00/24/15/1070002415.db2.gz BNJVLDHOBYRNHP-RCFBDEJTSA-N -1 0 740.816 8.871 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408822126 1070000775 /nfs/dbraw/zinc/00/07/75/1070000775.db2.gz BIXIEWIXQDMCBT-LPYMAVHISA-N -1 0 565.420 5.410 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000408826220 1070003192 /nfs/dbraw/zinc/00/31/92/1070003192.db2.gz BTIPLTNOSAXHCG-SRZZPIQSSA-N -1 0 681.310 6.641 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408828685 1070003670 /nfs/dbraw/zinc/00/36/70/1070003670.db2.gz LUPBNWKLOYMABG-CVKSISIWSA-N -1 0 707.331 6.944 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408826539 1070004235 /nfs/dbraw/zinc/00/42/35/1070004235.db2.gz JTKLHUVHBBVSOR-WYMPLXKRSA-N -1 0 672.348 8.133 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408826999 1070004821 /nfs/dbraw/zinc/00/48/21/1070004821.db2.gz LYUMTNGXZPUCJZ-MFKUBSTISA-N -1 0 607.877 7.471 40 10 KKCBRM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408827431 1070006713 /nfs/dbraw/zinc/00/67/13/1070006713.db2.gz CXLQYISJCLCFFT-HOHBXZEHSA-N -1 0 619.721 7.392 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408825280 1070012791 /nfs/dbraw/zinc/01/27/91/1070012791.db2.gz RVBAWSZIOAUANF-OPTCCTCHSA-N -1 0 833.577 9.343 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408825509 1070013240 /nfs/dbraw/zinc/01/32/40/1070013240.db2.gz KDBQLQDHBDGWTD-XKZIYDEJSA-N -1 0 643.843 7.828 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408825613 1070013278 /nfs/dbraw/zinc/01/32/78/1070013278.db2.gz KLPROESVLUNOIA-NVMNQCDNSA-N -1 0 705.254 7.261 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408828691 1070014813 /nfs/dbraw/zinc/01/48/13/1070014813.db2.gz NOLOKHWGSCDENL-VULFUBBASA-N -1 0 686.773 8.234 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408830268 1070017122 /nfs/dbraw/zinc/01/71/22/1070017122.db2.gz PDFYECFHFAMYOI-NHDPSOOVSA-N -1 0 558.940 6.230 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408830214 1070017439 /nfs/dbraw/zinc/01/74/39/1070017439.db2.gz ORIJLVLKAQYHGE-WSDLNYQXSA-N -1 0 599.865 6.144 40 10 KKCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408830643 1070018645 /nfs/dbraw/zinc/01/86/45/1070018645.db2.gz ONBKLUXOBKKHJN-LPYMAVHISA-N -1 0 520.969 5.301 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000408832163 1070023300 /nfs/dbraw/zinc/02/33/00/1070023300.db2.gz QDQHSGOKBMDQGH-KOEQRZSOSA-N -1 0 514.578 5.428 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408832739 1070024390 /nfs/dbraw/zinc/02/43/90/1070024390.db2.gz IOXHUUORGCERIF-CVKSISIWSA-N -1 0 647.909 6.936 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408828513 1070025807 /nfs/dbraw/zinc/02/58/07/1070025807.db2.gz MRZLVPPDWOVCMI-CCVNUDIWSA-N -1 0 771.435 8.438 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000408836243 1070026221 /nfs/dbraw/zinc/02/62/21/1070026221.db2.gz ZYQLKFVFQDQZOZ-XKZIYDEJSA-N -1 0 585.365 7.411 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408833702 1070031596 /nfs/dbraw/zinc/03/15/96/1070031596.db2.gz SFMAUQZTOOBNAP-FDAWAROLSA-N -1 0 681.572 8.678 40 10 KKCBRM CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408834099 1070032972 /nfs/dbraw/zinc/03/29/72/1070032972.db2.gz LAGCAWFQHCZFTE-WPWMEQJKSA-N -1 0 541.003 6.526 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCC ZINC000408834190 1070032999 /nfs/dbraw/zinc/03/29/99/1070032999.db2.gz TZFDVZMYHDXUAV-LPYMAVHISA-N -1 0 691.316 6.097 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408834571 1070034322 /nfs/dbraw/zinc/03/43/22/1070034322.db2.gz WNCQZVALWIIHFS-WGOQTCKBSA-N -1 0 587.459 7.126 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408836184 1070040385 /nfs/dbraw/zinc/04/03/85/1070040385.db2.gz ZQMPXXBOQZLWGQ-OKCVXOCRSA-N -1 0 746.441 9.132 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)sc2=N1 ZINC000408839972 1070042221 /nfs/dbraw/zinc/04/22/21/1070042221.db2.gz DUVVOGYRWHKGPN-USDTVRPUSA-N -1 0 678.605 5.455 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000408845843 1070052505 /nfs/dbraw/zinc/05/25/05/1070052505.db2.gz HRUVVNQKMYKQKV-RIYZIHGNSA-N -1 0 722.613 7.424 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408845271 1070051480 /nfs/dbraw/zinc/05/14/80/1070051480.db2.gz LVWGYWNITVWTCH-LFIBNONCSA-N -1 0 596.717 6.820 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408847101 1070054952 /nfs/dbraw/zinc/05/49/52/1070054952.db2.gz PEIHQTVEQIKVPP-QGMBQPNBSA-N -1 0 641.220 5.991 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408847145 1070055625 /nfs/dbraw/zinc/05/56/25/1070055625.db2.gz LVNJMBIUUPSYMG-VCHYOVAHSA-N -1 0 575.304 7.135 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408852467 1070059693 /nfs/dbraw/zinc/05/96/93/1070059693.db2.gz LFMDCTXNKHQBRU-LCYFTJDESA-N -1 0 512.201 6.392 40 10 KKCBRM CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cccc1OC ZINC000408843387 1070057619 /nfs/dbraw/zinc/05/76/19/1070057619.db2.gz FDMYLCFTSUJKKY-PNSXTIHLSA-N -1 0 528.649 6.007 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408852185 1070058712 /nfs/dbraw/zinc/05/87/12/1070058712.db2.gz CXCZPHJDNNWFEO-CXUHLZMHSA-N -1 0 582.292 6.719 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4c(c3)OCO4)C2=O)cc1C ZINC000408852792 1070059485 /nfs/dbraw/zinc/05/94/85/1070059485.db2.gz NMCZQNGWFKFZNJ-CIAFOILYSA-N -1 0 549.377 5.040 40 10 KKCBRM COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408850220 1070064239 /nfs/dbraw/zinc/06/42/39/1070064239.db2.gz INZZFSDXFVXDDS-WEVVVXLNSA-N -1 0 659.070 5.043 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408850633 1070064319 /nfs/dbraw/zinc/06/43/19/1070064319.db2.gz PXVZVHSYWOSPPD-LICLKQGHSA-N -1 0 561.874 6.374 40 10 KKCBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408851084 1070065537 /nfs/dbraw/zinc/06/55/37/1070065537.db2.gz HRHFBWNZDXSERX-WEVVVXLNSA-N -1 0 565.070 5.358 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)c1 ZINC000408851063 1070065719 /nfs/dbraw/zinc/06/57/19/1070065719.db2.gz VMEWPCWUVMYKLY-LPYMAVHISA-N -1 0 599.467 6.435 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408851182 1070065748 /nfs/dbraw/zinc/06/57/48/1070065748.db2.gz JICWHLOIFOTAPO-VCHYOVAHSA-N -1 0 587.224 5.014 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(F)c1 ZINC000408851134 1070065882 /nfs/dbraw/zinc/06/58/82/1070065882.db2.gz IWKRMFMDVKDCEX-LDADJPATSA-N -1 0 545.419 5.942 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408849514 1070062909 /nfs/dbraw/zinc/06/29/09/1070062909.db2.gz WMXLEGZEQZDMOE-MHWRWJLKSA-N -1 0 552.266 6.711 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1C ZINC000408856987 1070067480 /nfs/dbraw/zinc/06/74/80/1070067480.db2.gz KARUJEFWKXAGFI-LPYMAVHISA-N -1 0 523.358 5.450 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408857318 1070067798 /nfs/dbraw/zinc/06/77/98/1070067798.db2.gz UHDYPRLTIAHSAL-NTEUORMPSA-N -1 0 589.369 5.442 40 10 KKCBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408854575 1070072873 /nfs/dbraw/zinc/07/28/73/1070072873.db2.gz IRQDKCBSRPHTCX-WEVVVXLNSA-N -1 0 520.619 5.249 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(I)c3)C2=O)cc1C ZINC000408855070 1070074082 /nfs/dbraw/zinc/07/40/82/1070074082.db2.gz DCDJOCWACZMCES-CIAFOILYSA-N -1 0 570.358 5.293 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3Cl)c(Br)c2)C1=O ZINC000408865605 1070083383 /nfs/dbraw/zinc/08/33/83/1070083383.db2.gz DCLPTRFPHVZLEB-MOSHPQCFSA-N -1 0 523.814 5.922 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000408866122 1070085045 /nfs/dbraw/zinc/08/50/45/1070085045.db2.gz GNFMNQCJTPENJV-NDENLUEZSA-N -1 0 569.839 5.919 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408870511 1070093745 /nfs/dbraw/zinc/09/37/45/1070093745.db2.gz STBCVKDJXXDJMT-RGVLZGJSSA-N -1 0 555.812 5.377 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)cc1 ZINC000408870582 1070093802 /nfs/dbraw/zinc/09/38/02/1070093802.db2.gz WPIPDFUNYCHIDO-LDADJPATSA-N -1 0 530.205 6.013 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408873942 1070099701 /nfs/dbraw/zinc/09/97/01/1070099701.db2.gz XPJCGLFUDHVZKF-WQRHYEAKSA-N -1 0 557.803 5.898 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408873752 1070099880 /nfs/dbraw/zinc/09/98/80/1070099880.db2.gz WSLWIVXUQKWNPU-RGVLZGJSSA-N -1 0 645.291 5.936 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408874864 1070102277 /nfs/dbraw/zinc/10/22/77/1070102277.db2.gz DOIZGGRAZSYPLL-NDENLUEZSA-N -1 0 510.974 5.288 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3Br)c(Cl)c2)C1=O ZINC000408879720 1070103942 /nfs/dbraw/zinc/10/39/42/1070103942.db2.gz CQUHTSCKALUDLK-XDHOZWIPSA-N -1 0 509.787 5.668 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408879772 1070104022 /nfs/dbraw/zinc/10/40/22/1070104022.db2.gz DEMZTSBWMRZQPD-BKUYFWCQSA-N -1 0 567.867 6.321 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408879279 1070103112 /nfs/dbraw/zinc/10/31/12/1070103112.db2.gz DRBNRDBJEDRGOL-GIJQJNRQSA-N -1 0 592.248 6.551 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408879509 1070103176 /nfs/dbraw/zinc/10/31/76/1070103176.db2.gz GNZQKQCNSNBHHP-FYJGNVAPSA-N -1 0 719.326 5.875 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1 ZINC000408879276 1070103240 /nfs/dbraw/zinc/10/32/40/1070103240.db2.gz CSOMIOAIVCHTLA-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408879942 1070104776 /nfs/dbraw/zinc/10/47/76/1070104776.db2.gz HZHZRNDLVGCTGI-VXLYETTFSA-N -1 0 590.257 6.400 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408880602 1070106557 /nfs/dbraw/zinc/10/65/57/1070106557.db2.gz KCRINEPDTFIUTG-KEBDBYFISA-N -1 0 588.285 6.639 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408876392 1070109496 /nfs/dbraw/zinc/10/94/96/1070109496.db2.gz OWXSVBPXCVTPEQ-CIAFOILYSA-N -1 0 614.290 5.876 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000408876863 1070111076 /nfs/dbraw/zinc/11/10/76/1070111076.db2.gz QSLYHYYFBWFDKL-MOSHPQCFSA-N -1 0 523.358 5.396 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Br)c1 ZINC000408877159 1070111271 /nfs/dbraw/zinc/11/12/71/1070111271.db2.gz QJYSBMVVGVVYQO-RQZCQDPDSA-N -1 0 564.650 6.667 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408884317 1070118576 /nfs/dbraw/zinc/11/85/76/1070118576.db2.gz SZWVPKUUJUIICL-BUVRLJJBSA-N -1 0 533.422 5.722 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408885310 1070120920 /nfs/dbraw/zinc/12/09/20/1070120920.db2.gz ZDTMNXMCNWKDJC-WSDLNYQXSA-N -1 0 504.970 5.519 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408881542 1070124291 /nfs/dbraw/zinc/12/42/91/1070124291.db2.gz MUMAJBQQZZQMJM-UXHLAJHPSA-N -1 0 639.546 7.301 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408888359 1070129328 /nfs/dbraw/zinc/12/93/28/1070129328.db2.gz URHQHRZUMDYERL-WOJGMQOQSA-N -1 0 575.426 5.053 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408888206 1070129379 /nfs/dbraw/zinc/12/93/79/1070129379.db2.gz TXAWGUINKLAEAM-BUVRLJJBSA-N -1 0 532.980 5.379 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408882706 1070126750 /nfs/dbraw/zinc/12/67/50/1070126750.db2.gz RWTWHQRFGQANHZ-KGENOOAVSA-N -1 0 539.357 5.232 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408883010 1070127684 /nfs/dbraw/zinc/12/76/84/1070127684.db2.gz SOSKYXLWHAAWAI-AFUMVMLFSA-N -1 0 608.476 6.181 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408882921 1070127695 /nfs/dbraw/zinc/12/76/95/1070127695.db2.gz PNHVPEIFFOKHOD-MTJSOVHGSA-N -1 0 511.397 5.791 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408889178 1070130721 /nfs/dbraw/zinc/13/07/21/1070130721.db2.gz ANFHNPHKSQXKKD-UDWIEESQSA-N -1 0 614.411 5.691 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408889044 1070130857 /nfs/dbraw/zinc/13/08/57/1070130857.db2.gz BADZTRPYVQQCKX-DJKKODMXSA-N -1 0 573.802 5.804 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408889655 1070131644 /nfs/dbraw/zinc/13/16/44/1070131644.db2.gz INHWHFWGHZHMJG-WQRHYEAKSA-N -1 0 604.347 5.214 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000408889403 1070131711 /nfs/dbraw/zinc/13/17/11/1070131711.db2.gz GFMZPUQQBWWQSK-LDADJPATSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408890681 1070133230 /nfs/dbraw/zinc/13/32/30/1070133230.db2.gz XNVJIERKUOQMQZ-WSDLNYQXSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408890892 1070133961 /nfs/dbraw/zinc/13/39/61/1070133961.db2.gz IBMWJHZFOROSDZ-CIAFOILYSA-N -1 0 600.384 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408891531 1070135546 /nfs/dbraw/zinc/13/55/46/1070135546.db2.gz SAWQVQYJWZSTJW-VXLYETTFSA-N -1 0 647.809 5.497 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408893577 1070140295 /nfs/dbraw/zinc/14/02/95/1070140295.db2.gz BFIUZGMITJDILC-RGVLZGJSSA-N -1 0 663.827 5.166 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408894477 1070143602 /nfs/dbraw/zinc/14/36/02/1070143602.db2.gz CQYYBDRCIGXPGN-JLPGSUDCSA-N -1 0 534.996 5.773 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408895095 1070145337 /nfs/dbraw/zinc/14/53/37/1070145337.db2.gz LYPLWSHUEJBJKD-KOEQRZSOSA-N -1 0 571.427 6.246 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408896548 1070151094 /nfs/dbraw/zinc/15/10/94/1070151094.db2.gz RWFLFNZDFOOARV-SSDVNMTOSA-N -1 0 539.415 6.254 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408896657 1070151124 /nfs/dbraw/zinc/15/11/24/1070151124.db2.gz GYGVYWOCYUUOPQ-JCMHNJIXSA-N -1 0 573.860 7.071 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408895935 1070148512 /nfs/dbraw/zinc/14/85/12/1070148512.db2.gz GETDPIBMYGFUNZ-BWAHOGKJSA-N -1 0 578.643 5.007 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408892014 1070152860 /nfs/dbraw/zinc/15/28/60/1070152860.db2.gz XGASBZNCWKNMJN-YDZHTSKRSA-N -1 0 563.006 5.388 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408899278 1070156670 /nfs/dbraw/zinc/15/66/70/1070156670.db2.gz PAFIHTHLXHSBPS-RGVLZGJSSA-N -1 0 600.384 5.301 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408893529 1070156745 /nfs/dbraw/zinc/15/67/45/1070156745.db2.gz AXMMAVLOBOFQHM-RGVLZGJSSA-N -1 0 526.818 5.793 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408900055 1070160954 /nfs/dbraw/zinc/16/09/54/1070160954.db2.gz REIACYLRRSMCNC-XKZIYDEJSA-N -1 0 555.414 6.036 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408899309 1070156862 /nfs/dbraw/zinc/15/68/62/1070156862.db2.gz OHEQUNUAHKVBSO-BKUYFWCQSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408900100 1070161655 /nfs/dbraw/zinc/16/16/55/1070161655.db2.gz XABHGZHETCPIQS-MTJSOVHGSA-N -1 0 675.317 6.315 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000408899371 1070157576 /nfs/dbraw/zinc/15/75/76/1070157576.db2.gz UCGVRFBRHGRFAB-IWIPYMOSSA-N -1 0 559.391 6.295 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408899446 1070157678 /nfs/dbraw/zinc/15/76/78/1070157678.db2.gz PGTYXHOSTABTBC-UDWIEESQSA-N -1 0 575.426 5.135 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408900730 1070165064 /nfs/dbraw/zinc/16/50/64/1070165064.db2.gz UGJIPMJNLAOYHO-MOSHPQCFSA-N -1 0 592.430 5.322 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408900803 1070165151 /nfs/dbraw/zinc/16/51/51/1070165151.db2.gz VENCAUASXYPLOJ-HMAPJEAMSA-N -1 0 569.441 6.426 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408901112 1070166036 /nfs/dbraw/zinc/16/60/36/1070166036.db2.gz VSBHFWKXULZFNK-OCKHKDLRSA-N -1 0 638.729 7.362 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408897253 1070170844 /nfs/dbraw/zinc/17/08/44/1070170844.db2.gz IPEMDAJXHYLGQG-JLPGSUDCSA-N -1 0 583.866 6.527 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408897168 1070170863 /nfs/dbraw/zinc/17/08/63/1070170863.db2.gz WPSBRGZINBKOOG-FYJGNVAPSA-N -1 0 660.486 5.049 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2Br)C1=O ZINC000408901363 1070167789 /nfs/dbraw/zinc/16/77/89/1070167789.db2.gz XLWHZUZMKXUPDZ-UYRXBGFRSA-N -1 0 570.237 5.765 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408898787 1070175955 /nfs/dbraw/zinc/17/59/55/1070175955.db2.gz XOQMZEIFWYUEAR-KOEQRZSOSA-N -1 0 510.521 5.623 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408898838 1070176128 /nfs/dbraw/zinc/17/61/28/1070176128.db2.gz MVJRWVFTPPFYFE-JAIQZWGSSA-N -1 0 648.735 6.818 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408899061 1070176725 /nfs/dbraw/zinc/17/67/25/1070176725.db2.gz SIXNVJAITXLVEU-NDENLUEZSA-N -1 0 570.783 5.565 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408899078 1070176755 /nfs/dbraw/zinc/17/67/55/1070176755.db2.gz SOOQDGFTLSHVQJ-BKUYFWCQSA-N -1 0 614.290 6.164 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408898197 1070173875 /nfs/dbraw/zinc/17/38/75/1070173875.db2.gz VOZFQKFOTPXRPF-UDWIEESQSA-N -1 0 522.960 5.740 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408898323 1070174011 /nfs/dbraw/zinc/17/40/11/1070174011.db2.gz LAACRMGAPBUXPZ-HAHDFKILSA-N -1 0 569.441 6.426 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408899109 1070177428 /nfs/dbraw/zinc/17/74/28/1070177428.db2.gz ZCDMADCJPLAAJT-WSDLNYQXSA-N -1 0 520.969 5.219 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000408898364 1070174688 /nfs/dbraw/zinc/17/46/88/1070174688.db2.gz LRSSURRUJKQBCC-UQQQWYQISA-N -1 0 549.421 5.873 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408898396 1070174740 /nfs/dbraw/zinc/17/47/40/1070174740.db2.gz MAFWZOBACYXIQQ-JAIQZWGSSA-N -1 0 695.735 6.660 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408903594 1070187969 /nfs/dbraw/zinc/18/79/69/1070187969.db2.gz TZMUDQWDHRFOQV-RGVLZGJSSA-N -1 0 708.278 5.275 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408913938 1070211884 /nfs/dbraw/zinc/21/18/84/1070211884.db2.gz WCVFISRBCKTBHU-MFKUBSTISA-N -1 0 510.521 5.623 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408915046 1070215442 /nfs/dbraw/zinc/21/54/42/1070215442.db2.gz UAXHYRWFKNNYCF-QGMBQPNBSA-N -1 0 574.746 5.395 40 10 KKCBRM CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)[O-])c5)c4C)c(=O)n32)cc1 ZINC000408920930 1070227774 /nfs/dbraw/zinc/22/77/74/1070227774.db2.gz LUYPWIIPKGYJNC-FUFNRSNVSA-N -1 0 601.750 5.014 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408936474 1070276615 /nfs/dbraw/zinc/27/66/15/1070276615.db2.gz KBIFKTSAWWZEAU-PCLIKHOPSA-N -1 0 537.528 5.392 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408936456 1070276727 /nfs/dbraw/zinc/27/67/27/1070276727.db2.gz JWIYPQJNRQPPOS-ZMFRSBBQSA-N -1 0 642.322 8.125 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408936413 1070276751 /nfs/dbraw/zinc/27/67/51/1070276751.db2.gz GDRCZKDXIYFMRT-VXLYETTFSA-N -1 0 586.782 5.265 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCc3ccc(Br)cc3)c2)C1=O ZINC000408939431 1070282732 /nfs/dbraw/zinc/28/27/32/1070282732.db2.gz SMYXYHRMGPLNIL-MTJSOVHGSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408940181 1070284833 /nfs/dbraw/zinc/28/48/33/1070284833.db2.gz UNJFLPALEMFMTM-AFUMVMLFSA-N -1 0 642.322 8.125 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 ZINC000408938440 1070294808 /nfs/dbraw/zinc/29/48/08/1070294808.db2.gz QPOFCYAOJVLFSN-FYJGNVAPSA-N -1 0 506.345 5.720 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408942208 1070301959 /nfs/dbraw/zinc/30/19/59/1070301959.db2.gz YDQWADFGSHAXQU-AFUMVMLFSA-N -1 0 729.354 7.431 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000408948321 1070312923 /nfs/dbraw/zinc/31/29/23/1070312923.db2.gz FMNCCWZEEOLBLC-WKULSOCRSA-N -1 0 668.588 6.909 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408953173 1070315506 /nfs/dbraw/zinc/31/55/06/1070315506.db2.gz OYDXIMPZPXBWQA-XODNFHPESA-N -1 0 659.552 7.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000408955144 1070318992 /nfs/dbraw/zinc/31/89/92/1070318992.db2.gz SSUGNNNLWLYQAJ-STBIYBPSSA-N -1 0 502.614 6.488 40 10 KKCBRM Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1C ZINC000408972223 1070332221 /nfs/dbraw/zinc/33/22/21/1070332221.db2.gz NTRMKBBLQYFTMD-IWIPYMOSSA-N -1 0 540.062 6.519 40 10 KKCBRM COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2Cl)c1 ZINC000408972651 1070337915 /nfs/dbraw/zinc/33/79/15/1070337915.db2.gz QHJZFGJPBMNXCR-MTJSOVHGSA-N -1 0 541.387 5.435 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(I)c3)C2=O)cc1 ZINC000408982317 1070340329 /nfs/dbraw/zinc/34/03/29/1070340329.db2.gz GNAADVOUGYIBMP-JAIQZWGSSA-N -1 0 696.254 5.843 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000408982350 1070340412 /nfs/dbraw/zinc/34/04/12/1070340412.db2.gz GOZJNAGQAOQMNC-ODLFYWEKSA-N -1 0 513.352 5.940 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1Cl ZINC000408983246 1070342249 /nfs/dbraw/zinc/34/22/49/1070342249.db2.gz GPGRUJWCNAORNY-AUWJEWJLSA-N -1 0 520.712 5.790 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1Cl ZINC000408985411 1070345592 /nfs/dbraw/zinc/34/55/92/1070345592.db2.gz WTBVNABYHXSPEF-LSCVHKIXSA-N -1 0 824.578 6.708 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408985884 1070346994 /nfs/dbraw/zinc/34/69/94/1070346994.db2.gz LALGFSVPRBTLRG-NHDPSOOVSA-N -1 0 618.311 6.962 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408991435 1070358273 /nfs/dbraw/zinc/35/82/73/1070358273.db2.gz OEFWRABCZIKFAU-BUVRLJJBSA-N -1 0 649.710 6.891 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991439 1070358594 /nfs/dbraw/zinc/35/85/94/1070358594.db2.gz OFORMFMICRAEPB-OEAKJJBVSA-N -1 0 700.223 7.710 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)[N-]C2=S)c1 ZINC000408992274 1070360241 /nfs/dbraw/zinc/36/02/41/1070360241.db2.gz RCZFKHIHUKJNTG-GZTJUZNOSA-N -1 0 536.616 5.397 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000408989095 1070361870 /nfs/dbraw/zinc/36/18/70/1070361870.db2.gz GXJARCJVHRKGEU-FOWTUZBSSA-N -1 0 502.533 5.022 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408994385 1070370361 /nfs/dbraw/zinc/37/03/61/1070370361.db2.gz ZJBTUERRIAPTEG-ZDLGFXPLSA-N -1 0 594.676 6.963 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994911 1070371422 /nfs/dbraw/zinc/37/14/22/1070371422.db2.gz HUAQVIFSIZXWRY-MHWRWJLKSA-N -1 0 669.153 7.081 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1 ZINC000409027082 1070411046 /nfs/dbraw/zinc/41/10/46/1070411046.db2.gz XCQXMKQSWWJMHF-UDWIEESQSA-N -1 0 586.236 5.466 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1 ZINC000409039663 1070431255 /nfs/dbraw/zinc/43/12/55/1070431255.db2.gz CVFOGUJZYXQFLT-CIAFOILYSA-N -1 0 529.351 5.777 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409046684 1070441583 /nfs/dbraw/zinc/44/15/83/1070441583.db2.gz LKJNSYIJJZKUNK-QGMBQPNBSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409046697 1070442419 /nfs/dbraw/zinc/44/24/19/1070442419.db2.gz LHAXHYAFFYGWDM-CAOOACKPSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409041584 1070445295 /nfs/dbraw/zinc/44/52/95/1070445295.db2.gz KBIGTMBZWDWJPC-REZTVBANSA-N -1 0 581.195 6.454 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1 ZINC000409044826 1070452251 /nfs/dbraw/zinc/45/22/51/1070452251.db2.gz DNHACDUSUQCWDY-CIAFOILYSA-N -1 0 529.351 5.777 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409044934 1070452367 /nfs/dbraw/zinc/45/23/67/1070452367.db2.gz DLSSAQFOMLDCCA-RQZCQDPDSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409058770 1070471415 /nfs/dbraw/zinc/47/14/15/1070471415.db2.gz SWSSXFJRKNMYIM-DJKKODMXSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087413 1070520602 /nfs/dbraw/zinc/52/06/02/1070520602.db2.gz YPVWKRKRNSYMJR-XNTDXEJSSA-N -1 0 543.275 5.269 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088709 1070522258 /nfs/dbraw/zinc/52/22/58/1070522258.db2.gz XNGDGSCMIMWZPL-LZYBPNLTSA-N -1 0 606.853 5.643 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089021 1070522787 /nfs/dbraw/zinc/52/27/87/1070522787.db2.gz IDYGKOYLLLTDFB-LICLKQGHSA-N -1 0 610.726 6.488 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409101123 1070533829 /nfs/dbraw/zinc/53/38/29/1070533829.db2.gz VNTOBEHZOQPPHR-YBEGLDIGSA-N -1 0 503.363 5.102 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409124417 1070552108 /nfs/dbraw/zinc/55/21/08/1070552108.db2.gz HMZVUFLRLZHZEJ-LPYMAVHISA-N -1 0 692.788 6.903 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)c(Cl)c1 ZINC000409143783 1070571510 /nfs/dbraw/zinc/57/15/10/1070571510.db2.gz HUOVEUKZUFKDFH-XQNSMLJCSA-N -1 0 525.051 5.652 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)C2=O)cc1OC ZINC000409142796 1070570515 /nfs/dbraw/zinc/57/05/15/1070570515.db2.gz BIJQJQNZNNQBMK-ZXVVBBHZSA-N -1 0 550.611 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1OC ZINC000409142960 1070570613 /nfs/dbraw/zinc/57/06/13/1070570613.db2.gz MGAVBSKIGFPWAD-XQNSMLJCSA-N -1 0 534.996 5.378 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409162035 1070580957 /nfs/dbraw/zinc/58/09/57/1070580957.db2.gz QMHOMSOOLVVBFM-LPYMAVHISA-N -1 0 506.400 5.135 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167275 1070585331 /nfs/dbraw/zinc/58/53/31/1070585331.db2.gz ICCGQMGFLZYVFS-UAVUOLJFSA-N -1 0 575.286 7.868 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409188443 1070596830 /nfs/dbraw/zinc/59/68/30/1070596830.db2.gz ZFTLDDMPBWHHNB-LICLKQGHSA-N -1 0 641.168 6.929 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409187737 1070596999 /nfs/dbraw/zinc/59/69/99/1070596999.db2.gz AZUHUSUYUHURFF-LPYMAVHISA-N -1 0 597.039 5.916 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190387 1070607770 /nfs/dbraw/zinc/60/77/70/1070607770.db2.gz YAZACENKJQRDFN-OEAKJJBVSA-N -1 0 643.114 5.274 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1C ZINC000409198780 1070620287 /nfs/dbraw/zinc/62/02/87/1070620287.db2.gz FHZXLYKGWXOOQC-YBFXNURJSA-N -1 0 570.465 5.296 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409225997 1070643784 /nfs/dbraw/zinc/64/37/84/1070643784.db2.gz RDGAMMOXNSAUKY-GIJQJNRQSA-N -1 0 589.775 5.239 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409220291 1070647142 /nfs/dbraw/zinc/64/71/42/1070647142.db2.gz WINCGCVXESQHKZ-UDWIEESQSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409220874 1070647770 /nfs/dbraw/zinc/64/77/70/1070647770.db2.gz HEOXDLMBOWYEBO-DHRITJCHSA-N -1 0 561.425 6.041 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)[N-]C2=S)cc1Cl ZINC000409230227 1070656243 /nfs/dbraw/zinc/65/62/43/1070656243.db2.gz XPQPHOWRSCTCMY-GZTJUZNOSA-N -1 0 505.473 6.346 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409233640 1070659195 /nfs/dbraw/zinc/65/91/95/1070659195.db2.gz LMFIXFUOAXWTTP-WSDLNYQXSA-N -1 0 550.518 5.448 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409250427 1070667135 /nfs/dbraw/zinc/66/71/35/1070667135.db2.gz LNGYLZKZYVBKTJ-ODLFYWEKSA-N -1 0 633.680 5.549 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409244215 1070672041 /nfs/dbraw/zinc/67/20/41/1070672041.db2.gz ZQRDBHSBCSKIND-GIJQJNRQSA-N -1 0 521.923 5.737 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409249746 1070666331 /nfs/dbraw/zinc/66/63/31/1070666331.db2.gz OHWAUPACJBUBBB-OVVQPSECSA-N -1 0 521.642 5.813 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)C1=O ZINC000409255137 1070673969 /nfs/dbraw/zinc/67/39/69/1070673969.db2.gz ZFRXJLKESWBOJL-WOJGMQOQSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409252150 1070683327 /nfs/dbraw/zinc/68/33/27/1070683327.db2.gz CDGLXKZOSNKHBS-GIJQJNRQSA-N -1 0 647.707 5.857 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409267007 1070691347 /nfs/dbraw/zinc/69/13/47/1070691347.db2.gz ZYSHLUSBSRBASQ-PKAZHMFMSA-N -1 0 610.066 6.220 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000409267155 1070691695 /nfs/dbraw/zinc/69/16/95/1070691695.db2.gz SRJNWLQIOCFMML-KEBDBYFISA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000409267593 1070692714 /nfs/dbraw/zinc/69/27/14/1070692714.db2.gz OJRLIKBRSVJCFQ-HZHRSRAPSA-N -1 0 547.995 5.039 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409261977 1070698452 /nfs/dbraw/zinc/69/84/52/1070698452.db2.gz FSROTOPIHTUJBX-RGVLZGJSSA-N -1 0 626.891 5.802 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409263065 1070699288 /nfs/dbraw/zinc/69/92/88/1070699288.db2.gz GSYLBVJTBCOQIG-VXLYETTFSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)C1=O ZINC000409273049 1070711485 /nfs/dbraw/zinc/71/14/85/1070711485.db2.gz UZWPRTYTSBPRRE-VXLYETTFSA-N -1 0 647.707 5.857 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409270426 1070705841 /nfs/dbraw/zinc/70/58/41/1070705841.db2.gz FVEUAOKLCRIYAT-XYGWBWBKSA-N -1 0 660.510 6.655 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)ccc1Cl ZINC000409275332 1070718773 /nfs/dbraw/zinc/71/87/73/1070718773.db2.gz ILNFOCMMWIPOSD-DJKKODMXSA-N -1 0 518.881 5.251 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408881111 1070784071 /nfs/dbraw/zinc/78/40/71/1070784071.db2.gz JLIWQOIFRXDWPK-PCLIKHOPSA-N -1 0 601.428 6.413 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408881317 1070784142 /nfs/dbraw/zinc/78/41/42/1070784142.db2.gz KRLDLTREVVNLTN-ITYLOYPMSA-N -1 0 520.585 6.046 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408879719 1070792426 /nfs/dbraw/zinc/79/24/26/1070792426.db2.gz FBHLLGGSZMSBGB-HYARGMPZSA-N -1 0 537.841 6.285 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408880245 1070788746 /nfs/dbraw/zinc/78/87/46/1070788746.db2.gz GUIQFEBLOVWYHE-YBFXNURJSA-N -1 0 527.379 6.097 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408880436 1070788936 /nfs/dbraw/zinc/78/89/36/1070788936.db2.gz HTUGDHPYXDYHSM-LPYMAVHISA-N -1 0 504.970 5.601 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408880325 1070789451 /nfs/dbraw/zinc/78/94/51/1070789451.db2.gz HLHAEQAOFHREPJ-NLRVBDNBSA-N -1 0 555.428 6.258 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408880082 1070790199 /nfs/dbraw/zinc/79/01/99/1070790199.db2.gz GZIJLKBZEALGSU-KGENOOAVSA-N -1 0 600.263 5.856 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Br)c3)C2=O)c1 ZINC000408880695 1070787163 /nfs/dbraw/zinc/78/71/63/1070787163.db2.gz ICLZQSQAWPGPTA-UDWIEESQSA-N -1 0 554.238 5.777 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408879550 1070793145 /nfs/dbraw/zinc/79/31/45/1070793145.db2.gz FELFEYMCKBZTFR-UDWIEESQSA-N -1 0 632.838 5.597 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408878806 1070798204 /nfs/dbraw/zinc/79/82/04/1070798204.db2.gz BWENXJJODPVYGF-DJKKODMXSA-N -1 0 574.258 6.330 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408878297 1070801649 /nfs/dbraw/zinc/80/16/49/1070801649.db2.gz ZUDSSOXJPACLLO-YDZHTSKRSA-N -1 0 580.422 5.482 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408877470 1070807508 /nfs/dbraw/zinc/80/75/08/1070807508.db2.gz VGLBQYIEKBZSQC-WOJGMQOQSA-N -1 0 543.776 5.507 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408889083 1070810636 /nfs/dbraw/zinc/81/06/36/1070810636.db2.gz DLXMLPAFXVVYOC-DEDYPNTBSA-N -1 0 614.246 5.244 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408888064 1070817660 /nfs/dbraw/zinc/81/76/60/1070817660.db2.gz SEUZTWBDXIFHGN-FSJBWODESA-N -1 0 518.997 5.828 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408888565 1070813042 /nfs/dbraw/zinc/81/30/42/1070813042.db2.gz XENXEYFJFVYRSU-LICLKQGHSA-N -1 0 606.775 5.338 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408887966 1070817128 /nfs/dbraw/zinc/81/71/28/1070817128.db2.gz VOIFUXQWGUFLFP-DEDYPNTBSA-N -1 0 521.367 5.012 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408887729 1070818878 /nfs/dbraw/zinc/81/88/78/1070818878.db2.gz SSZAJHDOVLBCKH-FYJGNVAPSA-N -1 0 599.865 6.145 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408887372 1070819838 /nfs/dbraw/zinc/81/98/38/1070819838.db2.gz QFJSEJBVPDAYIS-UDWIEESQSA-N -1 0 569.397 5.424 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1 ZINC000408896666 1070830756 /nfs/dbraw/zinc/83/07/56/1070830756.db2.gz HBHBQAWFCNFAPP-USHMODERSA-N -1 0 565.582 6.172 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)ccc1Br ZINC000408896683 1070831512 /nfs/dbraw/zinc/83/15/12/1070831512.db2.gz HIBAPQYGTNJLIC-IWIPYMOSSA-N -1 0 589.873 7.118 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408896449 1070831788 /nfs/dbraw/zinc/83/17/88/1070831788.db2.gz RFGIEJMNFVRWDH-PXLXIMEGSA-N -1 0 581.433 5.889 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409333577 1070839177 /nfs/dbraw/zinc/83/91/77/1070839177.db2.gz HXXFUQDUIZOGTG-HWNCECLZSA-N -1 0 598.681 5.327 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O ZINC000408895907 1070839510 /nfs/dbraw/zinc/83/95/10/1070839510.db2.gz IYIVINSHGZOXCY-NVMNQCDNSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)cc2Br)c1 ZINC000408895905 1070839860 /nfs/dbraw/zinc/83/98/60/1070839860.db2.gz MERSLDDUJGONFX-UNOMPAQXSA-N -1 0 523.358 5.450 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408895250 1070847121 /nfs/dbraw/zinc/84/71/21/1070847121.db2.gz DEEOSBVJXFIHAH-XKZIYDEJSA-N -1 0 604.284 6.790 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408895313 1070847952 /nfs/dbraw/zinc/84/79/52/1070847952.db2.gz FAEWGDNXYMMXCF-JLPGSUDCSA-N -1 0 549.421 5.792 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)ccc1Br ZINC000408895182 1070848939 /nfs/dbraw/zinc/84/89/39/1070848939.db2.gz CTYGSOLRQIYCCZ-WQRHYEAKSA-N -1 0 543.776 5.795 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408895124 1070849027 /nfs/dbraw/zinc/84/90/27/1070849027.db2.gz TWHGTGPFXOWEEQ-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408894410 1070855255 /nfs/dbraw/zinc/85/52/55/1070855255.db2.gz CJBFBWWMFANUPB-JLPGSUDCSA-N -1 0 545.548 5.028 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000408894458 1070855349 /nfs/dbraw/zinc/85/53/49/1070855349.db2.gz COICOVXFIVCGMN-HAHDFKILSA-N -1 0 549.967 5.673 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408894465 1070855997 /nfs/dbraw/zinc/85/59/97/1070855997.db2.gz CPCIFJAQCVMEFY-DIBXZPPDSA-N -1 0 520.585 6.182 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409338156 1070860911 /nfs/dbraw/zinc/86/09/11/1070860911.db2.gz DZTAQDUELVFWBA-XDHOZWIPSA-N -1 0 561.504 5.644 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408893396 1070864557 /nfs/dbraw/zinc/86/45/57/1070864557.db2.gz ABPASSWSUIWUMN-OYKKKHCWSA-N -1 0 633.926 7.517 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)c1 ZINC000408892360 1070871526 /nfs/dbraw/zinc/87/15/26/1070871526.db2.gz YVEPUYFPBXOVNU-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408893420 1070864860 /nfs/dbraw/zinc/86/48/60/1070864860.db2.gz AJFVZRGDAXGROA-USHMODERSA-N -1 0 538.575 6.403 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408893230 1070866095 /nfs/dbraw/zinc/86/60/95/1070866095.db2.gz DCUGFPPGDVTLMZ-FYJGNVAPSA-N -1 0 555.414 6.036 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408893442 1070866306 /nfs/dbraw/zinc/86/63/06/1070866306.db2.gz AORQJEKPCHCHKE-IWIPYMOSSA-N -1 0 549.023 6.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Br ZINC000408892676 1070870899 /nfs/dbraw/zinc/87/08/99/1070870899.db2.gz DKJXJFPFCABUIX-YBFXNURJSA-N -1 0 590.655 6.110 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1Cl ZINC000408892086 1070873960 /nfs/dbraw/zinc/87/39/60/1070873960.db2.gz AWYWIJIZHKHYEX-BUVRLJJBSA-N -1 0 514.940 6.186 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408891801 1070875236 /nfs/dbraw/zinc/87/52/36/1070875236.db2.gz VPSWTWAVICIRGJ-RQZCQDPDSA-N -1 0 595.844 5.398 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891637 1070876296 /nfs/dbraw/zinc/87/62/96/1070876296.db2.gz UFLHGFOMMITVDF-SRZZPIQSSA-N -1 0 551.393 5.026 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408891643 1070876927 /nfs/dbraw/zinc/87/69/27/1070876927.db2.gz UGHASFHEURDJJC-GIJQJNRQSA-N -1 0 531.779 5.901 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891433 1070879407 /nfs/dbraw/zinc/87/94/07/1070879407.db2.gz QLKQKKWTHSCHSL-UDWIEESQSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408891171 1070879499 /nfs/dbraw/zinc/87/94/99/1070879499.db2.gz MMXBCNUVPWXJNC-UDWIEESQSA-N -1 0 660.848 5.375 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)C1=O ZINC000408890668 1070882515 /nfs/dbraw/zinc/88/25/15/1070882515.db2.gz XIXQXNIRSAWNBA-YBFXNURJSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1Br ZINC000408889270 1070889500 /nfs/dbraw/zinc/88/95/00/1070889500.db2.gz BYJQCRVYUVIEJD-YBFXNURJSA-N -1 0 555.812 5.665 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408889111 1070889829 /nfs/dbraw/zinc/88/98/29/1070889829.db2.gz DRSNRUBIKAMFOL-WSDLNYQXSA-N -1 0 550.365 5.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408889824 1070887202 /nfs/dbraw/zinc/88/72/02/1070887202.db2.gz JNIATWYRISVTLR-LICLKQGHSA-N -1 0 634.708 6.427 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409375909 1070889288 /nfs/dbraw/zinc/88/92/88/1070889288.db2.gz QSBZHVDRMOXIIR-CIAFOILYSA-N -1 0 643.459 5.181 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[N-]C2=S)cc1 ZINC000409381865 1070898923 /nfs/dbraw/zinc/89/89/23/1070898923.db2.gz OIFHKMZRGNFDEZ-PDGQHHTCSA-N -1 0 526.368 5.011 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000408897275 1070891250 /nfs/dbraw/zinc/89/12/50/1070891250.db2.gz IRUYYAHLRCLKSA-KQWNVCNZSA-N -1 0 569.035 5.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409385288 1070902483 /nfs/dbraw/zinc/90/24/83/1070902483.db2.gz HJLKPLLKFYVLBE-LPYMAVHISA-N -1 0 626.504 5.398 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4Cl)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409385652 1070903292 /nfs/dbraw/zinc/90/32/92/1070903292.db2.gz IUGUSZFFGMNHJI-UDWIEESQSA-N -1 0 585.907 6.084 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408903382 1070904834 /nfs/dbraw/zinc/90/48/34/1070904834.db2.gz SGAHBMCUIVVSBJ-UDWIEESQSA-N -1 0 643.288 5.294 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408903256 1070906069 /nfs/dbraw/zinc/90/60/69/1070906069.db2.gz WLKBUKLAHHAIDV-HYARGMPZSA-N -1 0 570.486 6.531 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408903056 1070906827 /nfs/dbraw/zinc/90/68/27/1070906827.db2.gz UEZAOUGCXIRPET-WSDLNYQXSA-N -1 0 556.459 6.141 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408902898 1070907934 /nfs/dbraw/zinc/90/79/34/1070907934.db2.gz NFSDCCQZQXVJSL-RGVLZGJSSA-N -1 0 690.288 5.055 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000408902283 1070912501 /nfs/dbraw/zinc/91/25/01/1070912501.db2.gz GXMBIXJBUDNIRO-YBFXNURJSA-N -1 0 528.790 5.185 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000409398425 1070912704 /nfs/dbraw/zinc/91/27/04/1070912704.db2.gz ATDQQMJCCBSRSX-IUXPMGMMSA-N -1 0 518.740 5.595 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Br)cc2Br)c(Br)c1 ZINC000409399450 1070913221 /nfs/dbraw/zinc/91/32/21/1070913221.db2.gz IRONLTIFICOEEA-IUXPMGMMSA-N -1 0 685.992 6.777 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1cccc(F)c1 ZINC000409399528 1070913486 /nfs/dbraw/zinc/91/34/86/1070913486.db2.gz JIDYYBBCJUBCDI-ODLFYWEKSA-N -1 0 588.817 5.119 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc2ccccc21 ZINC000409399655 1070914118 /nfs/dbraw/zinc/91/41/18/1070914118.db2.gz LKNJTOLWCINTQK-IWIPYMOSSA-N -1 0 509.518 5.187 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409401373 1070916484 /nfs/dbraw/zinc/91/64/84/1070916484.db2.gz XLACFTPZFHLKCI-ODLFYWEKSA-N -1 0 542.227 5.560 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C ZINC000408901680 1070916674 /nfs/dbraw/zinc/91/66/74/1070916674.db2.gz ZNZSIQSOJTVXPT-QQXSKIMKSA-N -1 0 569.455 6.773 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408901709 1070917369 /nfs/dbraw/zinc/91/73/69/1070917369.db2.gz ARGMNOIODMBCLQ-UDWIEESQSA-N -1 0 643.288 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408901519 1070917944 /nfs/dbraw/zinc/91/79/44/1070917944.db2.gz YLHJKSUCLBTPBJ-PKAZHMFMSA-N -1 0 643.534 7.344 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409408369 1070926332 /nfs/dbraw/zinc/92/63/32/1070926332.db2.gz QDRLFMAQBUWLHQ-NDENLUEZSA-N -1 0 527.802 5.542 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408900965 1070926540 /nfs/dbraw/zinc/92/65/40/1070926540.db2.gz ARXSTLLBLDFCGQ-UDWIEESQSA-N -1 0 560.878 6.786 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408900807 1070927332 /nfs/dbraw/zinc/92/73/32/1070927332.db2.gz VFICSILEQKBFSJ-IMRQLAEWSA-N -1 0 613.508 7.335 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408900494 1070930701 /nfs/dbraw/zinc/93/07/01/1070930701.db2.gz TUICKLNTAIEUFM-HAHDFKILSA-N -1 0 583.866 6.527 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408900513 1070930722 /nfs/dbraw/zinc/93/07/22/1070930722.db2.gz TZMIJPNFRRQAEL-ZDLGFXPLSA-N -1 0 681.708 6.270 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O ZINC000408900471 1070934499 /nfs/dbraw/zinc/93/44/99/1070934499.db2.gz YPQFIRWGMFZCOF-IWIPYMOSSA-N -1 0 575.846 6.810 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408900213 1070935230 /nfs/dbraw/zinc/93/52/30/1070935230.db2.gz XMLQQVGFUKUVEI-UUYOSTAYSA-N -1 0 597.893 6.672 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1Br ZINC000408900240 1070936013 /nfs/dbraw/zinc/93/60/13/1070936013.db2.gz UINPKGGRZZWJOT-DEDYPNTBSA-N -1 0 535.394 5.320 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900052 1070936499 /nfs/dbraw/zinc/93/64/99/1070936499.db2.gz RECSDAVLFZZIQK-IWIPYMOSSA-N -1 0 640.474 6.033 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408900110 1070937270 /nfs/dbraw/zinc/93/72/70/1070937270.db2.gz ROMAGDKAMFYSNF-KQWNVCNZSA-N -1 0 613.486 5.371 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408899583 1070944238 /nfs/dbraw/zinc/94/42/38/1070944238.db2.gz PIJINBDTKNKNLX-XYGWBWBKSA-N -1 0 654.501 6.423 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc32)C1=O ZINC000408899594 1070944277 /nfs/dbraw/zinc/94/42/77/1070944277.db2.gz VASFENKBUGLFMJ-HMAPJEAMSA-N -1 0 610.291 7.463 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408899789 1070940908 /nfs/dbraw/zinc/94/09/08/1070940908.db2.gz VVVKOWZHMWMTLG-UCQKPKSFSA-N -1 0 563.448 6.018 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408899785 1070940997 /nfs/dbraw/zinc/94/09/97/1070940997.db2.gz QHLIFEJXWMJUDF-XYGWBWBKSA-N -1 0 545.548 5.028 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408899794 1070941725 /nfs/dbraw/zinc/94/17/25/1070941725.db2.gz QJSNFUPRNIVVGA-BKUYFWCQSA-N -1 0 630.410 5.473 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408899257 1070947885 /nfs/dbraw/zinc/94/78/85/1070947885.db2.gz ORTSOIQEDCXZIC-YBFXNURJSA-N -1 0 616.839 5.815 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408899312 1070948700 /nfs/dbraw/zinc/94/87/00/1070948700.db2.gz OHUJTJJXMPSPTK-ONUIUJJFSA-N -1 0 575.448 7.181 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408898961 1070951560 /nfs/dbraw/zinc/95/15/60/1070951560.db2.gz YRENSCWQDWSHHC-VXLYETTFSA-N -1 0 529.351 5.777 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)ccc1Br ZINC000408898774 1070952886 /nfs/dbraw/zinc/95/28/86/1070952886.db2.gz MNNZWKGVOGXOTG-MFOYZWKCSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OC(C)C ZINC000408898875 1070953421 /nfs/dbraw/zinc/95/34/21/1070953421.db2.gz MZSZJEDFTOAJEU-SXGWCWSVSA-N -1 0 521.795 5.263 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O ZINC000408898617 1070954099 /nfs/dbraw/zinc/95/40/99/1070954099.db2.gz QINCALDVMVLAQR-NDENLUEZSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408898276 1070960140 /nfs/dbraw/zinc/96/01/40/1070960140.db2.gz PSNBZKDYEORTCJ-ODLFYWEKSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408898283 1070960168 /nfs/dbraw/zinc/96/01/68/1070960168.db2.gz PVVXCTUXMAGRKA-JAIQZWGSSA-N -1 0 648.735 6.818 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898024 1070960810 /nfs/dbraw/zinc/96/08/10/1070960810.db2.gz KPPVFXNNUSRGKL-UCQKPKSFSA-N -1 0 597.437 6.021 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408898064 1070960978 /nfs/dbraw/zinc/96/09/78/1070960978.db2.gz KBUCYCJTTWFWET-LICLKQGHSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408897897 1070962239 /nfs/dbraw/zinc/96/22/39/1070962239.db2.gz JLYLRRRJESFFOV-UUYOSTAYSA-N -1 0 642.344 6.781 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408897880 1070962276 /nfs/dbraw/zinc/96/22/76/1070962276.db2.gz JKQBCLYMKDCAFT-UQQQWYQISA-N -1 0 549.023 6.163 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408897926 1070962290 /nfs/dbraw/zinc/96/22/90/1070962290.db2.gz JPDPYMZDXBMXMD-JCMHNJIXSA-N -1 0 535.394 5.483 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)C1=O ZINC000408897941 1070962940 /nfs/dbraw/zinc/96/29/40/1070962940.db2.gz JSZYCQSQUWLYDF-UYRXBGFRSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1 ZINC000408897319 1070967752 /nfs/dbraw/zinc/96/77/52/1070967752.db2.gz IVVHWZUMJHTLFC-BRPDVVIDSA-N -1 0 520.585 6.264 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408897369 1070968277 /nfs/dbraw/zinc/96/82/77/1070968277.db2.gz JASYRPMJSKKCQP-ULJHMMPZSA-N -1 0 569.035 5.261 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2Br)cc1 ZINC000408909611 1070975327 /nfs/dbraw/zinc/97/53/27/1070975327.db2.gz HMNUJPINQRLMJG-LICLKQGHSA-N -1 0 578.307 6.096 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000408917114 1070994850 /nfs/dbraw/zinc/99/48/50/1070994850.db2.gz MXXOIXBLOFGWSH-BKUYFWCQSA-N -1 0 525.399 5.307 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408914958 1071009827 /nfs/dbraw/zinc/00/98/27/1071009827.db2.gz SHIGQJDBTSBVQL-UFWORHAWSA-N -1 0 655.247 6.381 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408913154 1071019665 /nfs/dbraw/zinc/01/96/65/1071019665.db2.gz LIAMYOKHCWUVEV-QGMBQPNBSA-N -1 0 519.743 6.031 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2Br)cc1 ZINC000408912494 1071022586 /nfs/dbraw/zinc/02/25/86/1071022586.db2.gz HEXNHWFIRYWQCQ-DJKKODMXSA-N -1 0 588.227 5.905 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408911924 1071058233 /nfs/dbraw/zinc/05/82/33/1071058233.db2.gz OZKUNWYTYZNBOK-OEAKJJBVSA-N -1 0 532.369 5.566 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408918105 1071139668 /nfs/dbraw/zinc/13/96/68/1071139668.db2.gz GEHJEFJNHINNBC-IWIPYMOSSA-N -1 0 500.526 5.528 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c1 ZINC000408929096 1071177449 /nfs/dbraw/zinc/17/74/49/1071177449.db2.gz GXRQBWOEWWOSNB-VCHYOVAHSA-N -1 0 501.720 5.154 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000408937228 1071203219 /nfs/dbraw/zinc/20/32/19/1071203219.db2.gz IMSWSIHAQUDQMQ-BUVRLJJBSA-N -1 0 527.920 5.647 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc2ccccc2n1Cc1ccccc1F ZINC000408935990 1071215988 /nfs/dbraw/zinc/21/59/88/1071215988.db2.gz JKAZGRCAYHAKQU-OVVQPSECSA-N -1 0 580.015 6.728 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408936025 1071216700 /nfs/dbraw/zinc/21/67/00/1071216700.db2.gz JQDRIHBVCXZZQC-MFKUBSTISA-N -1 0 758.974 6.275 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000408935098 1071225457 /nfs/dbraw/zinc/22/54/57/1071225457.db2.gz GQRJHPDBDOJVMJ-WOJGMQOQSA-N -1 0 535.305 6.258 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408935086 1071229206 /nfs/dbraw/zinc/22/92/06/1071229206.db2.gz GMKJTGIZOVKAOD-ZVHZXABRSA-N -1 0 682.354 7.589 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 ZINC000408933558 1071240670 /nfs/dbraw/zinc/24/06/70/1071240670.db2.gz ATYKUXDHKQGUGM-OGLMXYFKSA-N -1 0 645.937 7.544 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408947231 1071263214 /nfs/dbraw/zinc/26/32/14/1071263214.db2.gz BHSLGICEJRXYDO-KBVAKVRCSA-N -1 0 562.714 6.294 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1O ZINC000408947218 1071262419 /nfs/dbraw/zinc/26/24/19/1071262419.db2.gz BGVMODOQMATUHO-ZVBGSRNCSA-N -1 0 551.437 5.298 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408946157 1071272908 /nfs/dbraw/zinc/27/29/08/1071272908.db2.gz YHTOFSSQZMHHFH-RGVLZGJSSA-N -1 0 645.260 5.764 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1 ZINC000408942311 1071300462 /nfs/dbraw/zinc/30/04/62/1071300462.db2.gz ZBKYBMIFQHFBHJ-HAHDFKILSA-N -1 0 521.367 5.093 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1 ZINC000408941611 1071307238 /nfs/dbraw/zinc/30/72/38/1071307238.db2.gz XILBQWMWQBRAAN-USHMODERSA-N -1 0 568.607 5.008 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408940036 1071320446 /nfs/dbraw/zinc/32/04/46/1071320446.db2.gz NKWFMZBRLGGMKL-YDZHTSKRSA-N -1 0 602.397 5.765 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000408940089 1071318434 /nfs/dbraw/zinc/31/84/34/1071318434.db2.gz UCNWJKCTWZQVQH-ODLFYWEKSA-N -1 0 518.850 5.743 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408940170 1071319350 /nfs/dbraw/zinc/31/93/50/1071319350.db2.gz UMAKXVOWQZAZPZ-JFLMPSFJSA-N -1 0 675.963 7.552 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1O ZINC000408939363 1071323483 /nfs/dbraw/zinc/32/34/83/1071323483.db2.gz RWNKRUMMPBUDTL-VXLYETTFSA-N -1 0 557.784 5.062 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F ZINC000408938688 1071329299 /nfs/dbraw/zinc/32/92/99/1071329299.db2.gz RDZKVGVAFLFHIY-YVLHZVERSA-N -1 0 553.295 6.397 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408951832 1071348800 /nfs/dbraw/zinc/34/88/00/1071348800.db2.gz MSMBRDUKQLZGNR-QDTIIGTASA-N -1 0 723.007 7.666 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408952335 1071345276 /nfs/dbraw/zinc/34/52/76/1071345276.db2.gz NJKDVIIILZREHU-GIJQJNRQSA-N -1 0 555.370 5.366 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000408952427 1071345668 /nfs/dbraw/zinc/34/56/68/1071345668.db2.gz NTPQMPHETWZCRT-MUFRIFMGSA-N -1 0 550.630 6.539 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408951713 1071350095 /nfs/dbraw/zinc/35/00/95/1071350095.db2.gz MLZBNJPNESEXKL-CCVNUDIWSA-N -1 0 673.579 7.700 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408949410 1071360592 /nfs/dbraw/zinc/36/05/92/1071360592.db2.gz IACCWKPBAOBKBH-IPPBACCNSA-N -1 0 781.485 8.166 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408949487 1071360639 /nfs/dbraw/zinc/36/06/39/1071360639.db2.gz IEKWUZVQWZDWSD-MZJWZYIUSA-N -1 0 631.607 7.540 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408948432 1071365793 /nfs/dbraw/zinc/36/57/93/1071365793.db2.gz GEBRFCWOIIIFIJ-XODNFHPESA-N -1 0 749.577 6.591 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408948446 1071365919 /nfs/dbraw/zinc/36/59/19/1071365919.db2.gz GGHUQRQOBXMVHA-FJEPWZHXSA-N -1 0 668.190 7.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408948791 1071364393 /nfs/dbraw/zinc/36/43/93/1071364393.db2.gz GVYWUNFUNOHDHP-RPPGKUMJSA-N -1 0 635.975 8.360 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408947875 1071368719 /nfs/dbraw/zinc/36/87/19/1071368719.db2.gz DIXTZRCUDJUDTO-AFUMVMLFSA-N -1 0 515.525 5.238 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408947581 1071370347 /nfs/dbraw/zinc/37/03/47/1071370347.db2.gz CNVIROGESAIAFR-CNHKJKLMSA-N -1 0 681.266 5.971 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000408956977 1071374727 /nfs/dbraw/zinc/37/47/27/1071374727.db2.gz ZLASHULKLLFPQB-WCMJOSRZSA-N -1 0 561.726 7.154 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408956736 1071375235 /nfs/dbraw/zinc/37/52/35/1071375235.db2.gz YGFJRIJHNALKET-IPPBACCNSA-N -1 0 598.541 6.991 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000408955851 1071381395 /nfs/dbraw/zinc/38/13/95/1071381395.db2.gz UVKSAUCKRMBTGN-JFLMPSFJSA-N -1 0 507.590 5.317 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408955823 1071381905 /nfs/dbraw/zinc/38/19/05/1071381905.db2.gz UTAMZYPBLLAVAI-CAOOACKPSA-N -1 0 585.794 5.085 40 10 KKCBRM CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408955895 1071382038 /nfs/dbraw/zinc/38/20/38/1071382038.db2.gz VBYCNMDFOYPPRU-AUEPDCJTSA-N -1 0 641.946 6.179 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)c(Br)c1 ZINC000408956506 1071378100 /nfs/dbraw/zinc/37/81/00/1071378100.db2.gz XRKWYKQNWHPCDU-WGARJPEWSA-N -1 0 585.498 7.152 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000408956483 1071378176 /nfs/dbraw/zinc/37/81/76/1071378176.db2.gz XJUNMVIHBBLJLB-WGARJPEWSA-N -1 0 571.471 6.843 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408695417 1071384334 /nfs/dbraw/zinc/38/43/34/1071384334.db2.gz UKYOGYIPFRRZLC-HYARGMPZSA-N -1 0 509.389 6.130 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408955283 1071384928 /nfs/dbraw/zinc/38/49/28/1071384928.db2.gz UCBILQWSKFBLLV-KBKYJPHKSA-N -1 0 710.452 8.478 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408695056 1071385833 /nfs/dbraw/zinc/38/58/33/1071385833.db2.gz OTPXFJFTOWWWKE-UDWIEESQSA-N -1 0 527.415 5.140 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408955139 1071387109 /nfs/dbraw/zinc/38/71/09/1071387109.db2.gz SSCFAZIBKQBEPB-IPPBACCNSA-N -1 0 645.583 8.105 40 10 KKCBRM CCOC(=O)COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408955224 1071387126 /nfs/dbraw/zinc/38/71/26/1071387126.db2.gz UAVGGEDAFHDNJX-BRJLIKDPSA-N -1 0 698.554 5.766 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408694225 1071388322 /nfs/dbraw/zinc/38/83/22/1071388322.db2.gz GJHDNRJBGHEOBY-LDADJPATSA-N -1 0 503.780 5.086 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408692706 1071394264 /nfs/dbraw/zinc/39/42/64/1071394264.db2.gz SMXFZYMABXXUDN-YBFXNURJSA-N -1 0 547.833 5.485 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408953929 1071392662 /nfs/dbraw/zinc/39/26/62/1071392662.db2.gz QOJMNHHWKZQTOI-XODNFHPESA-N -1 0 720.458 7.933 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408692864 1071393330 /nfs/dbraw/zinc/39/33/30/1071393330.db2.gz XFBOKSAUSGGNQN-WOJGMQOQSA-N -1 0 503.382 5.376 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408692753 1071393380 /nfs/dbraw/zinc/39/33/80/1071393380.db2.gz UJVPZCOYWOOUHM-YBFXNURJSA-N -1 0 503.382 5.376 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408692814 1071393464 /nfs/dbraw/zinc/39/34/64/1071393464.db2.gz WBKOMAIXTBRDBW-HYARGMPZSA-N -1 0 566.395 5.428 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OC(C)C ZINC000408953871 1071394568 /nfs/dbraw/zinc/39/45/68/1071394568.db2.gz QGOXTAROLQZXCA-BRJLIKDPSA-N -1 0 654.545 6.611 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000408692717 1071393806 /nfs/dbraw/zinc/39/38/06/1071393806.db2.gz STWURGDNODFTIH-WOJGMQOQSA-N -1 0 595.231 5.037 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408954032 1071393877 /nfs/dbraw/zinc/39/38/77/1071393877.db2.gz QYYMASXFOLHBNC-UBKPWBPPSA-N -1 0 620.239 5.739 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408692709 1071393959 /nfs/dbraw/zinc/39/39/59/1071393959.db2.gz SOUNODNOLMLFGJ-LPYMAVHISA-N -1 0 504.970 5.485 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408953866 1071394122 /nfs/dbraw/zinc/39/41/22/1071394122.db2.gz QFIXVXDXLKYZDI-IUXPMGMMSA-N -1 0 585.794 5.085 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408954652 1071390602 /nfs/dbraw/zinc/39/06/02/1071390602.db2.gz SDGRLUPMZWEYNZ-CCVNUDIWSA-N -1 0 597.111 7.062 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408691979 1071397062 /nfs/dbraw/zinc/39/70/62/1071397062.db2.gz AJRAENVKEBIPCD-DIBXZPPDSA-N -1 0 580.482 6.978 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000408953340 1071397564 /nfs/dbraw/zinc/39/75/64/1071397564.db2.gz PYBONHRPYFQWNI-OKCVXOCRSA-N -1 0 547.699 6.845 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966696 1071409384 /nfs/dbraw/zinc/40/93/84/1071409384.db2.gz NPCRTHFGFZZDIE-FYJGNVAPSA-N -1 0 510.034 6.015 40 10 KKCBRM Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408961033 1071430507 /nfs/dbraw/zinc/43/05/07/1071430507.db2.gz QBNRNVVTENXBOR-LQKURTRISA-N -1 0 509.650 5.729 40 10 KKCBRM CCCCCCOc1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000408973135 1071448471 /nfs/dbraw/zinc/44/84/71/1071448471.db2.gz SEBUDWKQWMUHIY-SLMZUGIISA-N -1 0 528.605 5.770 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408986879 1071486604 /nfs/dbraw/zinc/48/66/04/1071486604.db2.gz NMQXWWPRYLFIQY-JAIQZWGSSA-N -1 0 629.261 5.928 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408986828 1071485965 /nfs/dbraw/zinc/48/59/65/1071485965.db2.gz NIFJALUKHWKNOL-BKUYFWCQSA-N -1 0 550.365 5.165 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408985699 1071497700 /nfs/dbraw/zinc/49/77/00/1071497700.db2.gz XUCAJFDGVDYZMI-GRSHGNNSSA-N -1 0 604.284 6.572 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408985662 1071497744 /nfs/dbraw/zinc/49/77/44/1071497744.db2.gz XJJUDVHIBLGMDC-JMIUGGIZSA-N -1 0 651.284 6.551 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408985723 1071498512 /nfs/dbraw/zinc/49/85/12/1071498512.db2.gz YDRWMAOCXHKBMZ-XKZIYDEJSA-N -1 0 641.418 5.406 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C2=O)cc1 ZINC000408985490 1071498533 /nfs/dbraw/zinc/49/85/33/1071498533.db2.gz XCKSDQYUZJRKJA-LJUMEUDFSA-N -1 0 547.699 6.791 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408985535 1071499268 /nfs/dbraw/zinc/49/92/68/1071499268.db2.gz XFVAPUYYJPVFBJ-JMIUGGIZSA-N -1 0 634.829 6.036 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408985097 1071503047 /nfs/dbraw/zinc/50/30/47/1071503047.db2.gz VERYOZMEMBEWAC-JAIQZWGSSA-N -1 0 574.258 6.564 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000408985148 1071504039 /nfs/dbraw/zinc/50/40/39/1071504039.db2.gz VVVXDTHLBCCQJZ-JAIQZWGSSA-N -1 0 676.261 5.770 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408984691 1071507416 /nfs/dbraw/zinc/50/74/16/1071507416.db2.gz SONXCSBFTIBCAL-OCKHKDLRSA-N -1 0 590.257 6.318 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408984539 1071509102 /nfs/dbraw/zinc/50/91/02/1071509102.db2.gz RUFMMAIRTCKTBV-MTJSOVHGSA-N -1 0 553.840 6.219 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000408984453 1071508257 /nfs/dbraw/zinc/50/82/57/1071508257.db2.gz RHJYHHBJFFHENB-JAIQZWGSSA-N -1 0 513.352 5.940 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1 ZINC000408984179 1071511065 /nfs/dbraw/zinc/51/10/65/1071511065.db2.gz PXLFAJCVONVNHG-JAIQZWGSSA-N -1 0 757.160 6.466 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408984226 1071511421 /nfs/dbraw/zinc/51/14/21/1071511421.db2.gz QBSMVVLXSRSWJA-JMIUGGIZSA-N -1 0 661.836 5.805 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408983887 1071513213 /nfs/dbraw/zinc/51/32/13/1071513213.db2.gz NYFYCLWMRXUHKS-JMIUGGIZSA-N -1 0 570.385 5.854 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1Cl ZINC000408983993 1071513830 /nfs/dbraw/zinc/51/38/30/1071513830.db2.gz PDXXJGGXYVCTJD-GRSHGNNSSA-N -1 0 617.783 5.407 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408983943 1071514042 /nfs/dbraw/zinc/51/40/42/1071514042.db2.gz OSNNJUAGSKLWRM-GRSHGNNSSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408983763 1071515241 /nfs/dbraw/zinc/51/52/41/1071515241.db2.gz HOKJCMYPONHFDU-GIJQJNRQSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408724508 1071525287 /nfs/dbraw/zinc/52/52/87/1071525287.db2.gz AVGCOULCDSATEH-NDENLUEZSA-N -1 0 527.429 5.802 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408982985 1071521248 /nfs/dbraw/zinc/52/12/48/1071521248.db2.gz JJDSYXKQCUACFC-IMRQLAEWSA-N -1 0 520.585 6.046 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408982455 1071525905 /nfs/dbraw/zinc/52/59/05/1071525905.db2.gz HBWNYTMITGWGFY-NDENLUEZSA-N -1 0 525.388 5.810 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408982395 1071528000 /nfs/dbraw/zinc/52/80/00/1071528000.db2.gz GUDRIUONFNDKEV-DICXZTSXSA-N -1 0 574.464 6.955 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408982142 1071528734 /nfs/dbraw/zinc/52/87/34/1071528734.db2.gz GFPZSWJDYREMRI-OCKHKDLRSA-N -1 0 573.802 5.804 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1 ZINC000408982211 1071529323 /nfs/dbraw/zinc/52/93/23/1071529323.db2.gz CSLAVNUOIJBRME-XYGWBWBKSA-N -1 0 555.428 6.410 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408722969 1071530427 /nfs/dbraw/zinc/53/04/27/1071530427.db2.gz OWOIEDJCGXFJSU-LZYBPNLTSA-N -1 0 641.168 6.929 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723010 1071530448 /nfs/dbraw/zinc/53/04/48/1071530448.db2.gz PLPUQVGAKQFUKW-ZMOGYAJESA-N -1 0 668.940 6.907 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C2=O)cc1 ZINC000408981862 1071530658 /nfs/dbraw/zinc/53/06/58/1071530658.db2.gz CLQBZJIYVIXAAG-MWAVMZGNSA-N -1 0 616.515 7.803 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408981762 1071531879 /nfs/dbraw/zinc/53/18/79/1071531879.db2.gz BOMRLDMWFHDVRD-NVMNQCDNSA-N -1 0 545.806 6.209 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408981628 1071532964 /nfs/dbraw/zinc/53/29/64/1071532964.db2.gz CCAYEMWXZCLFEC-OCKHKDLRSA-N -1 0 620.802 5.646 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408981402 1071533722 /nfs/dbraw/zinc/53/37/22/1071533722.db2.gz AWFOTIBZNZUEFS-JAIQZWGSSA-N -1 0 602.812 5.507 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1 ZINC000408981496 1071534824 /nfs/dbraw/zinc/53/48/24/1071534824.db2.gz BKEOLZJZXMUOKS-OYKKKHCWSA-N -1 0 589.873 7.064 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)[N-]C2=S)cc1 ZINC000408994775 1071556688 /nfs/dbraw/zinc/55/66/88/1071556688.db2.gz IZRWWYMQTUMFOC-LICLKQGHSA-N -1 0 701.220 6.946 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408993301 1071567159 /nfs/dbraw/zinc/56/71/59/1071567159.db2.gz WBZDNPZQDJVEQY-MOSHPQCFSA-N -1 0 574.258 6.564 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408992985 1071568997 /nfs/dbraw/zinc/56/89/97/1071568997.db2.gz UICLUPJAOPNHIA-OEAKJJBVSA-N -1 0 684.155 7.545 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991654 1071578509 /nfs/dbraw/zinc/57/85/09/1071578509.db2.gz OTLXYHBHFZBTAG-ZVHZXABRSA-N -1 0 691.772 6.604 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408990765 1071586411 /nfs/dbraw/zinc/58/64/11/1071586411.db2.gz LVFBXKSSJAIVKO-ZVHZXABRSA-N -1 0 596.690 5.927 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408991267 1071583114 /nfs/dbraw/zinc/58/31/14/1071583114.db2.gz ZOXAVKLFMNYRMA-JAIQZWGSSA-N -1 0 569.839 6.055 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1 ZINC000408991047 1071583627 /nfs/dbraw/zinc/58/36/27/1071583627.db2.gz YTWGIHMQGXELSX-JBASAIQMSA-N -1 0 537.619 7.040 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408990664 1071587731 /nfs/dbraw/zinc/58/77/31/1071587731.db2.gz XZMQPAABJWEKGI-MTJSOVHGSA-N -1 0 598.291 6.328 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408990657 1071587779 /nfs/dbraw/zinc/58/77/79/1071587779.db2.gz LHYBGKRFGVZKPF-ZVHZXABRSA-N -1 0 684.155 7.545 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408990666 1071587809 /nfs/dbraw/zinc/58/78/09/1071587809.db2.gz XZRWNVWAGCMVPW-BKUYFWCQSA-N -1 0 523.358 5.396 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 ZINC000408990535 1071589078 /nfs/dbraw/zinc/58/90/78/1071589078.db2.gz NTNHIXQMNUIYCA-JCMHNJIXSA-N -1 0 505.368 5.257 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408990529 1071589222 /nfs/dbraw/zinc/58/92/22/1071589222.db2.gz NSFDJYQZQJVSSL-HMAPJEAMSA-N -1 0 539.813 5.910 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408989022 1071599519 /nfs/dbraw/zinc/59/95/19/1071599519.db2.gz GOGRZOXYVLLXSP-KGENOOAVSA-N -1 0 656.101 6.928 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408988905 1071601006 /nfs/dbraw/zinc/60/10/06/1071601006.db2.gz SBUPUOSUPHHCAU-OCKHKDLRSA-N -1 0 618.709 6.727 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5ccc(C)cc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988699 1071602087 /nfs/dbraw/zinc/60/20/87/1071602087.db2.gz FNIZINIXKZNTHC-XDHOZWIPSA-N -1 0 576.681 5.894 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408739873 1071602147 /nfs/dbraw/zinc/60/21/47/1071602147.db2.gz BEQCESQXBVSTQV-GIJQJNRQSA-N -1 0 667.681 5.961 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(C(=O)[O-])ccc4Cl)C3=O)o2)cc1 ZINC000408987367 1071612400 /nfs/dbraw/zinc/61/24/00/1071612400.db2.gz WWDPEZLVPQIVSS-PXLXIMEGSA-N -1 0 525.944 6.556 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408996744 1071616408 /nfs/dbraw/zinc/61/64/08/1071616408.db2.gz MXCAIKNJMWLPIQ-CIAFOILYSA-N -1 0 574.827 5.355 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1 ZINC000408744227 1071616806 /nfs/dbraw/zinc/61/68/06/1071616806.db2.gz ZDEFRIUUDFVZED-DEDYPNTBSA-N -1 0 537.435 5.176 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408995706 1071621588 /nfs/dbraw/zinc/62/15/88/1071621588.db2.gz MXMJZGSMGDRZHF-LZYBPNLTSA-N -1 0 750.090 7.700 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408743642 1071617779 /nfs/dbraw/zinc/61/77/79/1071617779.db2.gz WKMVNWLSMBJXBA-XKZIYDEJSA-N -1 0 524.440 5.087 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408743294 1071618275 /nfs/dbraw/zinc/61/82/75/1071618275.db2.gz VQLLDAMXYZUXSK-VXLYETTFSA-N -1 0 547.847 6.066 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c1C)CCCC2 ZINC000408743253 1071618430 /nfs/dbraw/zinc/61/84/30/1071618430.db2.gz RUTMBUPZZFVLCM-STZFKDTASA-N -1 0 610.530 5.948 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408742788 1071620128 /nfs/dbraw/zinc/62/01/28/1071620128.db2.gz YDWUZLKKIQUSJB-UDWIEESQSA-N -1 0 521.367 5.012 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[N-]C1=S ZINC000408742499 1071621246 /nfs/dbraw/zinc/62/12/46/1071621246.db2.gz RIKGGAFSIRLUSU-YBEGLDIGSA-N -1 0 591.237 5.520 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408744501 1071616013 /nfs/dbraw/zinc/61/60/13/1071616013.db2.gz YFWMALSONHSEBK-MWAVMZGNSA-N -1 0 648.582 7.804 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C(C)(C)C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408741307 1071626720 /nfs/dbraw/zinc/62/67/20/1071626720.db2.gz IJCFZJGNPUNRRJ-GIBOGKFOSA-N -1 0 609.726 8.174 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741104 1071627312 /nfs/dbraw/zinc/62/73/12/1071627312.db2.gz KDURSWATRWTXCH-UDWIEESQSA-N -1 0 537.435 5.176 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742165 1071622226 /nfs/dbraw/zinc/62/22/26/1071622226.db2.gz PVAONNBOPBSTNA-DJKKODMXSA-N -1 0 592.298 6.175 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408740936 1071627781 /nfs/dbraw/zinc/62/77/81/1071627781.db2.gz FFIKZFVCHDGWOM-DFKUXCBWSA-N -1 0 583.644 6.885 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741028 1071627801 /nfs/dbraw/zinc/62/78/01/1071627801.db2.gz JITGGAOLJFWLMI-YBFXNURJSA-N -1 0 557.853 5.521 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000408741457 1071625605 /nfs/dbraw/zinc/62/56/05/1071625605.db2.gz MDFKVQGARVCDNG-YBFXNURJSA-N -1 0 680.305 5.615 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741227 1071626163 /nfs/dbraw/zinc/62/61/63/1071626163.db2.gz HQPKMFXUYBSUFD-PKAZHMFMSA-N -1 0 566.639 6.437 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000408741260 1071626180 /nfs/dbraw/zinc/62/61/80/1071626180.db2.gz OXIKXPFMXLSFFB-OFWBYEQRSA-N -1 0 569.686 7.041 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408740828 1071628510 /nfs/dbraw/zinc/62/85/10/1071628510.db2.gz MYERUTNIKUFFTL-FYJGNVAPSA-N -1 0 551.393 5.102 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408740602 1071630173 /nfs/dbraw/zinc/63/01/73/1071630173.db2.gz CLRJFILOZMXMDP-DFKUXCBWSA-N -1 0 567.645 7.185 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408757027 1071634270 /nfs/dbraw/zinc/63/42/70/1071634270.db2.gz VWIRLDDZQXNPEY-YBFXNURJSA-N -1 0 679.280 6.145 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408756742 1071636005 /nfs/dbraw/zinc/63/60/05/1071636005.db2.gz XAFRRHKPQAAHDX-RGVLZGJSSA-N -1 0 659.287 6.072 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c3ccccc32)c1 ZINC000409002893 1071639187 /nfs/dbraw/zinc/63/91/87/1071639187.db2.gz XFFXSQYPQRIKFX-YDZHTSKRSA-N -1 0 530.447 5.592 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(I)cc4)c(I)c3)C2=O)ccc1Br ZINC000408754383 1071651620 /nfs/dbraw/zinc/65/16/20/1071651620.db2.gz NCFUOXDHXKKWNN-GIJQJNRQSA-N -1 0 869.029 6.817 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408753633 1071655684 /nfs/dbraw/zinc/65/56/84/1071655684.db2.gz JXYGFIBEXKAGBZ-UDWIEESQSA-N -1 0 600.263 5.774 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408998484 1071658480 /nfs/dbraw/zinc/65/84/80/1071658480.db2.gz USWJCKNIEUJUTF-VCHYOVAHSA-N -1 0 699.248 7.554 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000408753398 1071658498 /nfs/dbraw/zinc/65/84/98/1071658498.db2.gz IPPNALRKFZSWTA-HZHRSRAPSA-N -1 0 528.406 5.735 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997417 1071664852 /nfs/dbraw/zinc/66/48/52/1071664852.db2.gz OLHGLKIQNSUXFH-CXUHLZMHSA-N -1 0 705.639 7.591 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408752358 1071664960 /nfs/dbraw/zinc/66/49/60/1071664960.db2.gz HZOHKXYFSUATAT-RGVLZGJSSA-N -1 0 587.829 6.194 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408760537 1071696267 /nfs/dbraw/zinc/69/62/67/1071696267.db2.gz AJSWSBCSVRGPKV-FYJGNVAPSA-N -1 0 661.290 6.006 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000408760154 1071698574 /nfs/dbraw/zinc/69/85/74/1071698574.db2.gz SLIZVDCXXSPCDL-FYJGNVAPSA-N -1 0 506.400 5.448 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408759402 1071701545 /nfs/dbraw/zinc/70/15/45/1071701545.db2.gz DKMASACACJNJBB-RGVLZGJSSA-N -1 0 604.284 6.708 40 10 KKCBRM Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408757716 1071709662 /nfs/dbraw/zinc/70/96/62/1071709662.db2.gz PEECCURLPWQATC-WKULSOCRSA-N -1 0 534.660 5.932 40 10 KKCBRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4[O-])c(=O)n31)c1ccccc1CC2 ZINC000408757884 1071708841 /nfs/dbraw/zinc/70/88/41/1071708841.db2.gz ROBUSBDVXRXNTG-WRHZMTGYSA-N -1 0 570.674 6.448 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408757952 1071709233 /nfs/dbraw/zinc/70/92/33/1071709233.db2.gz DYYFYCOWNKDTED-VXLYETTFSA-N -1 0 573.802 5.804 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408767225 1071715465 /nfs/dbraw/zinc/71/54/65/1071715465.db2.gz KGVGDQTVWIRECX-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408766159 1071721595 /nfs/dbraw/zinc/72/15/95/1071721595.db2.gz PJZGCKWFTAVEJE-CAOOACKPSA-N -1 0 624.702 6.972 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)ccc1Br ZINC000408765651 1071723240 /nfs/dbraw/zinc/72/32/40/1071723240.db2.gz WZVXBXFCJWODEY-UDWIEESQSA-N -1 0 649.133 6.528 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(I)c3)C2=O)ccc1Br ZINC000408763523 1071732303 /nfs/dbraw/zinc/73/23/03/1071732303.db2.gz PIKSWYULOCGHDP-VCHYOVAHSA-N -1 0 696.133 6.370 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1Br ZINC000408763339 1071732685 /nfs/dbraw/zinc/73/26/85/1071732685.db2.gz MVRFLOMDWOEODR-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)cc1 ZINC000408761875 1071738450 /nfs/dbraw/zinc/73/84/50/1071738450.db2.gz HNUJAPGPSMKIQL-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408761694 1071738834 /nfs/dbraw/zinc/73/88/34/1071738834.db2.gz AYBZHGJFNHREFA-CVKSISIWSA-N -1 0 524.642 6.565 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000408761521 1071739366 /nfs/dbraw/zinc/73/93/66/1071739366.db2.gz FMWYLVIWJMMTED-GLDPYIMESA-N -1 0 514.525 6.031 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)ccc1Br ZINC000408761458 1071739913 /nfs/dbraw/zinc/73/99/13/1071739913.db2.gz FPVZGRURWPHFHF-RQZCQDPDSA-N -1 0 686.127 6.914 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408776940 1071747578 /nfs/dbraw/zinc/74/75/78/1071747578.db2.gz SIBPEORKGGRNCL-CVKSISIWSA-N -1 0 599.481 6.863 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408775822 1071752479 /nfs/dbraw/zinc/75/24/79/1071752479.db2.gz VCKHLEOYEYSFEN-VCHYOVAHSA-N -1 0 543.776 5.795 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408776812 1071748575 /nfs/dbraw/zinc/74/85/75/1071748575.db2.gz QXRFZWHGEJJQPY-YBFXNURJSA-N -1 0 511.361 5.556 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408774955 1071757532 /nfs/dbraw/zinc/75/75/32/1071757532.db2.gz DRJBGAHHPMOVCK-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408775797 1071753986 /nfs/dbraw/zinc/75/39/86/1071753986.db2.gz UXWNPXUWCSDWHI-KIQOBVLXSA-N -1 0 504.586 6.143 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408775513 1071755753 /nfs/dbraw/zinc/75/57/53/1071755753.db2.gz TXLWFDWFYHOASE-VXLYETTFSA-N -1 0 542.331 5.156 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408774376 1071761134 /nfs/dbraw/zinc/76/11/34/1071761134.db2.gz VNWNKZOXXYAEEA-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408774724 1071759463 /nfs/dbraw/zinc/75/94/63/1071759463.db2.gz QGCFKKMWPVGIGQ-CIAFOILYSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408774334 1071762936 /nfs/dbraw/zinc/76/29/36/1071762936.db2.gz VBVVHXNIMIEKFX-CVKSISIWSA-N -1 0 595.568 5.986 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408774617 1071760472 /nfs/dbraw/zinc/76/04/72/1071760472.db2.gz CGGUJKRQYFSZTP-RQZCQDPDSA-N -1 0 658.254 7.419 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408773242 1071768673 /nfs/dbraw/zinc/76/86/73/1071768673.db2.gz UJOJOCOMOWXBTN-RQZCQDPDSA-N -1 0 610.675 6.663 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408773032 1071769609 /nfs/dbraw/zinc/76/96/09/1071769609.db2.gz OWDLCYQQVVXVRH-GIJQJNRQSA-N -1 0 536.198 6.546 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408772183 1071775070 /nfs/dbraw/zinc/77/50/70/1071775070.db2.gz DXQCHFZAXOWCPO-DJKKODMXSA-N -1 0 620.681 6.119 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)c1C ZINC000408772001 1071777209 /nfs/dbraw/zinc/77/72/09/1071777209.db2.gz KQLLYGAOULBHNS-LFVJCYFKSA-N -1 0 530.049 6.370 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408771964 1071777311 /nfs/dbraw/zinc/77/73/11/1071777311.db2.gz KIQWBMCCOLKHOK-FSJBWODESA-N -1 0 505.014 5.873 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408771637 1071778851 /nfs/dbraw/zinc/77/88/51/1071778851.db2.gz JVCPPJYJIRFEAT-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408771134 1071781669 /nfs/dbraw/zinc/78/16/69/1071781669.db2.gz FOGRZRIIBXTDDO-ZVHZXABRSA-N -1 0 571.427 6.165 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)c1 ZINC000408771053 1071782811 /nfs/dbraw/zinc/78/28/11/1071782811.db2.gz FAUSEHJEVXFUIO-KEBDBYFISA-N -1 0 618.709 6.727 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C2=O)cc1 ZINC000408770976 1071783846 /nfs/dbraw/zinc/78/38/46/1071783846.db2.gz BLOYZULRIUOZHZ-CIAFOILYSA-N -1 0 630.289 5.864 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408767861 1071805721 /nfs/dbraw/zinc/80/57/21/1071805721.db2.gz QGLKLYFDBJGQKM-OVCLIPMQSA-N -1 0 731.754 6.913 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000408767918 1071806299 /nfs/dbraw/zinc/80/62/99/1071806299.db2.gz AJNLOQOYYYCIEK-RQZCQDPDSA-N -1 0 672.100 6.606 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408767790 1071805067 /nfs/dbraw/zinc/80/50/67/1071805067.db2.gz OIVNGGZRVROGKM-ZMOGYAJESA-N -1 0 585.504 5.508 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408767503 1071808209 /nfs/dbraw/zinc/80/82/09/1071808209.db2.gz LPRDAUOFQOHZFR-GIJQJNRQSA-N -1 0 702.705 7.528 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408767427 1071809702 /nfs/dbraw/zinc/80/97/02/1071809702.db2.gz XKOYLPCIRBCDQT-FYJGNVAPSA-N -1 0 584.264 6.074 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408782179 1071813175 /nfs/dbraw/zinc/81/31/75/1071813175.db2.gz WMFYXSAJMVGLNC-SRZZPIQSSA-N -1 0 600.384 5.301 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408781768 1071815576 /nfs/dbraw/zinc/81/55/76/1071815576.db2.gz DMTGSIVYOQMDAK-JVWAILMASA-N -1 0 604.888 6.755 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408781519 1071816160 /nfs/dbraw/zinc/81/61/60/1071816160.db2.gz BFNZXENIWKHIBA-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000408781393 1071817486 /nfs/dbraw/zinc/81/74/86/1071817486.db2.gz RYCLDKOUKFBCRK-NLRVBDNBSA-N -1 0 507.615 5.683 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)C2=O)cc1 ZINC000408780364 1071824160 /nfs/dbraw/zinc/82/41/60/1071824160.db2.gz XUVNVYHULMUNDJ-YDZHTSKRSA-N -1 0 531.395 6.700 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408780792 1071821884 /nfs/dbraw/zinc/82/18/84/1071821884.db2.gz KQBCDPOLONDXPN-VXLYETTFSA-N -1 0 714.681 5.803 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000408780889 1071822654 /nfs/dbraw/zinc/82/26/54/1071822654.db2.gz MRNIHBCEIAYNOO-WOJGMQOQSA-N -1 0 530.886 5.613 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408781152 1071820018 /nfs/dbraw/zinc/82/00/18/1071820018.db2.gz AYVURXBJNNCBHQ-GIJQJNRQSA-N -1 0 716.551 6.715 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408779510 1071828719 /nfs/dbraw/zinc/82/87/19/1071828719.db2.gz FYKYUGXRZCXCKG-SRZZPIQSSA-N -1 0 661.290 5.925 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409046831 1071828916 /nfs/dbraw/zinc/82/89/16/1071828916.db2.gz MPNCPADSMHTMGB-YDZHTSKRSA-N -1 0 640.715 7.264 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Br)c3)C2=O)c1 ZINC000408780221 1071825424 /nfs/dbraw/zinc/82/54/24/1071825424.db2.gz VPEFIQDBAXJJKV-RGVLZGJSSA-N -1 0 539.813 5.965 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408780279 1071825494 /nfs/dbraw/zinc/82/54/94/1071825494.db2.gz AOVHDLVHONPBJJ-REZTVBANSA-N -1 0 634.664 5.839 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409045603 1071825379 /nfs/dbraw/zinc/82/53/79/1071825379.db2.gz ZTIWDHKNOIWJTD-QGMBQPNBSA-N -1 0 615.094 7.308 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408780231 1071825534 /nfs/dbraw/zinc/82/55/34/1071825534.db2.gz VXPVVCSROJCLEJ-GIDUJCDVSA-N -1 0 725.672 7.524 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000409046730 1071830165 /nfs/dbraw/zinc/83/01/65/1071830165.db2.gz LSDHXQLXTWUIFJ-OEAKJJBVSA-N -1 0 622.472 5.239 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408779387 1071830345 /nfs/dbraw/zinc/83/03/45/1071830345.db2.gz VZJLSAKFCJAAOL-GZTJUZNOSA-N -1 0 531.779 5.901 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409046498 1071830977 /nfs/dbraw/zinc/83/09/77/1071830977.db2.gz KYAKMULLOCMBAR-CXUHLZMHSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409046068 1071834665 /nfs/dbraw/zinc/83/46/65/1071834665.db2.gz IGAAUEALOUVOKP-QGMBQPNBSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408778600 1071835052 /nfs/dbraw/zinc/83/50/52/1071835052.db2.gz IFGMBNLLQQLQGD-OVCLIPMQSA-N -1 0 739.699 7.914 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O ZINC000409046085 1071835373 /nfs/dbraw/zinc/83/53/73/1071835373.db2.gz IQEJRSJEZNUFSU-UBKPWBPPSA-N -1 0 673.572 7.726 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408777429 1071842693 /nfs/dbraw/zinc/84/26/93/1071842693.db2.gz YXJSGEWKFIUCRP-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409045423 1071840601 /nfs/dbraw/zinc/84/06/01/1071840601.db2.gz GSBFWRNMENSBRT-KEBDBYFISA-N -1 0 529.807 6.509 40 10 KKCBRM Cc1ccc(N=Nc2ccc(N3C(=O)[C@H](OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)=C3[O-])cc2)cc1 ZINC000409293208 1071842772 /nfs/dbraw/zinc/84/27/72/1071842772.db2.gz HFPCJAPFFLAUIZ-XIQQCNFESA-N -1 0 533.540 5.735 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408777672 1071842774 /nfs/dbraw/zinc/84/27/74/1071842774.db2.gz FPYZVBCMSININR-WKULSOCRSA-N -1 0 554.090 6.882 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408778707 1071836503 /nfs/dbraw/zinc/83/65/03/1071836503.db2.gz XANHBNSRKXWALZ-MFKUBSTISA-N -1 0 537.532 5.164 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(I)c3)C2=O)c1 ZINC000408778506 1071837055 /nfs/dbraw/zinc/83/70/55/1071837055.db2.gz VPGXIPGNELQBMY-KEBDBYFISA-N -1 0 696.254 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408778570 1071837740 /nfs/dbraw/zinc/83/77/40/1071837740.db2.gz HLUDGLJCHDFHMO-CVKSISIWSA-N -1 0 646.481 6.705 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408778325 1071837769 /nfs/dbraw/zinc/83/77/69/1071837769.db2.gz DNDPXCANWFVMRW-FYJGNVAPSA-N -1 0 509.331 5.142 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c1C)CCCC2 ZINC000408778426 1071838365 /nfs/dbraw/zinc/83/83/65/1071838365.db2.gz ULQCUGUMKWYQOK-MUFRIFMGSA-N -1 0 637.802 6.955 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408777378 1071844738 /nfs/dbraw/zinc/84/47/38/1071844738.db2.gz YCVFKCCAJFRKFG-SRZZPIQSSA-N -1 0 630.358 6.247 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408787153 1071846013 /nfs/dbraw/zinc/84/60/13/1071846013.db2.gz SMUBOALNXPQENA-STBIYBPSSA-N -1 0 537.591 6.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408786930 1071846513 /nfs/dbraw/zinc/84/65/13/1071846513.db2.gz XZXJWWFMDKOKAF-REZTVBANSA-N -1 0 590.213 5.730 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409044455 1071848212 /nfs/dbraw/zinc/84/82/12/1071848212.db2.gz CHDDPDWFFNCXEI-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408786470 1071849904 /nfs/dbraw/zinc/84/99/04/1071849904.db2.gz QJNYRHJQYXKESL-WSDLNYQXSA-N -1 0 596.421 5.470 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408786403 1071851041 /nfs/dbraw/zinc/85/10/41/1071851041.db2.gz JKGCSFOOIOVWGK-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409044226 1071850968 /nfs/dbraw/zinc/85/09/68/1071850968.db2.gz UPRFJRWXWYNRQZ-VXLYETTFSA-N -1 0 591.201 5.910 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408786310 1071852342 /nfs/dbraw/zinc/85/23/42/1071852342.db2.gz PEQJJPZTMCPRHX-CAOOACKPSA-N -1 0 594.676 6.963 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409043766 1071855698 /nfs/dbraw/zinc/85/56/98/1071855698.db2.gz ALYLBTSLWYCLDL-CIAFOILYSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409043919 1071853687 /nfs/dbraw/zinc/85/36/87/1071853687.db2.gz BJDYIUYPUXKEGI-GIJQJNRQSA-N -1 0 590.655 6.110 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408785651 1071856363 /nfs/dbraw/zinc/85/63/63/1071856363.db2.gz XPEHLINOFSOKOA-WSDLNYQXSA-N -1 0 583.866 6.363 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C1=O ZINC000409043632 1071857037 /nfs/dbraw/zinc/85/70/37/1071857037.db2.gz SJNILWCJFUAQKA-FSJBWODESA-N -1 0 654.742 7.572 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409043610 1071857131 /nfs/dbraw/zinc/85/71/31/1071857131.db2.gz SBRDWQKERIMZOI-LZYBPNLTSA-N -1 0 659.545 7.417 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408785327 1071857215 /nfs/dbraw/zinc/85/72/15/1071857215.db2.gz YLHDXHGWVCQHOO-GIJQJNRQSA-N -1 0 694.760 6.526 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000408784572 1071862812 /nfs/dbraw/zinc/86/28/12/1071862812.db2.gz VAISNALAMYRDSN-VXLYETTFSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)c1 ZINC000408785344 1071857851 /nfs/dbraw/zinc/85/78/51/1071857851.db2.gz YPDGOPZJZJOMQR-ZMOGYAJESA-N -1 0 634.324 7.227 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408785362 1071857952 /nfs/dbraw/zinc/85/79/52/1071857952.db2.gz YNRCZYGMBISNPD-AFUMVMLFSA-N -1 0 585.454 6.473 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408785082 1071859232 /nfs/dbraw/zinc/85/92/32/1071859232.db2.gz FVQYWLUHJQJUQT-VXLYETTFSA-N -1 0 560.231 6.310 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000409043373 1071860599 /nfs/dbraw/zinc/86/05/99/1071860599.db2.gz QKXIVSJHFFNYHO-VXLYETTFSA-N -1 0 632.236 5.383 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409043395 1071860658 /nfs/dbraw/zinc/86/06/58/1071860658.db2.gz QOUPBRWMGOOHIR-GIJQJNRQSA-N -1 0 654.720 5.608 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408784824 1071861868 /nfs/dbraw/zinc/86/18/68/1071861868.db2.gz TXADKQZAYNFWFD-KEBDBYFISA-N -1 0 618.311 7.017 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000408784397 1071865362 /nfs/dbraw/zinc/86/53/62/1071865362.db2.gz QUNKXPZJVVIRLU-JJIBRWJFSA-N -1 0 546.117 6.481 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409042730 1071865411 /nfs/dbraw/zinc/86/54/11/1071865411.db2.gz OMYFGJRTLXQJQQ-MHWRWJLKSA-N -1 0 501.753 5.892 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408783307 1071871005 /nfs/dbraw/zinc/87/10/05/1071871005.db2.gz MINCMCZJKXWXQS-LZYBPNLTSA-N -1 0 610.726 6.488 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408783438 1071869489 /nfs/dbraw/zinc/86/94/89/1071869489.db2.gz LHPXOJRGEPLYTB-KGLTUOCLSA-N -1 0 518.613 6.452 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408797100 1071877444 /nfs/dbraw/zinc/87/74/44/1071877444.db2.gz GBOWQILKFHZVLC-YDZHTSKRSA-N -1 0 605.872 6.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408782919 1071874995 /nfs/dbraw/zinc/87/49/95/1071874995.db2.gz LEKVUBMQSIHFRN-WSDLNYQXSA-N -1 0 504.970 5.519 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1C ZINC000409041928 1071876435 /nfs/dbraw/zinc/87/64/35/1071876435.db2.gz LBNGGOWIJUQISE-RGVLZGJSSA-N -1 0 529.807 6.509 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000408797227 1071876819 /nfs/dbraw/zinc/87/68/19/1071876819.db2.gz BYKMDXVZSTZNBL-WOJGMQOQSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409042008 1071873924 /nfs/dbraw/zinc/87/39/24/1071873924.db2.gz LWEPGUAEGAFGQA-FYJGNVAPSA-N -1 0 640.715 7.264 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408782841 1071874269 /nfs/dbraw/zinc/87/42/69/1071874269.db2.gz KBYSWJWVDFZJJF-MFKUBSTISA-N -1 0 595.568 5.986 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408794735 1071884737 /nfs/dbraw/zinc/88/47/37/1071884737.db2.gz BLYZEMOMKVPUMI-PXLXIMEGSA-N -1 0 561.819 6.501 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408795187 1071883148 /nfs/dbraw/zinc/88/31/48/1071883148.db2.gz BQLLGMJEBUXINO-YDZHTSKRSA-N -1 0 577.475 6.327 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409041181 1071883936 /nfs/dbraw/zinc/88/39/36/1071883936.db2.gz IZOLAVWNBNVUJK-CIAFOILYSA-N -1 0 659.864 5.336 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409041529 1071878172 /nfs/dbraw/zinc/87/81/72/1071878172.db2.gz JXIAHRHWPIEHLF-VXLYETTFSA-N -1 0 579.845 5.698 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000409041435 1071879842 /nfs/dbraw/zinc/87/98/42/1071879842.db2.gz JLKRZDKUOCCRFJ-VCHYOVAHSA-N -1 0 699.171 5.717 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408796045 1071880731 /nfs/dbraw/zinc/88/07/31/1071880731.db2.gz CUUBAJRESCVFBI-CIAFOILYSA-N -1 0 535.940 5.201 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000409040673 1071886835 /nfs/dbraw/zinc/88/68/35/1071886835.db2.gz HMAFMOOPXCVFNZ-YBFXNURJSA-N -1 0 618.253 5.995 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409040534 1071888546 /nfs/dbraw/zinc/88/85/46/1071888546.db2.gz GKKYWXCHIPBLFN-DJKKODMXSA-N -1 0 646.204 5.273 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409040171 1071893185 /nfs/dbraw/zinc/89/31/85/1071893185.db2.gz FSZUUUCUEIXSKM-YBFXNURJSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408789540 1071894974 /nfs/dbraw/zinc/89/49/74/1071894974.db2.gz MAWJZRDHJFMRGA-LTGZKZEYSA-N -1 0 516.384 6.426 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)c1 ZINC000408806388 1071904361 /nfs/dbraw/zinc/90/43/61/1071904361.db2.gz JATRNHPQZZNITC-HZHRSRAPSA-N -1 0 531.395 6.700 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408806401 1071904628 /nfs/dbraw/zinc/90/46/28/1071904628.db2.gz MXSVISZKJWEZMI-RQZCQDPDSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408805807 1071905597 /nfs/dbraw/zinc/90/55/97/1071905597.db2.gz LRRVAGJBLAIYPA-OEAKJJBVSA-N -1 0 561.819 6.501 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409039272 1071900857 /nfs/dbraw/zinc/90/08/57/1071900857.db2.gz CDUQGEPDSXXCCH-CAOOACKPSA-N -1 0 533.770 6.340 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000409039329 1071901319 /nfs/dbraw/zinc/90/13/19/1071901319.db2.gz CPSNJPDDZCVUPV-FYJGNVAPSA-N -1 0 575.426 5.135 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408807085 1071901317 /nfs/dbraw/zinc/90/13/17/1071901317.db2.gz KEBPYZFWQDEJHX-FYJGNVAPSA-N -1 0 550.365 5.220 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408807200 1071901428 /nfs/dbraw/zinc/90/14/28/1071901428.db2.gz GMMWNQVMAARSAT-YZSQISJMSA-N -1 0 538.531 5.401 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408806800 1071902522 /nfs/dbraw/zinc/90/25/22/1071902522.db2.gz BUTNQPQKYPKJGH-YDZHTSKRSA-N -1 0 528.948 5.453 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408806638 1071903076 /nfs/dbraw/zinc/90/30/76/1071903076.db2.gz FZCBEZNMRITTPL-DJKKODMXSA-N -1 0 586.782 5.265 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409038746 1071906926 /nfs/dbraw/zinc/90/69/26/1071906926.db2.gz AYNHVHXESQPDHZ-FSJBWODESA-N -1 0 562.365 6.300 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408805083 1071907982 /nfs/dbraw/zinc/90/79/82/1071907982.db2.gz DJHPDDIZIQDIGM-ZVHZXABRSA-N -1 0 537.528 5.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408805091 1071908085 /nfs/dbraw/zinc/90/80/85/1071908085.db2.gz DNOFTLGJQCNNOL-CIAFOILYSA-N -1 0 504.970 5.519 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408805086 1071908187 /nfs/dbraw/zinc/90/81/87/1071908187.db2.gz DKCKCYARJMOJMU-FYJGNVAPSA-N -1 0 550.365 5.220 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)c(C)c1 ZINC000408804703 1071909296 /nfs/dbraw/zinc/90/92/96/1071909296.db2.gz GUAUFULXGLYNQZ-BUVRLJJBSA-N -1 0 545.422 7.009 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408803052 1071910824 /nfs/dbraw/zinc/91/08/24/1071910824.db2.gz KTEWDGPITDPPLL-YDZHTSKRSA-N -1 0 624.475 6.169 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408802775 1071911325 /nfs/dbraw/zinc/91/13/25/1071911325.db2.gz HGQXBNAKKCYHBU-FYJGNVAPSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408802257 1071911891 /nfs/dbraw/zinc/91/18/91/1071911891.db2.gz XWDTXMHIXUPBAA-FYJGNVAPSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000409056215 1071923240 /nfs/dbraw/zinc/92/32/40/1071923240.db2.gz LDLCTBJHDUJXAA-UDWIEESQSA-N -1 0 575.426 5.135 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1 ZINC000409054939 1071931659 /nfs/dbraw/zinc/93/16/59/1071931659.db2.gz HIIZWLMKNXPOAD-UDWIEESQSA-N -1 0 529.351 5.777 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409050075 1071960553 /nfs/dbraw/zinc/96/05/53/1071960553.db2.gz ZXQWVSOCKZIKHC-VXLYETTFSA-N -1 0 635.652 6.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409050195 1071958872 /nfs/dbraw/zinc/95/88/72/1071958872.db2.gz SKNZFEPHSWNAKO-STBIYBPSSA-N -1 0 623.492 7.971 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409050030 1071960028 /nfs/dbraw/zinc/96/00/28/1071960028.db2.gz SCNDXPKBPHMUGJ-CIAFOILYSA-N -1 0 556.358 5.546 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000409049236 1071966742 /nfs/dbraw/zinc/96/67/42/1071966742.db2.gz VUMGBMABWGFZKF-RGVLZGJSSA-N -1 0 511.361 5.556 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409049935 1071961730 /nfs/dbraw/zinc/96/17/30/1071961730.db2.gz YUMXHVORTOFFFU-KPKJPENVSA-N -1 0 542.611 5.239 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409049742 1071962145 /nfs/dbraw/zinc/96/21/45/1071962145.db2.gz YFERGQVQKGVIEF-GIJQJNRQSA-N -1 0 680.103 6.128 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000409049769 1071962192 /nfs/dbraw/zinc/96/21/92/1071962192.db2.gz YMKJWDBVBMAQFK-QGMBQPNBSA-N -1 0 655.126 6.772 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409049814 1071962869 /nfs/dbraw/zinc/96/28/69/1071962869.db2.gz XQMCELABLLNULL-QGMBQPNBSA-N -1 0 641.099 6.469 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000409049596 1071963336 /nfs/dbraw/zinc/96/33/36/1071963336.db2.gz XAKMCPWLQQDDAV-RGVLZGJSSA-N -1 0 545.806 6.291 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1Cl ZINC000409049700 1071963865 /nfs/dbraw/zinc/96/38/65/1071963865.db2.gz XVXOZIGIXUOTPW-DJKKODMXSA-N -1 0 550.225 6.854 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000409049184 1071966286 /nfs/dbraw/zinc/96/62/86/1071966286.db2.gz VMKCQJXLCFRXAW-YDZHTSKRSA-N -1 0 664.306 6.397 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409048306 1071972688 /nfs/dbraw/zinc/97/26/88/1071972688.db2.gz SIVFFJLKZDPEFT-VGOFMYFVSA-N -1 0 556.638 5.629 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409048735 1071968833 /nfs/dbraw/zinc/96/88/33/1071968833.db2.gz SXSUBXGCPCPIMC-RQZCQDPDSA-N -1 0 649.679 6.327 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1Cl ZINC000409048157 1071973881 /nfs/dbraw/zinc/97/38/81/1071973881.db2.gz QSXSNGYGYHKEST-DJKKODMXSA-N -1 0 622.672 6.558 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409047862 1071976124 /nfs/dbraw/zinc/97/61/24/1071976124.db2.gz NNMYIYKFGNCZLL-VCHYOVAHSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409047846 1071976263 /nfs/dbraw/zinc/97/62/63/1071976263.db2.gz PUQXEDGRMRWJLI-VXLYETTFSA-N -1 0 557.302 5.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409059192 1071981718 /nfs/dbraw/zinc/98/17/18/1071981718.db2.gz VEUGATRXPFFZFN-YBFXNURJSA-N -1 0 574.200 5.596 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076861 1072044403 /nfs/dbraw/zinc/04/44/03/1072044403.db2.gz BPBMMQNVJGEFTN-OVCLIPMQSA-N -1 0 596.301 6.388 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409076708 1072049914 /nfs/dbraw/zinc/04/99/14/1072049914.db2.gz BWBMVMDURMFHSH-FRKPEAEDSA-N -1 0 703.649 7.559 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075588 1072059140 /nfs/dbraw/zinc/05/91/40/1072059140.db2.gz SBTWRZWCKIRQPO-YBFXNURJSA-N -1 0 684.746 5.698 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409075183 1072062994 /nfs/dbraw/zinc/06/29/94/1072062994.db2.gz PKPNCPBDJUSRIC-WQRHYEAKSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409075514 1072060785 /nfs/dbraw/zinc/06/07/85/1072060785.db2.gz WOAFBFXOOMYGIO-LICLKQGHSA-N -1 0 685.144 5.408 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 ZINC000409074788 1072066710 /nfs/dbraw/zinc/06/67/10/1072066710.db2.gz RPIWAPYUWXBJJM-KGENOOAVSA-N -1 0 522.026 5.064 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409073984 1072070458 /nfs/dbraw/zinc/07/04/58/1072070458.db2.gz OUAVBOSTQZWHEB-YZSQISJMSA-N -1 0 724.529 5.703 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072514 1072081842 /nfs/dbraw/zinc/08/18/42/1072081842.db2.gz VSRDJIZCUJCJAH-CIAFOILYSA-N -1 0 680.904 5.394 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[N-]C1=S ZINC000409071266 1072090891 /nfs/dbraw/zinc/09/08/91/1072090891.db2.gz QGGDFXWOUQLAOR-XDHOZWIPSA-N -1 0 554.886 6.790 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409071352 1072089484 /nfs/dbraw/zinc/08/94/84/1072089484.db2.gz JLBGTGRIDTZUAH-UDWIEESQSA-N -1 0 684.746 5.698 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409069433 1072102150 /nfs/dbraw/zinc/10/21/50/1072102150.db2.gz XRBSTYUZFCYKOA-WOJGMQOQSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409068734 1072108692 /nfs/dbraw/zinc/10/86/92/1072108692.db2.gz UZMZAWYTELVDSN-UHFFFAOYSA-N -1 0 518.525 5.547 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409080470 1072123776 /nfs/dbraw/zinc/12/37/76/1072123776.db2.gz IBZXWNZKSRXQSE-VCHYOVAHSA-N -1 0 605.909 6.133 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079947 1072127469 /nfs/dbraw/zinc/12/74/69/1072127469.db2.gz GZYFQKAXZPABSE-CXUHLZMHSA-N -1 0 587.328 5.667 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079199 1072135351 /nfs/dbraw/zinc/13/53/51/1072135351.db2.gz ABAYRBYEJYQLME-YBFXNURJSA-N -1 0 555.465 5.698 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078954 1072139535 /nfs/dbraw/zinc/13/95/35/1072139535.db2.gz JLHMYYSWXHWVJH-CAOOACKPSA-N -1 0 701.779 6.729 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409079135 1072138232 /nfs/dbraw/zinc/13/82/32/1072138232.db2.gz KNRUISNHVUBIKK-VIZOYTHASA-N -1 0 734.073 7.360 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078774 1072140835 /nfs/dbraw/zinc/14/08/35/1072140835.db2.gz CYTUTKIIWOAQHW-LICLKQGHSA-N -1 0 610.726 6.488 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078438 1072146174 /nfs/dbraw/zinc/14/61/74/1072146174.db2.gz HXMQFDIRVBWVOB-BUVRLJJBSA-N -1 0 614.954 6.194 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077905 1072149660 /nfs/dbraw/zinc/14/96/60/1072149660.db2.gz BEAJZTRSEDYQOX-MKMNVTDBSA-N -1 0 724.067 7.904 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409087255 1072157823 /nfs/dbraw/zinc/15/78/23/1072157823.db2.gz BVNDRCCSJPWOJV-GIDUJCDVSA-N -1 0 577.720 5.922 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086260 1072168679 /nfs/dbraw/zinc/16/86/79/1072168679.db2.gz YVCXHGDOIINZHH-RQZCQDPDSA-N -1 0 638.324 6.373 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409085596 1072177198 /nfs/dbraw/zinc/17/71/98/1072177198.db2.gz DWHHVTIDRNDMCY-ZVHZXABRSA-N -1 0 505.617 6.077 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084307 1072189662 /nfs/dbraw/zinc/18/96/62/1072189662.db2.gz VDFLGYPNBWZDPU-LFVJCYFKSA-N -1 0 603.509 6.651 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084342 1072190211 /nfs/dbraw/zinc/19/02/11/1072190211.db2.gz WXZHFUDHGCQMQU-RQZCQDPDSA-N -1 0 654.779 6.887 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083161 1072202565 /nfs/dbraw/zinc/20/25/65/1072202565.db2.gz NQPDTAOUKJFAQK-RVDMUPIBSA-N -1 0 531.830 5.726 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409082829 1072208673 /nfs/dbraw/zinc/20/86/73/1072208673.db2.gz SWPQEPJRUIITSX-VCHYOVAHSA-N -1 0 627.360 5.132 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409082201 1072214908 /nfs/dbraw/zinc/21/49/08/1072214908.db2.gz ROWVOEUNELXCNV-RQZCQDPDSA-N -1 0 713.213 6.384 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082623 1072209631 /nfs/dbraw/zinc/20/96/31/1072209631.db2.gz SXIZRGUXEDAZBN-BUVRLJJBSA-N -1 0 659.405 6.303 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082403 1072213880 /nfs/dbraw/zinc/21/38/80/1072213880.db2.gz SGAXWPGAYJOHLV-RQZCQDPDSA-N -1 0 587.328 5.667 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082127 1072214452 /nfs/dbraw/zinc/21/44/52/1072214452.db2.gz LUEDNZHMJGZSQW-GZTJUZNOSA-N -1 0 576.281 5.835 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081554 1072221212 /nfs/dbraw/zinc/22/12/12/1072221212.db2.gz PXUUAXCQDKJABR-FRKPEAEDSA-N -1 0 701.779 6.647 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409081368 1072224969 /nfs/dbraw/zinc/22/49/69/1072224969.db2.gz PSSGBPWNZTUTLD-IWIPYMOSSA-N -1 0 618.427 6.089 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409096824 1072231804 /nfs/dbraw/zinc/23/18/04/1072231804.db2.gz LDAVOLMOQWWSCJ-BUVRLJJBSA-N -1 0 578.427 6.785 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1cccs1 ZINC000409327278 1072240961 /nfs/dbraw/zinc/24/09/61/1072240961.db2.gz IUVSNLRGXOGCBR-VCHYOVAHSA-N -1 0 551.549 6.014 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c1 ZINC000409095353 1072241075 /nfs/dbraw/zinc/24/10/75/1072241075.db2.gz HEYOJGUUWKUSHY-ZVBGSRNCSA-N -1 0 595.323 7.439 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409094541 1072244919 /nfs/dbraw/zinc/24/49/19/1072244919.db2.gz FPZDAMIHIPLJOU-BUVRLJJBSA-N -1 0 594.882 7.300 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409093662 1072250305 /nfs/dbraw/zinc/25/03/05/1072250305.db2.gz BNKWTWOIBOGEJK-OQLLNIDSSA-N -1 0 523.203 6.374 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409093036 1072257969 /nfs/dbraw/zinc/25/79/69/1072257969.db2.gz YSGATLVFCYWPHJ-NTEUORMPSA-N -1 0 566.275 6.379 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090953 1072276060 /nfs/dbraw/zinc/27/60/60/1072276060.db2.gz NZIXJAPURPASRB-GZTJUZNOSA-N -1 0 515.375 5.211 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091399 1072271785 /nfs/dbraw/zinc/27/17/85/1072271785.db2.gz QGAXDONRMXIXDI-RQZCQDPDSA-N -1 0 636.333 5.939 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409090270 1072283503 /nfs/dbraw/zinc/28/35/03/1072283503.db2.gz LVQXUDHIRJWBKH-LFIBNONCSA-N -1 0 545.857 6.034 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409089604 1072287454 /nfs/dbraw/zinc/28/74/54/1072287454.db2.gz NGBQFNIYUIFEGM-VGOFMYFVSA-N -1 0 703.649 7.559 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089355 1072290253 /nfs/dbraw/zinc/29/02/53/1072290253.db2.gz MDRYDTDUZRGCNO-RIYZIHGNSA-N -1 0 640.752 6.497 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089155 1072291193 /nfs/dbraw/zinc/29/11/93/1072291193.db2.gz HKMNUWNVOOHCSP-XNTDXEJSSA-N -1 0 610.726 6.488 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089025 1072292762 /nfs/dbraw/zinc/29/27/62/1072292762.db2.gz IEDXESORZARPON-LZYBPNLTSA-N -1 0 666.622 6.140 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)c(Br)c1O ZINC000409088244 1072301563 /nfs/dbraw/zinc/30/15/63/1072301563.db2.gz KNTOYHLPHVTTGO-YRNVUSSQSA-N -1 0 574.678 5.109 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409101343 1072315276 /nfs/dbraw/zinc/31/52/76/1072315276.db2.gz BHSKTONYNQNWTJ-FOKLQQMPSA-N -1 0 560.480 7.075 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)c1 ZINC000409099631 1072325499 /nfs/dbraw/zinc/32/54/99/1072325499.db2.gz RNTGIUZITVGNRC-CIAFOILYSA-N -1 0 516.427 6.676 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409100451 1072320179 /nfs/dbraw/zinc/32/01/79/1072320179.db2.gz NLZMEBWGDFIXRI-BWAHOGKJSA-N -1 0 612.900 8.438 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)SC2=S)c1 ZINC000409100154 1072322103 /nfs/dbraw/zinc/32/21/03/1072322103.db2.gz VBQASIMTMBFBPY-CIAFOILYSA-N -1 0 516.427 6.676 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)SC1=S ZINC000409098375 1072331629 /nfs/dbraw/zinc/33/16/29/1072331629.db2.gz PRWZCZFDHLVNKN-RQZCQDPDSA-N -1 0 547.279 6.011 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)SC2=S)c1 ZINC000409097612 1072335969 /nfs/dbraw/zinc/33/59/69/1072335969.db2.gz MUQOVLIGYDGKOM-SRZZPIQSSA-N -1 0 605.329 6.895 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409097532 1072336919 /nfs/dbraw/zinc/33/69/19/1072336919.db2.gz IWGCZQHTSAJFMY-WKULSOCRSA-N -1 0 595.765 6.410 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S)c1cccs1 ZINC000409334682 1072344938 /nfs/dbraw/zinc/34/49/38/1072344938.db2.gz VSFMZMVUQUVTMD-WQRHYEAKSA-N -1 0 534.065 6.007 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409104839 1072353566 /nfs/dbraw/zinc/35/35/66/1072353566.db2.gz IRTNETHIVQGPDD-GXDHUFHOSA-N -1 0 506.139 5.682 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409333032 1072356759 /nfs/dbraw/zinc/35/67/59/1072356759.db2.gz AVYNEDDPUSBWQA-IKDJVGDTSA-N -1 0 603.498 5.682 40 10 KKCBRM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000409102295 1072366949 /nfs/dbraw/zinc/36/69/49/1072366949.db2.gz RNSMUCXCHZGUCE-MTJSOVHGSA-N -1 0 526.954 5.372 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409116455 1072373156 /nfs/dbraw/zinc/37/31/56/1072373156.db2.gz MMSUAOBGBOUJPT-GZTJUZNOSA-N -1 0 547.236 6.138 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409329898 1072380567 /nfs/dbraw/zinc/38/05/67/1072380567.db2.gz INTDRRULAIJBTQ-VCHYOVAHSA-N -1 0 644.819 7.052 40 10 KKCBRM O=C(Cn1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409329908 1072381024 /nfs/dbraw/zinc/38/10/24/1072381024.db2.gz IRPJLTFVNFWBGE-MTJSOVHGSA-N -1 0 536.635 5.027 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329162 1072386202 /nfs/dbraw/zinc/38/62/02/1072386202.db2.gz DDZBQFPHRLPNET-HYARGMPZSA-N -1 0 553.687 5.019 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409107590 1072413365 /nfs/dbraw/zinc/41/33/65/1072413365.db2.gz SJVFUDWZJOAKQR-DIBXZPPDSA-N -1 0 619.102 7.513 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409346638 1072415083 /nfs/dbraw/zinc/41/50/83/1072415083.db2.gz OAJKIMXZBOPPQY-UDWIEESQSA-N -1 0 565.525 6.579 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409346146 1072418008 /nfs/dbraw/zinc/41/80/08/1072418008.db2.gz NHPZNKIRVBIJJC-BUVRLJJBSA-N -1 0 532.668 6.035 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000409122629 1072421016 /nfs/dbraw/zinc/42/10/16/1072421016.db2.gz AKBOUSITUDCGGK-XDHOZWIPSA-N -1 0 575.456 5.096 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409345581 1072423286 /nfs/dbraw/zinc/42/32/86/1072423286.db2.gz JLOSDGYFJUQQOZ-CIAFOILYSA-N -1 0 565.525 6.579 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)cc1 ZINC000409121973 1072423498 /nfs/dbraw/zinc/42/34/98/1072423498.db2.gz ZMWMZASNTKUKOU-HYARGMPZSA-N -1 0 543.048 5.382 40 10 KKCBRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409121309 1072426411 /nfs/dbraw/zinc/42/64/11/1072426411.db2.gz XWZBFZBJLJIUCB-NTNOMAAHSA-N -1 0 648.785 5.371 40 10 KKCBRM Cc1ccc(NC(=O)c2c([N-]S(=O)(=O)c3cccc4cccc(Cl)c43)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409120895 1072429243 /nfs/dbraw/zinc/42/92/43/1072429243.db2.gz UKKWNMTZRKPJBB-HXUWFJFHSA-N -1 0 567.176 8.067 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409344333 1072432259 /nfs/dbraw/zinc/43/22/59/1072432259.db2.gz IQGDPUUXZOLXQY-BUVRLJJBSA-N -1 0 581.741 5.834 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409343260 1072443007 /nfs/dbraw/zinc/44/30/07/1072443007.db2.gz DFXVFQSLONSJCD-UDWIEESQSA-N -1 0 620.528 5.943 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409127269 1072447133 /nfs/dbraw/zinc/44/71/33/1072447133.db2.gz CTVRCLWRFWHMRF-YDZHTSKRSA-N -1 0 579.049 5.695 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409342592 1072447555 /nfs/dbraw/zinc/44/75/55/1072447555.db2.gz DQRNVNDEFCIERW-GIJQJNRQSA-N -1 0 555.258 7.120 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1OC ZINC000409126938 1072448179 /nfs/dbraw/zinc/44/81/79/1072448179.db2.gz PTMRDZODQIEUCH-PXLXIMEGSA-N -1 0 597.437 5.627 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409126263 1072454423 /nfs/dbraw/zinc/45/44/23/1072454423.db2.gz OFVAYAWVJLXPBI-HYARGMPZSA-N -1 0 534.996 5.378 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409125383 1072460244 /nfs/dbraw/zinc/46/02/44/1072460244.db2.gz MFCWULNMRDEGQQ-WPWMEQJKSA-N -1 0 515.638 6.291 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1OC ZINC000409124756 1072463878 /nfs/dbraw/zinc/46/38/78/1072463878.db2.gz CKQAMELZIISPEU-OVVQPSECSA-N -1 0 568.601 6.017 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409124177 1072467359 /nfs/dbraw/zinc/46/73/59/1072467359.db2.gz JPWAMVKWIMHFIY-OEAKJJBVSA-N -1 0 510.575 5.046 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409136387 1072479149 /nfs/dbraw/zinc/47/91/49/1072479149.db2.gz YUBVPEAYFQDFLC-CVKSISIWSA-N -1 0 615.082 6.540 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409135450 1072484890 /nfs/dbraw/zinc/48/48/90/1072484890.db2.gz QYWHNTDPFLLSDF-YDZHTSKRSA-N -1 0 597.039 5.916 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409133774 1072497707 /nfs/dbraw/zinc/49/77/07/1072497707.db2.gz RRNNQIISTNNTID-YDZHTSKRSA-N -1 0 641.490 6.025 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409133506 1072497750 /nfs/dbraw/zinc/49/77/50/1072497750.db2.gz MSNUFYRTKZBEKV-JFLMPSFJSA-N -1 0 604.559 7.428 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OCC)C2=O)cc1OC ZINC000409132438 1072504731 /nfs/dbraw/zinc/50/47/31/1072504731.db2.gz ZVBDRSLCZKJBSG-GZTJUZNOSA-N -1 0 596.272 5.070 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000409355729 1072506147 /nfs/dbraw/zinc/50/61/47/1072506147.db2.gz KKNPTTPRZIDLIW-MHWRWJLKSA-N -1 0 552.219 5.066 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409128974 1072523245 /nfs/dbraw/zinc/52/32/45/1072523245.db2.gz SYXSLBIOQGXZOG-LPYMAVHISA-N -1 0 609.473 5.496 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409351466 1072536293 /nfs/dbraw/zinc/53/62/93/1072536293.db2.gz UMWWKMKVRWKDIT-BUVRLJJBSA-N -1 0 625.591 7.188 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccccc1F ZINC000409350670 1072541362 /nfs/dbraw/zinc/54/13/62/1072541362.db2.gz YRLOPMMHJVZMOD-FYJGNVAPSA-N -1 0 514.625 5.411 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409143159 1072542115 /nfs/dbraw/zinc/54/21/15/1072542115.db2.gz ZIHFYCDXKNFDFS-WSDLNYQXSA-N -1 0 701.470 5.246 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409141281 1072553980 /nfs/dbraw/zinc/55/39/80/1072553980.db2.gz UXFSDCZVNRUPIS-LPYMAVHISA-N -1 0 648.337 6.794 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000409140281 1072559936 /nfs/dbraw/zinc/55/99/36/1072559936.db2.gz QZUKCHFUATTWGG-LPYMAVHISA-N -1 0 613.892 6.141 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409140002 1072561457 /nfs/dbraw/zinc/56/14/57/1072561457.db2.gz CQRMVEHZSBSIEY-IMRQLAEWSA-N -1 0 505.643 6.209 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409139374 1072564837 /nfs/dbraw/zinc/56/48/37/1072564837.db2.gz NFQCSPYKSPPMQU-LPYMAVHISA-N -1 0 603.886 6.685 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364541 1072583555 /nfs/dbraw/zinc/58/35/55/1072583555.db2.gz QDSKGMUWOOIRFZ-DJKKODMXSA-N -1 0 663.827 5.085 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409145628 1072585633 /nfs/dbraw/zinc/58/56/33/1072585633.db2.gz RCBHWPKCEHHFSB-UFFVCSGVSA-N -1 0 725.363 6.645 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409361242 1072602357 /nfs/dbraw/zinc/60/23/57/1072602357.db2.gz BMIGUOCIVPEGHS-QQXSKIMKSA-N -1 0 644.453 5.851 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409154575 1072605029 /nfs/dbraw/zinc/60/50/29/1072605029.db2.gz OOQIAZAFCSYHQH-UDCNLSRBSA-N -1 0 589.313 8.177 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409154175 1072607845 /nfs/dbraw/zinc/60/78/45/1072607845.db2.gz MXOSGRZHQLHMNZ-YPCDYVTLSA-N -1 0 520.423 6.870 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409377314 1072625485 /nfs/dbraw/zinc/62/54/85/1072625485.db2.gz GDHNHLZWTMBBNG-LPYMAVHISA-N -1 0 564.063 5.068 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151097 1072625429 /nfs/dbraw/zinc/62/54/29/1072625429.db2.gz GHLJNHDXPUQZRN-DGUDUIIESA-N -1 0 589.313 8.177 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409151093 1072625509 /nfs/dbraw/zinc/62/55/09/1072625509.db2.gz GHLJNHDXPUQZRN-ANSQWYIGSA-N -1 0 589.313 8.177 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)cc1 ZINC000409376905 1072626641 /nfs/dbraw/zinc/62/66/41/1072626641.db2.gz BTKKLMPELCKTDJ-SFQUDFHCSA-N -1 0 515.816 5.756 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409376800 1072627293 /nfs/dbraw/zinc/62/72/93/1072627293.db2.gz BHIXNUOEOFJPOZ-LPYMAVHISA-N -1 0 612.489 5.581 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000409376829 1072627930 /nfs/dbraw/zinc/62/79/30/1072627930.db2.gz BOAXYTZKBVSXHU-LPYMAVHISA-N -1 0 626.504 5.398 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409376639 1072628112 /nfs/dbraw/zinc/62/81/12/1072628112.db2.gz CBXKBZADXOBNPB-SRZZPIQSSA-N -1 0 642.890 5.502 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409374980 1072634835 /nfs/dbraw/zinc/63/48/35/1072634835.db2.gz CMSLNTJTGPGFAM-FYJGNVAPSA-N -1 0 555.881 6.075 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409374664 1072636348 /nfs/dbraw/zinc/63/63/48/1072636348.db2.gz WBTQOSMGYMEAGR-VCHYOVAHSA-N -1 0 559.800 5.335 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409374665 1072636949 /nfs/dbraw/zinc/63/69/49/1072636949.db2.gz WBUZTACZPJHMMD-CAOOACKPSA-N -1 0 594.245 5.989 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409370695 1072652867 /nfs/dbraw/zinc/65/28/67/1072652867.db2.gz TVAHLLNOZGZLHC-VCHYOVAHSA-N -1 0 586.403 5.524 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccccc4Cl)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409369488 1072658409 /nfs/dbraw/zinc/65/84/09/1072658409.db2.gz BZVDCKZCPMNDRM-KOEQRZSOSA-N -1 0 527.045 6.466 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409162049 1072673101 /nfs/dbraw/zinc/67/31/01/1072673101.db2.gz CFFCSOKPLKCUMV-UNVFRBQDSA-N -1 0 589.313 8.177 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160411 1072682384 /nfs/dbraw/zinc/68/23/84/1072682384.db2.gz WYLJNVVWUPUHSW-DGUDUIIESA-N -1 0 554.868 7.523 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409385669 1072690979 /nfs/dbraw/zinc/69/09/79/1072690979.db2.gz JAFUBTFVLXVASS-OEAKJJBVSA-N -1 0 669.541 5.410 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409385779 1072691705 /nfs/dbraw/zinc/69/17/05/1072691705.db2.gz IWBXOGZDXWUFKT-LPYMAVHISA-N -1 0 583.479 5.960 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409384534 1072697899 /nfs/dbraw/zinc/69/78/99/1072697899.db2.gz CRRMYLMNSRVILO-CIAFOILYSA-N -1 0 541.456 5.975 40 10 KKCBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409383535 1072701844 /nfs/dbraw/zinc/70/18/44/1072701844.db2.gz WKNAJGWLBYSZKU-GFQQVXNGSA-N -1 0 523.836 5.120 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409383597 1072702307 /nfs/dbraw/zinc/70/23/07/1072702307.db2.gz XXOQJNKEXDXMSK-AQTBWJFISA-N -1 0 598.837 5.103 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409382987 1072705162 /nfs/dbraw/zinc/70/51/62/1072705162.db2.gz SMBXCNTXOMKISR-WGOQTCKBSA-N -1 0 571.098 6.865 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409380898 1072715437 /nfs/dbraw/zinc/71/54/37/1072715437.db2.gz BRWYVGNZQZRRQP-RQZCQDPDSA-N -1 0 572.376 5.133 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409380649 1072717208 /nfs/dbraw/zinc/71/72/08/1072717208.db2.gz AMKHKWZYDPDVEX-DEDYPNTBSA-N -1 0 586.426 5.403 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1Cl ZINC000409380446 1072717715 /nfs/dbraw/zinc/71/77/15/1072717715.db2.gz DOWBEIMNUNQHRM-WOJGMQOQSA-N -1 0 586.801 5.234 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000409380215 1072719299 /nfs/dbraw/zinc/71/92/99/1072719299.db2.gz KPDDORNXXVOOKS-DEDYPNTBSA-N -1 0 626.435 5.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409380058 1072720088 /nfs/dbraw/zinc/72/00/88/1072720088.db2.gz GNTKEGAPEMEJJA-OEAKJJBVSA-N -1 0 579.516 6.129 40 10 KKCBRM COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)o1 ZINC000409394194 1072723605 /nfs/dbraw/zinc/72/36/05/1072723605.db2.gz WZYVDLRKKPXUML-VCHYOVAHSA-N -1 0 538.343 5.042 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409394090 1072724002 /nfs/dbraw/zinc/72/40/02/1072724002.db2.gz VMOJZDRQYMSJOI-RWPZCVJISA-N -1 0 520.633 5.623 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(=O)[N-]C1=S ZINC000409172759 1072732620 /nfs/dbraw/zinc/73/26/20/1072732620.db2.gz IFMHOTYAKOSLAN-GZTJUZNOSA-N -1 0 500.407 5.241 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409387432 1072743159 /nfs/dbraw/zinc/74/31/59/1072743159.db2.gz QHXOTZHOTXNYNC-CIAFOILYSA-N -1 0 643.459 5.181 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409400466 1072745760 /nfs/dbraw/zinc/74/57/60/1072745760.db2.gz RJDRADLYAGKPFR-ZDLGFXPLSA-N -1 0 562.645 5.905 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409400114 1072746605 /nfs/dbraw/zinc/74/66/05/1072746605.db2.gz OYCZBBYWVQLFCB-WQRHYEAKSA-N -1 0 635.696 5.353 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000409399673 1072748191 /nfs/dbraw/zinc/74/81/91/1072748191.db2.gz LQKLALRAZLDQPQ-PXNMLYILSA-N -1 0 691.090 6.243 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409399258 1072750179 /nfs/dbraw/zinc/75/01/79/1072750179.db2.gz HFEZLWLRGMBBSV-BWAHOGKJSA-N -1 0 536.657 5.748 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)CC ZINC000409399063 1072751002 /nfs/dbraw/zinc/75/10/02/1072751002.db2.gz FOFIWZXEDVOENR-RERGGYADSA-N -1 0 538.236 5.249 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409167686 1072758469 /nfs/dbraw/zinc/75/84/69/1072758469.db2.gz JSEWDGDBJAGSGG-KCYKTTMJSA-N -1 0 609.731 8.522 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186512 1072761632 /nfs/dbraw/zinc/76/16/32/1072761632.db2.gz DCJDZCYHGMHNDF-DJKKODMXSA-N -1 0 600.219 5.186 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000409405597 1072762110 /nfs/dbraw/zinc/76/21/10/1072762110.db2.gz IAQPFUUEKITZKC-BKUYFWCQSA-N -1 0 507.384 5.197 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186069 1072763190 /nfs/dbraw/zinc/76/31/90/1072763190.db2.gz WEMWIZWAEAGRCF-NLGSNDKTSA-N -1 0 671.775 7.346 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)cc(I)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185942 1072765029 /nfs/dbraw/zinc/76/50/29/1072765029.db2.gz SYGHTOLIZCFZRE-VRKORRMZSA-N -1 0 815.471 6.995 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185899 1072768027 /nfs/dbraw/zinc/76/80/27/1072768027.db2.gz SHDIYFDPQGAXBC-NYYQTREMSA-N -1 0 727.839 7.366 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409404167 1072768186 /nfs/dbraw/zinc/76/81/86/1072768186.db2.gz CQDKIBPYYIQGFB-NDENLUEZSA-N -1 0 572.253 5.651 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185711 1072768904 /nfs/dbraw/zinc/76/89/04/1072768904.db2.gz OXRNQHUSPXKHKG-DOKVMJHNSA-N -1 0 692.193 7.691 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185738 1072769410 /nfs/dbraw/zinc/76/94/10/1072769410.db2.gz PGDDTIAHYXVHSK-BSPUBTSWSA-N -1 0 744.664 6.704 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185586 1072770254 /nfs/dbraw/zinc/77/02/54/1072770254.db2.gz MWQJYXDNSCSYQH-YKBWLXFDSA-N -1 0 671.775 7.346 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184823 1072774452 /nfs/dbraw/zinc/77/44/52/1072774452.db2.gz HYGYIJQWKXIHOS-VNYHAFIISA-N -1 0 692.193 7.691 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409401737 1072779290 /nfs/dbraw/zinc/77/92/90/1072779290.db2.gz ZIBWJARBPHKTBA-ZDLGFXPLSA-N -1 0 565.194 5.638 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000409410110 1072807148 /nfs/dbraw/zinc/80/71/48/1072807148.db2.gz TZHJDKDDGDDQIT-RUWBGJHDSA-N -1 0 613.218 5.200 40 10 KKCBRM CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409179498 1072809053 /nfs/dbraw/zinc/80/90/53/1072809053.db2.gz PDYGQKXANSYXMK-MTJSOVHGSA-N -1 0 510.955 5.536 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000409408729 1072813653 /nfs/dbraw/zinc/81/36/53/1072813653.db2.gz LDVFGNHGFJKUCU-XDHOZWIPSA-N -1 0 556.210 5.201 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1OCC ZINC000409192381 1072825515 /nfs/dbraw/zinc/82/55/15/1072825515.db2.gz BXEBEXKFYCQKTM-TURZUDJPSA-N -1 0 582.628 6.407 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409196844 1072829761 /nfs/dbraw/zinc/82/97/61/1072829761.db2.gz ZHOVUZICYKFLHU-BUVRLJJBSA-N -1 0 701.592 5.773 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409195035 1072839143 /nfs/dbraw/zinc/83/91/43/1072839143.db2.gz SQEMNFRDRROOKM-BUVRLJJBSA-N -1 0 607.501 6.186 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409193734 1072848455 /nfs/dbraw/zinc/84/84/55/1072848455.db2.gz LSQBLGSEORYBHR-WSDLNYQXSA-N -1 0 741.260 7.947 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409192694 1072853998 /nfs/dbraw/zinc/85/39/98/1072853998.db2.gz FIAZXTQQLFTMQG-TURZUDJPSA-N -1 0 643.534 7.031 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409191036 1072864488 /nfs/dbraw/zinc/86/44/88/1072864488.db2.gz RMGWUVVUQGERNI-XYGWBWBKSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)C2=O)cc1OCC ZINC000409191159 1072865079 /nfs/dbraw/zinc/86/50/79/1072865079.db2.gz UALOQCXFAUZPLO-CEUNXORHSA-N -1 0 564.638 6.268 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCCC)C2=O)cc1OCC ZINC000409190471 1072868792 /nfs/dbraw/zinc/86/87/92/1072868792.db2.gz OEQJTOILDPDVLG-CPNJWEJPSA-N -1 0 535.424 5.632 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OCC ZINC000409190559 1072869235 /nfs/dbraw/zinc/86/92/35/1072869235.db2.gz SECBRGZJXYWQCO-HZHRSRAPSA-N -1 0 736.435 6.137 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409189970 1072873225 /nfs/dbraw/zinc/87/32/25/1072873225.db2.gz ORBWJVIOSNMYDJ-FSJBWODESA-N -1 0 753.417 7.425 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189170 1072877896 /nfs/dbraw/zinc/87/78/96/1072877896.db2.gz DTNBFQHUKAUGPL-BUVRLJJBSA-N -1 0 562.594 5.263 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188932 1072879859 /nfs/dbraw/zinc/87/98/59/1072879859.db2.gz KTZYJOYOMOISAA-OEAKJJBVSA-N -1 0 677.559 6.009 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)C1=O ZINC000409188282 1072882573 /nfs/dbraw/zinc/88/25/73/1072882573.db2.gz YGKJYIDRNSMNIS-UDWIEESQSA-N -1 0 570.237 5.765 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409188542 1072882640 /nfs/dbraw/zinc/88/26/40/1072882640.db2.gz CVJHOGUNYFJEJC-LFVJCYFKSA-N -1 0 672.370 6.640 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188049 1072884636 /nfs/dbraw/zinc/88/46/36/1072884636.db2.gz FKSCZVVJEUQHOW-YZSQISJMSA-N -1 0 572.658 5.822 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)cc1 ZINC000409187933 1072885062 /nfs/dbraw/zinc/88/50/62/1072885062.db2.gz VTPLTKZHYAWWIT-LPYMAVHISA-N -1 0 584.264 6.019 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409187932 1072885363 /nfs/dbraw/zinc/88/53/63/1072885363.db2.gz DHTXVOYIAMAIOK-OEAKJJBVSA-N -1 0 690.360 6.779 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCCC)c(Br)c3)C2=O)cc1OCC ZINC000409187768 1072885774 /nfs/dbraw/zinc/88/57/74/1072885774.db2.gz BURVONZMTVLXLP-WOJGMQOQSA-N -1 0 624.326 5.850 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000409205747 1072896776 /nfs/dbraw/zinc/89/67/76/1072896776.db2.gz JVISFIQJOQJDKZ-MHWRWJLKSA-N -1 0 562.500 5.697 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000409207712 1072940768 /nfs/dbraw/zinc/94/07/68/1072940768.db2.gz YAZBDQIGAWNLKQ-HAHDFKILSA-N -1 0 519.602 5.151 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409217167 1072943242 /nfs/dbraw/zinc/94/32/42/1072943242.db2.gz ABJMLYVLITUGQS-VXLYETTFSA-N -1 0 602.814 5.117 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409216395 1072946618 /nfs/dbraw/zinc/94/66/18/1072946618.db2.gz KTICARLZNJXSHB-MTJSOVHGSA-N -1 0 511.397 5.791 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409226565 1072973534 /nfs/dbraw/zinc/97/35/34/1072973534.db2.gz UVTOKXQEIQKMEM-LPYMAVHISA-N -1 0 715.395 6.391 40 10 KKCBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000409225807 1072976924 /nfs/dbraw/zinc/97/69/24/1072976924.db2.gz LJZHCPRFQAXBII-YDZHTSKRSA-N -1 0 500.023 5.791 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225649 1072977353 /nfs/dbraw/zinc/97/73/53/1072977353.db2.gz QNPKZUQLSQXCSL-YBFXNURJSA-N -1 0 647.309 6.147 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409225463 1072978743 /nfs/dbraw/zinc/97/87/43/1072978743.db2.gz QYZIYFWAQSIHNW-QGMBQPNBSA-N -1 0 678.677 5.457 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1 ZINC000409225461 1072978780 /nfs/dbraw/zinc/97/87/80/1072978780.db2.gz QYDZGUNZKJWJRX-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409224791 1072981139 /nfs/dbraw/zinc/98/11/39/1072981139.db2.gz LWJNKHDBMMMKLS-DJKKODMXSA-N -1 0 619.255 5.448 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)c(Br)c1 ZINC000409224734 1072982304 /nfs/dbraw/zinc/98/23/04/1072982304.db2.gz IURDYMLJHIWMDB-XNTDXEJSSA-N -1 0 520.166 5.991 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409224413 1072983866 /nfs/dbraw/zinc/98/38/66/1072983866.db2.gz LGLSCCJFLXKVPF-LPYMAVHISA-N -1 0 686.943 5.983 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409223911 1072985367 /nfs/dbraw/zinc/98/53/67/1072985367.db2.gz HNUWMJHMANZGIC-GIJQJNRQSA-N -1 0 579.223 5.984 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223628 1072986827 /nfs/dbraw/zinc/98/68/27/1072986827.db2.gz HIMIIRSZFXEIDK-VXLYETTFSA-N -1 0 619.255 5.448 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1 ZINC000409223182 1072988778 /nfs/dbraw/zinc/98/87/78/1072988778.db2.gz FOKZCUHDTJUUDM-SRZZPIQSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000409222830 1072991300 /nfs/dbraw/zinc/99/13/00/1072991300.db2.gz DGOQFYMZGHYYNP-CIAFOILYSA-N -1 0 657.315 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409222289 1072993268 /nfs/dbraw/zinc/99/32/68/1072993268.db2.gz CGDGHPPQJJNDOB-BUVRLJJBSA-N -1 0 727.552 5.870 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409222157 1072994541 /nfs/dbraw/zinc/99/45/41/1072994541.db2.gz BXCCPGSWEHVWCH-HYARGMPZSA-N -1 0 612.466 5.865 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409222055 1072995554 /nfs/dbraw/zinc/99/55/54/1072995554.db2.gz AAQDRLOOTXWJIR-HZHRSRAPSA-N -1 0 592.048 5.520 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409220447 1073004406 /nfs/dbraw/zinc/00/44/06/1073004406.db2.gz ZTRFIMXZYMWOSG-YBFXNURJSA-N -1 0 602.858 6.038 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409218968 1073010126 /nfs/dbraw/zinc/01/01/26/1073010126.db2.gz LXSZTYSSZPHLKO-KEBDBYFISA-N -1 0 680.282 5.681 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c1 ZINC000409218789 1073011126 /nfs/dbraw/zinc/01/11/26/1073011126.db2.gz HAWLGLOEXHCPEN-JMIUGGIZSA-N -1 0 546.782 5.980 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1 ZINC000409218273 1073013209 /nfs/dbraw/zinc/01/32/09/1073013209.db2.gz DYMVFMSSSYHCLI-VXLYETTFSA-N -1 0 542.350 5.125 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000409217609 1073014935 /nfs/dbraw/zinc/01/49/35/1073014935.db2.gz DQSVFUIQMJBFPN-LPYMAVHISA-N -1 0 689.890 5.426 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409217330 1073015827 /nfs/dbraw/zinc/01/58/27/1073015827.db2.gz BIZLAQVSUDBDNS-GIJQJNRQSA-N -1 0 714.727 6.334 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409230051 1073016101 /nfs/dbraw/zinc/01/61/01/1073016101.db2.gz AZMTUIAEXKIFBM-OEAKJJBVSA-N -1 0 500.023 5.791 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC(C)C ZINC000409229294 1073021230 /nfs/dbraw/zinc/02/12/30/1073021230.db2.gz MUIHLMKLGIEUPO-LZYBPNLTSA-N -1 0 537.863 5.428 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409229270 1073022822 /nfs/dbraw/zinc/02/28/22/1073022822.db2.gz MKVXJERCUMQSEO-GFQQVXNGSA-N -1 0 527.362 5.477 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C1=O ZINC000409228723 1073025382 /nfs/dbraw/zinc/02/53/82/1073025382.db2.gz DCDFXTCRXKSCRU-HFTWOUSFSA-N -1 0 632.514 7.639 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409228419 1073026517 /nfs/dbraw/zinc/02/65/17/1073026517.db2.gz YTCZTJYGCGFNIT-ZVHZXABRSA-N -1 0 519.548 6.097 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409236855 1073036334 /nfs/dbraw/zinc/03/63/34/1073036334.db2.gz HNOALCHMSBRLEK-JFLMPSFJSA-N -1 0 570.158 7.047 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409232512 1073060157 /nfs/dbraw/zinc/06/01/57/1073060157.db2.gz QLPNQXSRICMKDO-LPYMAVHISA-N -1 0 541.551 5.121 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409231868 1073063826 /nfs/dbraw/zinc/06/38/26/1073063826.db2.gz LELQHLYQVKUDQL-PCLIKHOPSA-N -1 0 587.057 6.782 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000409230603 1073068546 /nfs/dbraw/zinc/06/85/46/1073068546.db2.gz ZXXCHGHZWCWNMX-DEDYPNTBSA-N -1 0 516.966 5.083 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409245430 1073084350 /nfs/dbraw/zinc/08/43/50/1073084350.db2.gz SWHVPVZTGOPUHW-JVWAILMASA-N -1 0 625.663 6.658 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1C ZINC000409244992 1073086560 /nfs/dbraw/zinc/08/65/60/1073086560.db2.gz LWKAFACVKZVQIS-BUVRLJJBSA-N -1 0 515.635 5.144 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409244020 1073091087 /nfs/dbraw/zinc/09/10/87/1073091087.db2.gz WLNSBMNOKQRIAQ-CVKSISIWSA-N -1 0 536.056 6.636 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409242889 1073094827 /nfs/dbraw/zinc/09/48/27/1073094827.db2.gz WNONDNKHFAGEFA-YZSQISJMSA-N -1 0 556.087 6.466 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409242785 1073095537 /nfs/dbraw/zinc/09/55/37/1073095537.db2.gz TXBHOLKFTHGYLM-RGVLZGJSSA-N -1 0 562.411 6.015 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409242857 1073095867 /nfs/dbraw/zinc/09/58/67/1073095867.db2.gz WGGSULOQMBNSOM-GIJQJNRQSA-N -1 0 518.853 6.194 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409242167 1073097772 /nfs/dbraw/zinc/09/77/72/1073097772.db2.gz NEAJVXHNTCEMJI-CVKSISIWSA-N -1 0 574.077 6.605 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000409241102 1073104703 /nfs/dbraw/zinc/10/47/03/1073104703.db2.gz IRBDMWSOYSXURM-YBFXNURJSA-N -1 0 561.910 6.801 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409240877 1073105173 /nfs/dbraw/zinc/10/51/73/1073105173.db2.gz QMHALQBHJWCUJN-KEBDBYFISA-N -1 0 548.384 5.707 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409240944 1073105732 /nfs/dbraw/zinc/10/57/32/1073105732.db2.gz VPWZDWAYJITVTQ-MJOIQJIUSA-N -1 0 537.863 5.428 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409240946 1073105771 /nfs/dbraw/zinc/10/57/71/1073105771.db2.gz VPWZDWAYJITVTQ-WJHGTXIHSA-N -1 0 537.863 5.428 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409240401 1073107823 /nfs/dbraw/zinc/10/78/23/1073107823.db2.gz KIJAZQSFEGFBPD-WPWMEQJKSA-N -1 0 515.638 6.291 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409239671 1073112412 /nfs/dbraw/zinc/11/24/12/1073112412.db2.gz DATSNFUUVDLKCV-MFKUBSTISA-N -1 0 611.636 6.151 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC(C)C ZINC000409239517 1073113445 /nfs/dbraw/zinc/11/34/45/1073113445.db2.gz NOGASBLIEPMPIM-LICLKQGHSA-N -1 0 517.445 5.083 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409238605 1073119822 /nfs/dbraw/zinc/11/98/22/1073119822.db2.gz KLYRGDJVZCEFFN-GGNJANJASA-N -1 0 557.388 5.485 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409238094 1073122354 /nfs/dbraw/zinc/12/23/54/1073122354.db2.gz BYYVNLXXXGYNHJ-KEBDBYFISA-N -1 0 575.859 5.492 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1Cl ZINC000409237851 1073124849 /nfs/dbraw/zinc/12/48/49/1073124849.db2.gz JYJQVVLLIMYQHU-VEILYXNESA-N -1 0 653.001 8.367 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)Nc1ccccc1Cl ZINC000409251431 1073128188 /nfs/dbraw/zinc/12/81/88/1073128188.db2.gz PTNFSOWPCQOVKH-BOPFTXTBSA-N -1 0 544.778 5.331 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1OC ZINC000409251284 1073129962 /nfs/dbraw/zinc/12/99/62/1073129962.db2.gz PFWIOQLJMARUMI-XKZIYDEJSA-N -1 0 713.525 5.398 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409251008 1073132298 /nfs/dbraw/zinc/13/22/98/1073132298.db2.gz NUEBQRATDHNHTH-HMAPJEAMSA-N -1 0 608.047 5.220 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c(C)c1 ZINC000409250495 1073134870 /nfs/dbraw/zinc/13/48/70/1073134870.db2.gz MMWPRIMTZPJQFX-PKAZHMFMSA-N -1 0 654.517 6.329 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1 ZINC000409250364 1073135449 /nfs/dbraw/zinc/13/54/49/1073135449.db2.gz KKXINSAPNNRNOI-HYARGMPZSA-N -1 0 622.472 5.239 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1C ZINC000409249933 1073139144 /nfs/dbraw/zinc/13/91/44/1073139144.db2.gz JYJQQYNQWPTVHV-PKAZHMFMSA-N -1 0 654.517 6.329 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)c3ccccc32)cc1 ZINC000409248740 1073146181 /nfs/dbraw/zinc/14/61/81/1073146181.db2.gz IIMJPSXWIUOEPP-KGENOOAVSA-N -1 0 529.021 5.073 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409248607 1073147027 /nfs/dbraw/zinc/14/70/27/1073147027.db2.gz FATKCHNAFJXMOX-NDENLUEZSA-N -1 0 687.918 5.952 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409248509 1073148399 /nfs/dbraw/zinc/14/83/99/1073148399.db2.gz GWNJLHZBBLVIKD-HZHRSRAPSA-N -1 0 666.525 5.719 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)o2)c1 ZINC000409248178 1073150168 /nfs/dbraw/zinc/15/01/68/1073150168.db2.gz GPIYOAADBNAPGG-VXLYETTFSA-N -1 0 517.346 5.627 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409256611 1073155278 /nfs/dbraw/zinc/15/52/78/1073155278.db2.gz MJRZJCGBGULUPJ-RQZCQDPDSA-N -1 0 588.831 5.648 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1C ZINC000409257001 1073159399 /nfs/dbraw/zinc/15/93/99/1073159399.db2.gz NIHHIEKSPJXZQE-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409256154 1073161826 /nfs/dbraw/zinc/16/18/26/1073161826.db2.gz KEONERBSWRJJDR-DEDYPNTBSA-N -1 0 733.943 5.825 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1OC ZINC000409255715 1073164868 /nfs/dbraw/zinc/16/48/68/1073164868.db2.gz IMOAPJUSNAEVEL-HMAPJEAMSA-N -1 0 636.499 5.547 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OCC ZINC000409254829 1073171036 /nfs/dbraw/zinc/17/10/36/1073171036.db2.gz FWGPUCQGFLOILD-LFVJCYFKSA-N -1 0 606.075 5.828 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)C1=O ZINC000409254568 1073171383 /nfs/dbraw/zinc/17/13/83/1073171383.db2.gz IXDRKPGMLVVEBK-ATVHPVEESA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1C ZINC000409254428 1073172855 /nfs/dbraw/zinc/17/28/55/1073172855.db2.gz INJZADWBZWEUQB-JJFYIABZSA-N -1 0 655.343 6.129 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409254381 1073174248 /nfs/dbraw/zinc/17/42/48/1073174248.db2.gz WZYQRFLIOVSYOJ-MTJSOVHGSA-N -1 0 512.462 6.356 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409253748 1073179185 /nfs/dbraw/zinc/17/91/85/1073179185.db2.gz BZGBYAHNUPLHNJ-WQRHYEAKSA-N -1 0 659.864 5.254 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OC ZINC000409253363 1073182509 /nfs/dbraw/zinc/18/25/09/1073182509.db2.gz FSRQIJZPSUSLMP-QRVIBDJDSA-N -1 0 666.525 5.556 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409252867 1073184613 /nfs/dbraw/zinc/18/46/13/1073184613.db2.gz YCBSFNGJNJHASH-RGVLZGJSSA-N -1 0 574.411 6.847 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409252545 1073186638 /nfs/dbraw/zinc/18/66/38/1073186638.db2.gz TWFQFFLYOOJUOF-DHDCSXOGSA-N -1 0 623.674 6.093 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1C ZINC000409251897 1073191394 /nfs/dbraw/zinc/19/13/94/1073191394.db2.gz AGCKNKBZHAQYJG-AWQFTUOYSA-N -1 0 586.859 6.256 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1OC ZINC000409251875 1073191417 /nfs/dbraw/zinc/19/14/17/1073191417.db2.gz ACYOGXGYTAEBLZ-STZFKDTASA-N -1 0 622.472 5.239 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409251718 1073192218 /nfs/dbraw/zinc/19/22/18/1073192218.db2.gz BHGRXSXRNVUCKC-SRZZPIQSSA-N -1 0 660.938 6.827 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251593 1073193157 /nfs/dbraw/zinc/19/31/57/1073193157.db2.gz ANIARFUHIFJNDE-JMIUGGIZSA-N -1 0 616.885 6.346 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409265248 1073194431 /nfs/dbraw/zinc/19/44/31/1073194431.db2.gz ROMZEFSFHHSORN-SSDVNMTOSA-N -1 0 596.467 6.001 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409265325 1073194881 /nfs/dbraw/zinc/19/48/81/1073194881.db2.gz HNUNRPAFVMJUAW-MOSHPQCFSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1C ZINC000409265328 1073194917 /nfs/dbraw/zinc/19/49/17/1073194917.db2.gz HORNBWWBPAEBRF-UNOMPAQXSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409262905 1073195261 /nfs/dbraw/zinc/19/52/61/1073195261.db2.gz JKHZTVCVGYLACE-KEBDBYFISA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)C1=O ZINC000409267174 1073197137 /nfs/dbraw/zinc/19/71/37/1073197137.db2.gz TUOATXDHETUZKG-DHDCSXOGSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409266976 1073197572 /nfs/dbraw/zinc/19/75/72/1073197572.db2.gz ZLJFKUMZDLQEOP-JAIQZWGSSA-N -1 0 647.707 5.857 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002403905 1073200066 /nfs/dbraw/zinc/20/00/66/1073200066.db2.gz ROJMVYFBZVQNJI-BKUYFWCQSA-N -1 0 541.982 5.753 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409266765 1073200169 /nfs/dbraw/zinc/20/01/69/1073200169.db2.gz YHJBMDPPCILRIR-WOJGMQOQSA-N -1 0 544.778 5.331 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409265766 1073206038 /nfs/dbraw/zinc/20/60/38/1073206038.db2.gz OURGKSWEYUSQJE-WOJGMQOQSA-N -1 0 588.831 5.729 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000409264970 1073209198 /nfs/dbraw/zinc/20/91/98/1073209198.db2.gz NCBBEPQLBTYTHV-WOJGMQOQSA-N -1 0 677.733 5.948 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3Cl)C2=O)cc1C ZINC000409264972 1073209264 /nfs/dbraw/zinc/20/92/64/1073209264.db2.gz HHNLMSWZRCUPSF-ODLFYWEKSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1Cl ZINC000409264793 1073210110 /nfs/dbraw/zinc/21/01/10/1073210110.db2.gz QIGXFJBAZLKPQH-LSCVHKIXSA-N -1 0 663.706 5.563 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1 ZINC000409264300 1073213610 /nfs/dbraw/zinc/21/36/10/1073213610.db2.gz OPYGMOQDZMNCPN-LPYMAVHISA-N -1 0 578.021 5.048 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409263894 1073214693 /nfs/dbraw/zinc/21/46/93/1073214693.db2.gz CRTXQJQRMMJHPJ-KEBDBYFISA-N -1 0 673.891 5.562 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)C1=O ZINC000409264014 1073215476 /nfs/dbraw/zinc/21/54/76/1073215476.db2.gz JEEUUHFQRFXWCV-LICLKQGHSA-N -1 0 603.256 5.748 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409263602 1073216621 /nfs/dbraw/zinc/21/66/21/1073216621.db2.gz IGKJRLSHRVFVRC-UNOMPAQXSA-N -1 0 615.303 5.060 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1C ZINC000409263490 1073217423 /nfs/dbraw/zinc/21/74/23/1073217423.db2.gz HEPGTYPCVPRODP-DJKKODMXSA-N -1 0 586.859 6.256 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1C ZINC000409263483 1073217449 /nfs/dbraw/zinc/21/74/49/1073217449.db2.gz LGRITQYSRQHUKO-GRSHGNNSSA-N -1 0 617.283 6.057 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409262770 1073220288 /nfs/dbraw/zinc/22/02/88/1073220288.db2.gz JYRKYTHRHWYURT-VXLYETTFSA-N -1 0 612.864 5.412 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OC ZINC000409262308 1073221827 /nfs/dbraw/zinc/22/18/27/1073221827.db2.gz HPIGRFRXCUEEMR-QRVIBDJDSA-N -1 0 622.074 5.447 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000409262294 1073221918 /nfs/dbraw/zinc/22/19/18/1073221918.db2.gz HKYLLYPUDNYAIZ-UNOMPAQXSA-N -1 0 629.330 5.369 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c1C ZINC000409262347 1073222372 /nfs/dbraw/zinc/22/23/72/1073222372.db2.gz HYSWMJPHZVNCRN-GRSHGNNSSA-N -1 0 583.384 5.202 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409262033 1073223770 /nfs/dbraw/zinc/22/37/70/1073223770.db2.gz CBHQGGFUVFNWBE-SXGWCWSVSA-N -1 0 667.727 6.492 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1 ZINC000409261596 1073226110 /nfs/dbraw/zinc/22/61/10/1073226110.db2.gz DZAGSAYJOKHRAY-LPYMAVHISA-N -1 0 578.021 5.048 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3Cl)C2=O)cc1Cl ZINC000409261615 1073226118 /nfs/dbraw/zinc/22/61/18/1073226118.db2.gz FHZRMVHTWNTZJC-RQZCQDPDSA-N -1 0 682.152 6.511 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409261259 1073227741 /nfs/dbraw/zinc/22/77/41/1073227741.db2.gz CBBGAKLCGCRXHF-SRZZPIQSSA-N -1 0 687.918 5.952 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1Cl ZINC000409261362 1073228512 /nfs/dbraw/zinc/22/85/12/1073228512.db2.gz ASQAKDDECJRUQJ-GRSHGNNSSA-N -1 0 603.256 5.748 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409261050 1073230027 /nfs/dbraw/zinc/23/00/27/1073230027.db2.gz AMCLJYDUVQSWSE-UNOMPAQXSA-N -1 0 628.465 5.483 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409260737 1073231814 /nfs/dbraw/zinc/23/18/14/1073231814.db2.gz VOBWVEPJDYZRIV-UFWORHAWSA-N -1 0 694.309 5.907 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409260557 1073232749 /nfs/dbraw/zinc/23/27/49/1073232749.db2.gz RYDNHTRXYNFXKL-SRZZPIQSSA-N -1 0 596.467 6.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409260458 1073233820 /nfs/dbraw/zinc/23/38/20/1073233820.db2.gz QNCYHNAXEQHLHU-UDWIEESQSA-N -1 0 657.315 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OCC ZINC000409260255 1073234644 /nfs/dbraw/zinc/23/46/44/1073234644.db2.gz NKDNFTQCDXEXFN-LFVJCYFKSA-N -1 0 650.526 5.937 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000409260357 1073235035 /nfs/dbraw/zinc/23/50/35/1073235035.db2.gz PEYYIIJWXGZPPT-YVLHZVERSA-N -1 0 691.716 5.336 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409259880 1073237461 /nfs/dbraw/zinc/23/74/61/1073237461.db2.gz GYZDOKJDIIVWFB-LSCVHKIXSA-N -1 0 681.754 6.800 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000409259785 1073238662 /nfs/dbraw/zinc/23/86/62/1073238662.db2.gz FHORBSWYLUVUOW-NHDPSOOVSA-N -1 0 596.423 5.081 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409259375 1073239400 /nfs/dbraw/zinc/23/94/00/1073239400.db2.gz ZCYOSBCDZBDWIY-VXLYETTFSA-N -1 0 659.864 5.254 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1 ZINC000409259295 1073240634 /nfs/dbraw/zinc/24/06/34/1073240634.db2.gz YCBVTUKVKWOBGH-UDWIEESQSA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3C)C2=O)cc1C ZINC000409258526 1073245154 /nfs/dbraw/zinc/24/51/54/1073245154.db2.gz XHWAZQLFQCAMMD-MTJSOVHGSA-N -1 0 641.316 5.821 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409258128 1073247992 /nfs/dbraw/zinc/24/79/92/1073247992.db2.gz RNBMYYLIBDLAAS-XDHOZWIPSA-N -1 0 628.863 5.194 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1 ZINC000409258187 1073248412 /nfs/dbraw/zinc/24/84/12/1073248412.db2.gz WVSYWQPWQTYATJ-VXLYETTFSA-N -1 0 633.680 5.549 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409258186 1073248488 /nfs/dbraw/zinc/24/84/88/1073248488.db2.gz UDEIEUCACQMBLS-IWIPYMOSSA-N -1 0 592.048 5.438 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409257522 1073251315 /nfs/dbraw/zinc/25/13/15/1073251315.db2.gz SHVLDJIVAGPNOE-UNOMPAQXSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409272610 1073254597 /nfs/dbraw/zinc/25/45/97/1073254597.db2.gz QYLRKMZSIZNRCP-FYJGNVAPSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000409271800 1073260099 /nfs/dbraw/zinc/26/00/99/1073260099.db2.gz NGHHXDZBJQERLF-NVMNQCDNSA-N -1 0 696.179 6.819 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1OCC ZINC000409271710 1073261817 /nfs/dbraw/zinc/26/18/17/1073261817.db2.gz WCRCDNCGUSHYNL-BUVRLJJBSA-N -1 0 650.526 5.937 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409271729 1073261989 /nfs/dbraw/zinc/26/19/89/1073261989.db2.gz WHEBGRNKYAYGIK-XYGWBWBKSA-N -1 0 704.961 6.764 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409271614 1073263015 /nfs/dbraw/zinc/26/30/15/1073263015.db2.gz VKKWOUSKDAMPBY-OCKHKDLRSA-N -1 0 682.152 6.511 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)c1 ZINC000409271422 1073263537 /nfs/dbraw/zinc/26/35/37/1073263537.db2.gz CSYMKAAPXZFPGX-QRVIBDJDSA-N -1 0 532.961 6.126 40 10 KKCBRM Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000409271120 1073265772 /nfs/dbraw/zinc/26/57/72/1073265772.db2.gz JEYSGZMWBZKJJC-NHDPSOOVSA-N -1 0 510.955 5.590 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409270622 1073268458 /nfs/dbraw/zinc/26/84/58/1073268458.db2.gz GJHBDYJZAHHFNZ-AWQFTUOYSA-N -1 0 602.858 6.038 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409269995 1073273781 /nfs/dbraw/zinc/27/37/81/1073273781.db2.gz NICRFXGHXPLEFG-VCHYOVAHSA-N -1 0 680.282 5.681 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000409269405 1073277535 /nfs/dbraw/zinc/27/75/35/1073277535.db2.gz IVXHGDFRYGIALF-UUYOSTAYSA-N -1 0 655.343 6.129 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1C ZINC000409268858 1073280921 /nfs/dbraw/zinc/28/09/21/1073280921.db2.gz BPRVQYPIVHPYIX-QRVIBDJDSA-N -1 0 531.996 5.258 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1OCC ZINC000409268864 1073280960 /nfs/dbraw/zinc/28/09/60/1073280960.db2.gz YTGOWOWDWXAVMS-FYJGNVAPSA-N -1 0 626.493 6.173 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409268803 1073282499 /nfs/dbraw/zinc/28/24/99/1073282499.db2.gz ARVJKSALZLXKRU-VEILYXNESA-N -1 0 605.647 5.575 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1C ZINC000409268662 1073283247 /nfs/dbraw/zinc/28/32/47/1073283247.db2.gz XGQTWIPMMCDCJV-UDWIEESQSA-N -1 0 627.289 5.512 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c(C)c1 ZINC000409268653 1073283280 /nfs/dbraw/zinc/28/32/80/1073283280.db2.gz XCGYDBLJMGWMHN-DJKKODMXSA-N -1 0 661.734 6.166 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1OC ZINC000409268342 1073284734 /nfs/dbraw/zinc/28/47/34/1073284734.db2.gz ZCWUHEBKLGTNRL-HMAPJEAMSA-N -1 0 578.021 5.130 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c(C)c1 ZINC000409268044 1073286653 /nfs/dbraw/zinc/28/66/53/1073286653.db2.gz XVZJNGFAJORSAL-XKZIYDEJSA-N -1 0 531.996 5.258 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267740 1073287813 /nfs/dbraw/zinc/28/78/13/1073287813.db2.gz WCBLROVSULWNFI-IDUWFGFVSA-N -1 0 714.727 6.252 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267376 1073290728 /nfs/dbraw/zinc/29/07/28/1073290728.db2.gz UGGFIMSGTONIBI-AWQFTUOYSA-N -1 0 661.336 6.455 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409274372 1073311255 /nfs/dbraw/zinc/31/12/55/1073311255.db2.gz WKZLORBSFZBOCE-SSDVNMTOSA-N -1 0 523.998 5.429 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409273447 1073319103 /nfs/dbraw/zinc/31/91/03/1073319103.db2.gz YBWANWUQTJBNEC-UFWORHAWSA-N -1 0 602.858 5.956 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1 ZINC000409273494 1073319877 /nfs/dbraw/zinc/31/98/77/1073319877.db2.gz YOCFPWUGILSXNF-OEAKJJBVSA-N -1 0 636.499 5.547 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409273076 1073320866 /nfs/dbraw/zinc/32/08/66/1073320866.db2.gz VEAGKUGKAUXSJR-IWIPYMOSSA-N -1 0 646.483 6.265 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409273004 1073321062 /nfs/dbraw/zinc/32/10/62/1073321062.db2.gz USKUIKHBQRIUPN-OCKHKDLRSA-N -1 0 602.858 5.956 40 10 KKCBRM CC(C)(C)c1cc(Br)c([O-])c(C[NH+](Cc2cc(C(C)(C)C)cc(Br)c2[O-])C2CCCCC2)c1 ZINC000001679641 551688897 /nfs/dbraw/zinc/68/88/97/551688897.db2.gz NQIXBTDGJGXIGS-UHFFFAOYSA-N -1 0 581.433 8.553 40 10 in-vitro KKCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000002700710 552159726 /nfs/dbraw/zinc/15/97/26/552159726.db2.gz VAOOLCNZPJSLCU-LOHYDARVSA-N -1 0 500.941 5.535 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000004136524 552442313 /nfs/dbraw/zinc/44/23/13/552442313.db2.gz PAXDIVYGPOXAJO-MOSHPQCFSA-N -1 0 584.941 6.536 40 10 KKCBRM Nc1ccc(-c2ccc(NN=C3C(=O)c4ccc(NC(=O)c5ccccc5)cc4C=C3S(=O)(=O)[O-])cc2)cc1 ZINC000004707593 552472247 /nfs/dbraw/zinc/47/22/47/552472247.db2.gz VQZBKUMVTCJOES-ULIFNZDWSA-N -1 0 538.585 6.709 40 10 KKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000008821478 553155772 /nfs/dbraw/zinc/15/57/72/553155772.db2.gz BUKNKMVPBZAVPL-OQKWZONESA-N -1 0 516.641 6.652 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCCOc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000009057097 553204481 /nfs/dbraw/zinc/20/44/81/553204481.db2.gz VRIWDPCNOIOYJY-PLRJNAJWSA-N -1 0 514.578 5.117 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012412803 553364168 /nfs/dbraw/zinc/36/41/68/553364168.db2.gz CNYDEQFYBKYZIP-UUYOSTAYSA-N -1 0 504.373 6.501 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000014133112 553501608 /nfs/dbraw/zinc/50/16/08/553501608.db2.gz FVDXIXFZZMBHST-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000014132809 553501647 /nfs/dbraw/zinc/50/16/47/553501647.db2.gz TXHKALNTEDGILR-XDHOZWIPSA-N -1 0 509.331 5.142 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000015013069 553525568 /nfs/dbraw/zinc/52/55/68/553525568.db2.gz RRTZILAYNHOMEQ-UNOMPAQXSA-N -1 0 507.340 5.543 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c([N+](=O)[O-])cc1OCCC(C)C ZINC000016575175 553568312 /nfs/dbraw/zinc/56/83/12/553568312.db2.gz JGUZAQOMITWBPX-DEDYPNTBSA-N -1 0 519.579 5.853 40 10 KKCBRM CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4CC)C3=O)o2)ccc1Cl ZINC000019596427 553614952 /nfs/dbraw/zinc/61/49/52/553614952.db2.gz UGGJCSZTLSWXES-HMMYKYKNSA-N -1 0 506.942 5.396 40 10 KKCBRM COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020287640 553633119 /nfs/dbraw/zinc/63/31/19/553633119.db2.gz OFRVTWATRLBEHS-XYGWBWBKSA-N -1 0 520.929 5.692 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000083309647 553676684 /nfs/dbraw/zinc/67/66/84/553676684.db2.gz BJZMLUCOINJZGQ-HYARGMPZSA-N -1 0 517.542 5.088 40 10 KKCBRM CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000097959170 553861391 /nfs/dbraw/zinc/86/13/91/553861391.db2.gz FMIRIXVQBDZLDN-GXDFBKAQSA-N -1 0 565.464 5.890 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000097961893 553881400 /nfs/dbraw/zinc/88/14/00/553881400.db2.gz ZAGBDIDYKNWCCN-JCMHNJIXSA-N -1 0 557.455 7.070 40 10 KKCBRM Cc1ccc(SCCOc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000097961881 553881421 /nfs/dbraw/zinc/88/14/21/553881421.db2.gz DLZBTYYGSBSQQL-KQWNVCNZSA-N -1 0 537.435 6.435 40 10 KKCBRM CC[C@@H](C)c1ccccc1OCCCn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000033390265 553958180 /nfs/dbraw/zinc/95/81/80/553958180.db2.gz 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554379807 /nfs/dbraw/zinc/37/98/07/554379807.db2.gz VCLMXWCSNHFWRH-GIJQJNRQSA-N -1 0 511.317 5.808 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000059104789 554380025 /nfs/dbraw/zinc/38/00/25/554380025.db2.gz WNTREDQQOFVRQU-VULFUBBASA-N -1 0 510.565 7.060 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000059109525 554380998 /nfs/dbraw/zinc/38/09/98/554380998.db2.gz DEHRMYKOTKFPJU-HYARGMPZSA-N -1 0 506.400 6.087 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000059135132 554381108 /nfs/dbraw/zinc/38/11/08/554381108.db2.gz JSOIMSBJGJJRER-WOJGMQOQSA-N -1 0 513.294 5.813 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000059134990 554381227 /nfs/dbraw/zinc/38/12/27/554381227.db2.gz GLUYRPLKDYJBMG-YBFXNURJSA-N -1 0 513.294 5.813 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000059135455 554381558 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ZINC000103841824 571362419 /nfs/dbraw/zinc/36/24/19/571362419.db2.gz ICUOBWCDGHLIEU-IPPBACCNSA-N -1 0 554.090 6.882 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000103844905 571362934 /nfs/dbraw/zinc/36/29/34/571362934.db2.gz QAIZEYZXLJBPHE-LCHNLNGOSA-N -1 0 621.572 7.159 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C2=O)c1 ZINC000103845420 571363062 /nfs/dbraw/zinc/36/30/62/571363062.db2.gz PBKIQTMEMXMSBM-FYJGNVAPSA-N -1 0 538.000 5.220 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000103845483 571363127 /nfs/dbraw/zinc/36/31/27/571363127.db2.gz VGFHVWWQLGANNS-MHWRWJLKSA-N -1 0 612.105 6.592 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000103845871 571363279 /nfs/dbraw/zinc/36/32/79/571363279.db2.gz JWWNKELIXZXUPR-KCSSXMTESA-N -1 0 569.705 7.132 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000103849608 571364198 /nfs/dbraw/zinc/36/41/98/571364198.db2.gz VSIBNTTUWNMYSS-FRKPEAEDSA-N -1 0 554.188 6.685 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000103850038 571364372 /nfs/dbraw/zinc/36/43/72/571364372.db2.gz CXPTZNSVOPKNMV-YDZHTSKRSA-N -1 0 575.390 5.995 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000103850304 571364460 /nfs/dbraw/zinc/36/44/60/571364460.db2.gz QAQNTMXAFRBKQV-ZVHZXABRSA-N -1 0 544.966 6.276 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000103850472 571364619 /nfs/dbraw/zinc/36/46/19/571364619.db2.gz VHIACGDWTKMTKN-UDWIEESQSA-N -1 0 539.357 5.232 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000103850879 571364747 /nfs/dbraw/zinc/36/47/47/571364747.db2.gz TYLBGEAFMMOENM-UDWIEESQSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000103850908 571364830 /nfs/dbraw/zinc/36/48/30/571364830.db2.gz SKEFEBRAHHOHFJ-BUVRLJJBSA-N -1 0 545.364 5.987 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851531 571364951 /nfs/dbraw/zinc/36/49/51/571364951.db2.gz JWANAROLPDHWCF-LDADJPATSA-N -1 0 525.399 5.307 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000103851718 571365071 /nfs/dbraw/zinc/36/50/71/571365071.db2.gz PDGGTEGEGXUEIT-UDWIEESQSA-N -1 0 595.877 6.805 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000103851792 571365075 /nfs/dbraw/zinc/36/50/75/571365075.db2.gz FHVRAIWGAYUVQN-CXUHLZMHSA-N -1 0 535.811 6.196 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000103851849 571365088 /nfs/dbraw/zinc/36/50/88/571365088.db2.gz CGOCZZCCXCNGHK-UDWIEESQSA-N -1 0 551.426 6.696 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000103851834 571365118 /nfs/dbraw/zinc/36/51/18/571365118.db2.gz MDBFHBHQNFMFOB-CXUHLZMHSA-N -1 0 546.363 5.451 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2I)c1 ZINC000103851900 571365126 /nfs/dbraw/zinc/36/51/26/571365126.db2.gz ONWKIZAWYOXZEX-LDADJPATSA-N -1 0 572.399 5.149 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000103851993 571365132 /nfs/dbraw/zinc/36/51/32/571365132.db2.gz SGYPLMARZAQNMX-MHWRWJLKSA-N -1 0 531.392 5.551 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000103851710 571365168 /nfs/dbraw/zinc/36/51/68/571365168.db2.gz UTJABIBJJAVZAC-UDWIEESQSA-N -1 0 595.877 6.805 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000103852211 571365325 /nfs/dbraw/zinc/36/53/25/571365325.db2.gz KMWOPARTMLMTCB-WOJGMQOQSA-N -1 0 555.425 5.316 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000103852002 571365374 /nfs/dbraw/zinc/36/53/74/571365374.db2.gz QLGXRPVAZVWAPZ-LZYBPNLTSA-N -1 0 565.837 6.205 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000103852565 571365401 /nfs/dbraw/zinc/36/54/01/571365401.db2.gz YFQFLNQHNKQRKS-RQZCQDPDSA-N -1 0 554.983 5.017 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000103858571 571366550 /nfs/dbraw/zinc/36/65/50/571366550.db2.gz FWANGPHWPDOLHX-GIJQJNRQSA-N -1 0 580.649 6.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000103858403 571366577 /nfs/dbraw/zinc/36/65/77/571366577.db2.gz SPBCEQFLVAAXTP-PCLIKHOPSA-N -1 0 527.374 5.848 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000103858391 571366631 /nfs/dbraw/zinc/36/66/31/571366631.db2.gz NERKLYMZTAOFLB-FYJGNVAPSA-N -1 0 603.210 5.299 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000103859653 571367287 /nfs/dbraw/zinc/36/72/87/571367287.db2.gz MVDZCSKSXLTFSL-UDWIEESQSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000103860191 571367439 /nfs/dbraw/zinc/36/74/39/571367439.db2.gz WPBRKJAFRICXBA-GDNBJRDFSA-N -1 0 522.207 5.847 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000103860150 571367457 /nfs/dbraw/zinc/36/74/57/571367457.db2.gz WJKJPJBHBCYZPB-NDENLUEZSA-N -1 0 606.283 5.293 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C2=O)cc1 ZINC000103865735 571367965 /nfs/dbraw/zinc/36/79/65/571367965.db2.gz UJOTXAVJZGNHFO-TURZUDJPSA-N -1 0 606.748 6.824 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000103870219 571368301 /nfs/dbraw/zinc/36/83/01/571368301.db2.gz JBPYSTBUGLMAOB-CXUHLZMHSA-N -1 0 598.725 6.441 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103873065 571368325 /nfs/dbraw/zinc/36/83/25/571368325.db2.gz MFQBWAVSMWNAAO-WGOQTCKBSA-N -1 0 629.207 7.080 40 10 KKCBRM COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)c1 ZINC000103921349 571369755 /nfs/dbraw/zinc/36/97/55/571369755.db2.gz WLBBTUGWDXDOBW-KQWNVCNZSA-N -1 0 526.574 5.007 40 10 KKCBRM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(Cl)cc2Cl)cc1 ZINC000103922314 571369836 /nfs/dbraw/zinc/36/98/36/571369836.db2.gz LUBOZKMJUKSNDA-HMAPJEAMSA-N -1 0 509.418 6.749 40 10 KKCBRM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922650 571369839 /nfs/dbraw/zinc/36/98/39/571369839.db2.gz HUOAHFUZRQOQPF-BRPDVVIDSA-N -1 0 575.650 7.326 40 10 KKCBRM Cc1ccc(N=Nc2c(N)c(C)cc(N=Nc3ccc(Sc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)c2N)cc1 ZINC000104389582 571380007 /nfs/dbraw/zinc/38/00/07/571380007.db2.gz GVECBRQRODFKJM-QAPVMQAESA-N -1 0 616.707 10.269 40 10 KKCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649314 571382828 /nfs/dbraw/zinc/38/28/28/571382828.db2.gz AVFYWXNCENOJLQ-PVTPYKNESA-N -1 0 538.625 6.804 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)c1 ZINC000104649605 571383048 /nfs/dbraw/zinc/38/30/48/571383048.db2.gz NQTGNEWPWXGBMS-VKIDHGPPSA-N -1 0 571.493 6.102 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1 ZINC000104650007 571383185 /nfs/dbraw/zinc/38/31/85/571383185.db2.gz GMGSFEVHAAZYFH-YZUZCNPQSA-N -1 0 525.424 5.775 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000104649995 571383203 /nfs/dbraw/zinc/38/32/03/571383203.db2.gz HHZJYBBQUNCUNA-GLDPYIMESA-N -1 0 525.970 5.574 40 10 KKCBRM O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2[O-])sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656457 571384017 /nfs/dbraw/zinc/38/40/17/571384017.db2.gz KJHHKRKGKKCAEM-NDPISHAISA-N -1 0 619.544 7.202 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104881886 571387001 /nfs/dbraw/zinc/38/70/01/571387001.db2.gz HYFQXJNQIVETME-HZHRSRAPSA-N -1 0 592.877 6.188 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12 ZINC000104881924 571387064 /nfs/dbraw/zinc/38/70/64/571387064.db2.gz VVOYNNWTHSTVJE-GIJQJNRQSA-N -1 0 556.775 5.500 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000105498517 571405844 /nfs/dbraw/zinc/40/58/44/571405844.db2.gz NKVNRKLHYGXERW-IKDJVGDTSA-N -1 0 559.047 5.573 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c1 ZINC000106717848 571415673 /nfs/dbraw/zinc/41/56/73/571415673.db2.gz YSXZJBMMGVZHSE-OCKHKDLRSA-N -1 0 508.766 6.842 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)o1 ZINC000106752371 571417690 /nfs/dbraw/zinc/41/76/90/571417690.db2.gz ANVMJCSTJPJVHW-JAIQZWGSSA-N -1 0 545.354 5.794 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000112245230 571435692 /nfs/dbraw/zinc/43/56/92/571435692.db2.gz BWGQXCFKNWCNKE-WPWMEQJKSA-N -1 0 584.470 6.410 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000112246098 571435924 /nfs/dbraw/zinc/43/59/24/571435924.db2.gz DYHSLLCHAGGTHZ-UDWIEESQSA-N -1 0 535.394 5.320 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000112246000 571435935 /nfs/dbraw/zinc/43/59/35/571435935.db2.gz WZTDXIBDDJLBPG-UDWIEESQSA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000112245817 571435956 /nfs/dbraw/zinc/43/59/56/571435956.db2.gz PCSXDCFUIDIXTM-XDHOZWIPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000112245898 571435963 /nfs/dbraw/zinc/43/59/63/571435963.db2.gz HDTCEICIWOPXIQ-LICLKQGHSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000112245907 571435978 /nfs/dbraw/zinc/43/59/78/571435978.db2.gz PFYLAFMQCFAFGI-YBFXNURJSA-N -1 0 539.357 5.151 40 10 KKCBRM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1Cc1cccc(CNC(=O)OCc2ccccc2)c1 ZINC000112258317 571437692 /nfs/dbraw/zinc/43/76/92/571437692.db2.gz LXGDVOJFRZVUFZ-UHFFFAOYSA-N -1 0 547.449 6.410 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000113836547 571442739 /nfs/dbraw/zinc/44/27/39/571442739.db2.gz VMIMWILGOFHRDM-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM O=C1c2ccccc2C(=O)c2c(Nc3ccc4c(c3)c(=O)c3ccc5c6ccc7c(=O)c8ccccc8c(=O)c7c6[nH]c6cc(O)c4c3c65)cccc21 ZINC000150350068 571461613 /nfs/dbraw/zinc/46/16/13/571461613.db2.gz NZPZPCFEKAOOPB-UHFFFAOYSA-N -1 0 686.679 8.021 40 10 KKCBRM O=S(=O)([O-])c1cc2nc3c4cccc(S(=O)(=O)[O-])c4c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2cc1Nc1ccccc1 ZINC000150365109 571464526 /nfs/dbraw/zinc/46/45/26/571464526.db2.gz VMLSIHQDUBKHRM-UHFFFAOYSA-O -1 0 649.730 6.799 40 10 KKCBRM Nc1ccc2c(c1N=Nc1ccc([N+](=O)[O-])cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C2=O ZINC000150366590 571464745 /nfs/dbraw/zinc/46/47/45/571464745.db2.gz SYLHBLRMFZCHJR-LPITVXLWSA-N -1 0 688.682 9.901 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223427558 571475051 /nfs/dbraw/zinc/47/50/51/571475051.db2.gz CFDWVENYOWXRGF-IZLXSDGUSA-N -1 0 526.662 5.677 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000150403965 571478937 /nfs/dbraw/zinc/47/89/37/571478937.db2.gz CCUOHEQLBDKOOA-RQZCQDPDSA-N -1 0 637.257 6.160 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000150434985 571495023 /nfs/dbraw/zinc/49/50/23/571495023.db2.gz CCKPHOONXSCSFZ-NDENLUEZSA-N -1 0 632.838 5.597 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223582236 571507251 /nfs/dbraw/zinc/50/72/51/571507251.db2.gz IVHVKZSGCLLFJY-GKXUUXLPSA-N -1 0 510.432 5.536 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1 ZINC000150466407 571507772 /nfs/dbraw/zinc/50/77/72/571507772.db2.gz HAJLBOWCHBIIOL-NNXULEHKSA-N -1 0 640.518 5.946 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481397 571512637 /nfs/dbraw/zinc/51/26/37/571512637.db2.gz PRPLNQASBUTHPE-DJKKODMXSA-N -1 0 637.257 6.160 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000150629935 571523979 /nfs/dbraw/zinc/52/39/79/571523979.db2.gz MDSHRWQJNWCMBI-DJKKODMXSA-N -1 0 624.702 7.053 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150663098 571528004 /nfs/dbraw/zinc/52/80/04/571528004.db2.gz VLKBCNCBNXDZNZ-DJKKODMXSA-N -1 0 699.248 7.636 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000157788632 571529703 /nfs/dbraw/zinc/52/97/03/571529703.db2.gz QHVPLSDOHWZAMO-KOEQRZSOSA-N -1 0 673.658 7.189 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224372913 571532451 /nfs/dbraw/zinc/53/24/51/571532451.db2.gz XGWGGUYFQYMEAK-VMPREFPWSA-N -1 0 524.690 6.796 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224404913 571539004 /nfs/dbraw/zinc/53/90/04/571539004.db2.gz XBVGDUUYCMRBIY-IZZNHLLZSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000164337357 571546056 /nfs/dbraw/zinc/54/60/56/571546056.db2.gz GAOBPMIXXNOXIB-YBFXNURJSA-N -1 0 652.206 6.521 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164352901 571546339 /nfs/dbraw/zinc/54/63/39/571546339.db2.gz MHZOQMJKDZVXCB-FZSIALSZSA-N -1 0 716.109 6.335 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000164351772 571546354 /nfs/dbraw/zinc/54/63/54/571546354.db2.gz UHLICKRVYIZXDF-REZTVBANSA-N -1 0 645.216 5.094 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000164371475 571546438 /nfs/dbraw/zinc/54/64/38/571546438.db2.gz KTMNUJLFVVVNJH-GIJQJNRQSA-N -1 0 700.096 6.201 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164382978 571546700 /nfs/dbraw/zinc/54/67/00/571546700.db2.gz OASDCDCATSIZTC-DJKKODMXSA-N -1 0 655.247 6.381 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164391113 571546950 /nfs/dbraw/zinc/54/69/50/571546950.db2.gz NJPKZXYHZGOHJF-VGOFMYFVSA-N -1 0 659.158 7.068 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000164392233 571546966 /nfs/dbraw/zinc/54/69/66/571546966.db2.gz UMFBDWMFKMHBJF-UDWIEESQSA-N -1 0 640.328 6.914 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000164390374 571547010 /nfs/dbraw/zinc/54/70/10/571547010.db2.gz ULLJDLGMAIXJLR-GZTJUZNOSA-N -1 0 637.268 5.603 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164394588 571547017 /nfs/dbraw/zinc/54/70/17/571547017.db2.gz JMJAYFXXOSLCDI-CXUHLZMHSA-N -1 0 763.164 6.208 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000164393958 571547061 /nfs/dbraw/zinc/54/70/61/571547061.db2.gz RAKAQPNFCXGKRI-VGOFMYFVSA-N -1 0 706.158 6.910 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164402742 571547241 /nfs/dbraw/zinc/54/72/41/571547241.db2.gz PKJORXDZFRPRRW-LICLKQGHSA-N -1 0 667.294 5.612 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164404726 571547308 /nfs/dbraw/zinc/54/73/08/571547308.db2.gz CIKFHKVSGVRZQD-WOJGMQOQSA-N -1 0 634.321 6.160 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000164398197 571547322 /nfs/dbraw/zinc/54/73/22/571547322.db2.gz LHKGRGSSPAYQOA-CXUHLZMHSA-N -1 0 702.258 5.584 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000164444768 571547606 /nfs/dbraw/zinc/54/76/06/571547606.db2.gz XZYHFEDRKOYJBT-RQZCQDPDSA-N -1 0 669.551 6.873 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164445174 571547673 /nfs/dbraw/zinc/54/76/73/571547673.db2.gz JOMNSYMXJXKQQP-FRKPEAEDSA-N -1 0 703.996 7.526 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164447693 571547677 /nfs/dbraw/zinc/54/76/77/571547677.db2.gz OERPWPQXUWJOEG-FRKPEAEDSA-N -1 0 659.545 7.417 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000164447561 571547744 /nfs/dbraw/zinc/54/77/44/571547744.db2.gz VMMKWOKRDBMVBL-REZTVBANSA-N -1 0 659.545 7.417 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164453396 571547829 /nfs/dbraw/zinc/54/78/29/571547829.db2.gz WTCPQEBVBMUTMV-GIJQJNRQSA-N -1 0 672.100 6.606 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000164456006 571547866 /nfs/dbraw/zinc/54/78/66/571547866.db2.gz SZMHBVLMYAGETG-RQZCQDPDSA-N -1 0 747.096 6.043 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000164452403 571547978 /nfs/dbraw/zinc/54/79/78/571547978.db2.gz ZDTVNTLEQFVWEZ-REZTVBANSA-N -1 0 615.094 7.308 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000164458579 571548196 /nfs/dbraw/zinc/54/81/96/571548196.db2.gz VKIPKVAQSMXYTD-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164460221 571548216 /nfs/dbraw/zinc/54/82/16/571548216.db2.gz UMAIQOJVGUWZKS-CAOOACKPSA-N -1 0 702.126 6.615 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164459492 571548229 /nfs/dbraw/zinc/54/82/29/571548229.db2.gz IJSKEYDQHDWVFR-VXLYETTFSA-N -1 0 712.132 6.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000164466893 571548378 /nfs/dbraw/zinc/54/83/78/571548378.db2.gz OZWOSUOXFUUIBH-ZVHZXABRSA-N -1 0 650.323 7.009 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000164470037 571548612 /nfs/dbraw/zinc/54/86/12/571548612.db2.gz PGDLIZVDTBKXJS-RGVLZGJSSA-N -1 0 634.708 6.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164468923 571548660 /nfs/dbraw/zinc/54/86/60/571548660.db2.gz ICSDHGICLAXRNU-RGVLZGJSSA-N -1 0 692.260 5.606 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164467773 571548693 /nfs/dbraw/zinc/54/86/93/571548693.db2.gz ATNYDKSTFJEZBQ-RGVLZGJSSA-N -1 0 726.159 6.460 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000164472954 571548703 /nfs/dbraw/zinc/54/87/03/571548703.db2.gz SAVFKGADWMVQRX-UDWIEESQSA-N -1 0 635.106 6.220 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224466249 571552382 /nfs/dbraw/zinc/55/23/82/571552382.db2.gz SQZBWJFFVHXQIJ-RPBOFIJWSA-N -1 0 503.027 6.018 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224497929 571560780 /nfs/dbraw/zinc/56/07/80/571560780.db2.gz IIUSAIXPGZKLPN-RPBOFIJWSA-N -1 0 547.478 6.127 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208475709 571574480 /nfs/dbraw/zinc/57/44/80/571574480.db2.gz VVDRNKHNLUFAQV-GIJQJNRQSA-N -1 0 514.807 5.401 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223936042 571578713 /nfs/dbraw/zinc/57/87/13/571578713.db2.gz CULLKLXOKNGDTP-URLMMPGGSA-N -1 0 553.688 5.201 40 10 KKCBRM CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000224002358 571593315 /nfs/dbraw/zinc/59/33/15/571593315.db2.gz QYLCIJUQODNPCP-UHFFFAOYSA-N -1 0 500.064 5.534 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224055674 571603121 /nfs/dbraw/zinc/60/31/21/571603121.db2.gz KYJJYJJNLBBCPM-VSGBNLITSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224707106 571607204 /nfs/dbraw/zinc/60/72/04/571607204.db2.gz YJKHTWXBHVSEHM-AJQTZOPKSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224710394 571607939 /nfs/dbraw/zinc/60/79/39/571607939.db2.gz UZXBGYVBZXYFAS-LQJZCPKCSA-N -1 0 588.733 7.774 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224094567 571609199 /nfs/dbraw/zinc/60/91/99/571609199.db2.gz VQUHYIPSDBRGAP-VMPREFPWSA-N -1 0 567.715 6.267 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c(OC)c1 ZINC000224808662 571619090 /nfs/dbraw/zinc/61/90/90/571619090.db2.gz AQRMKMODMFZSDT-KAYWLYCHSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c1 ZINC000224841228 571622345 /nfs/dbraw/zinc/62/23/45/571622345.db2.gz CREVIEBGDKICDY-SXOMAYOGSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224844333 571622593 /nfs/dbraw/zinc/62/25/93/571622593.db2.gz JHYDWXBSCHEDFM-NSOVKSMOSA-N -1 0 542.661 5.690 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224903791 571628455 /nfs/dbraw/zinc/62/84/55/571628455.db2.gz OZLHUASTBDCREZ-KAYWLYCHSA-N -1 0 514.626 6.120 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224930914 571631165 /nfs/dbraw/zinc/63/11/65/571631165.db2.gz XHFWRNSUMZUDFF-FTJBHMTQSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224989327 571636801 /nfs/dbraw/zinc/63/68/01/571636801.db2.gz LJYRDWDVFQDFDI-CONSDPRKSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225046159 571641786 /nfs/dbraw/zinc/64/17/86/571641786.db2.gz QWWNJRMSKPSDRE-IZLXSDGUSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225074900 571644462 /nfs/dbraw/zinc/64/44/62/571644462.db2.gz VFFDTTXANBHORQ-LQJZCPKCSA-N -1 0 617.731 6.382 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225077718 571644825 /nfs/dbraw/zinc/64/48/25/571644825.db2.gz PPNURUQYKGWKPT-KKLWWLSJSA-N -1 0 631.758 6.690 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225077753 571644852 /nfs/dbraw/zinc/64/48/52/571644852.db2.gz PPNURUQYKGWKPT-NOCHOARKSA-N -1 0 631.758 6.690 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103886 571647530 /nfs/dbraw/zinc/64/75/30/571647530.db2.gz KORQEAGGNCGMJW-VMPREFPWSA-N -1 0 597.741 6.358 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103921 571647557 /nfs/dbraw/zinc/64/75/57/571647557.db2.gz KORQEAGGNCGMJW-WDYNHAJCSA-N -1 0 597.741 6.358 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106671 571647886 /nfs/dbraw/zinc/64/78/86/571647886.db2.gz DKBLNCZDUAPJQP-IHLOFXLRSA-N -1 0 611.768 6.666 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225132730 571650386 /nfs/dbraw/zinc/65/03/86/571650386.db2.gz FXWWXOLYIDJELV-NSOVKSMOSA-N -1 0 588.133 6.612 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225135123 571650597 /nfs/dbraw/zinc/65/05/97/571650597.db2.gz JLGZHYCYZNPKJA-URLMMPGGSA-N -1 0 602.160 6.921 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225160179 571653259 /nfs/dbraw/zinc/65/32/59/571653259.db2.gz ZWNXHPCKXVXYJM-VMPREFPWSA-N -1 0 553.688 6.021 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1NC(C)=O ZINC000225320479 571675280 /nfs/dbraw/zinc/67/52/80/571675280.db2.gz WFJWOCUCJMSILM-IZLXSDGUSA-N -1 0 555.660 5.331 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225345659 571705300 /nfs/dbraw/zinc/70/53/00/571705300.db2.gz CBPRGNKPXJBFPI-VSGBNLITSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225371851 571737545 /nfs/dbraw/zinc/73/75/45/571737545.db2.gz ZVOXFJXQNDGCKD-IHLOFXLRSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225399948 571769940 /nfs/dbraw/zinc/76/99/40/571769940.db2.gz ZFQCWMMLUGSSBG-SXOMAYOGSA-N -1 0 575.716 5.044 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225550928 571913678 /nfs/dbraw/zinc/91/36/78/571913678.db2.gz CBFJXCLURLXYAZ-LOYHVIPDSA-N -1 0 567.715 5.751 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225550814 571913681 /nfs/dbraw/zinc/91/36/81/571913681.db2.gz JUWSGKZGWRMXQU-LOYHVIPDSA-N -1 0 567.715 5.751 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225572116 571933565 /nfs/dbraw/zinc/93/35/65/571933565.db2.gz FOMJPACKHYFIEJ-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225613245 571964592 /nfs/dbraw/zinc/96/45/92/571964592.db2.gz TXJAMKPOASVPGM-WUFINQPMSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225613137 571964678 /nfs/dbraw/zinc/96/46/78/571964678.db2.gz PLIBFCWDBNUSAK-NSOVKSMOSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225631082 571983364 /nfs/dbraw/zinc/98/33/64/571983364.db2.gz SKIYYVXNOFXZSG-LOYHVIPDSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225648816 571997656 /nfs/dbraw/zinc/99/76/56/571997656.db2.gz SNBPKGJXLLUKGJ-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225667906 572009784 /nfs/dbraw/zinc/00/97/84/572009784.db2.gz GPXVERNOYKQHEI-URLMMPGGSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225706463 572036758 /nfs/dbraw/zinc/03/67/58/572036758.db2.gz AJIPDSRFWKPIKW-ZWXJPIIXSA-N -1 0 589.721 6.342 40 10 KKCBRM Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408527152 572159817 /nfs/dbraw/zinc/15/98/17/572159817.db2.gz FDRIFJWJLBBREP-HZHRSRAPSA-N -1 0 534.454 5.804 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408527940 572162466 /nfs/dbraw/zinc/16/24/66/572162466.db2.gz AKFWMSCAOQAFOJ-HSGJKIJMSA-N -1 0 561.388 5.133 40 10 KKCBRM Cc1nn(Cc2ccccc2Cl)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408528081 572163179 /nfs/dbraw/zinc/16/31/79/572163179.db2.gz FDPCUJZYFDNCND-PCLIKHOPSA-N -1 0 663.016 7.011 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 ZINC000408528377 572163935 /nfs/dbraw/zinc/16/39/35/572163935.db2.gz BBWPMPLGDXJNRT-ZDLGFXPLSA-N -1 0 638.190 6.116 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2Br)C1=O ZINC000408529108 572166536 /nfs/dbraw/zinc/16/65/36/572166536.db2.gz GYBZERPHZASDTQ-HMMYKYKNSA-N -1 0 593.478 5.214 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408529064 572166566 /nfs/dbraw/zinc/16/65/66/572166566.db2.gz BYWQTNQDBQNFBC-ODLFYWEKSA-N -1 0 574.214 5.950 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408530292 572171168 /nfs/dbraw/zinc/17/11/68/572171168.db2.gz DVWKZPHAVSJJOK-NSFNGMEESA-N -1 0 677.676 5.992 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408530705 572173048 /nfs/dbraw/zinc/17/30/48/572173048.db2.gz FRELUXYOCLKISQ-ODLFYWEKSA-N -1 0 634.664 5.759 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1Cl ZINC000408530825 572173434 /nfs/dbraw/zinc/17/34/34/572173434.db2.gz FXCOVHRPANLLQZ-IDUWFGFVSA-N -1 0 707.080 7.423 40 10 KKCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 ZINC000408530941 572173930 /nfs/dbraw/zinc/17/39/30/572173930.db2.gz GARNTQRMKKOBAO-UNOMPAQXSA-N -1 0 514.843 5.244 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408530997 572173998 /nfs/dbraw/zinc/17/39/98/572173998.db2.gz GEAXJALBJQUKRZ-ODLFYWEKSA-N -1 0 618.665 6.059 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)c1 ZINC000408531470 572176124 /nfs/dbraw/zinc/17/61/24/572176124.db2.gz GWULEWFXALBTCZ-HFAHNTRXSA-N -1 0 565.807 5.696 40 10 KKCBRM Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)c(N3CCCC3)cc2n(C)c1=O ZINC000408531879 572177502 /nfs/dbraw/zinc/17/75/02/572177502.db2.gz OXXKKLBUJPATDO-PTGBLXJZSA-N -1 0 673.612 5.286 40 10 KKCBRM CCn1c2cc(Br)c(N=Cc3c(C)[n-]n(-c4ccc(Br)c(C)c4C)c3=O)cc2n(CC)c1=O ZINC000408532129 572178647 /nfs/dbraw/zinc/17/86/47/572178647.db2.gz MAABGPBBBQEBNA-VBKFSLOCSA-N -1 0 575.305 5.703 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408532110 572178726 /nfs/dbraw/zinc/17/87/26/572178726.db2.gz IBRYYVWLNYPYIY-AGBGGAJKSA-N -1 0 530.964 5.332 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408533514 572183611 /nfs/dbraw/zinc/18/36/11/572183611.db2.gz JYXNNCZWHMMUHD-DXUNAILJSA-N -1 0 664.228 6.516 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)c1 ZINC000408533580 572184126 /nfs/dbraw/zinc/18/41/26/572184126.db2.gz KEUQRURZAILYJO-BWXIOLLUSA-N -1 0 581.806 5.396 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000408534076 572185191 /nfs/dbraw/zinc/18/51/91/572185191.db2.gz LCPMWWNQHBSQKL-UNOMPAQXSA-N -1 0 614.246 5.414 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)/C1=C/NC(=S)NCc1ccccc1 ZINC000408534427 572186186 /nfs/dbraw/zinc/18/61/86/572186186.db2.gz QVTGRPBANALWSM-CJLVFECKSA-N -1 0 593.547 5.048 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408534840 572186930 /nfs/dbraw/zinc/18/69/30/572186930.db2.gz MQNUHLZGBASPHE-IUXPMGMMSA-N -1 0 673.528 7.057 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C45CC6CC(CC(C6)C4)C5)ccc3Br)C2=O)cc1 ZINC000408535042 572187455 /nfs/dbraw/zinc/18/74/55/572187455.db2.gz SGBIPKPBDLJASR-JCMHNJIXSA-N -1 0 550.453 5.504 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408535279 572188257 /nfs/dbraw/zinc/18/82/57/572188257.db2.gz NJJRENDVDNOQEQ-FFKFWDHTSA-N -1 0 665.121 6.804 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 ZINC000408535417 572188661 /nfs/dbraw/zinc/18/86/61/572188661.db2.gz OAFJLTNPCXGPAB-UNOMPAQXSA-N -1 0 559.294 5.354 40 10 KKCBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)c1 ZINC000408535652 572189057 /nfs/dbraw/zinc/18/90/57/572189057.db2.gz ZHZYXBVYQNAAIE-PCLIKHOPSA-N -1 0 526.637 5.368 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 ZINC000408536163 572190330 /nfs/dbraw/zinc/19/03/30/572190330.db2.gz QBESBXSPENLYEW-OCKHKDLRSA-N -1 0 690.297 5.132 40 10 KKCBRM CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)cc2)cc1 ZINC000408536298 572190538 /nfs/dbraw/zinc/19/05/38/572190538.db2.gz VXOCIWMLDZPNMD-ZTKZIYFRSA-N -1 0 719.658 6.695 40 10 KKCBRM COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408536204 572190669 /nfs/dbraw/zinc/19/06/69/572190669.db2.gz QHOWZRQYGLBWAR-NDENLUEZSA-N -1 0 589.320 5.362 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536593 572191611 /nfs/dbraw/zinc/19/16/11/572191611.db2.gz ABCHRBZQNRKPPD-WPWMEQJKSA-N -1 0 657.517 6.681 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000408536719 572192268 /nfs/dbraw/zinc/19/22/68/572192268.db2.gz AQBQXZONWMAZBT-XSFVSMFZSA-N -1 0 500.979 5.373 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1 ZINC000408536782 572192349 /nfs/dbraw/zinc/19/23/49/572192349.db2.gz BCADJPVYDXKWHR-OGLMXYFKSA-N -1 0 657.119 6.970 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408536969 572192661 /nfs/dbraw/zinc/19/26/61/572192661.db2.gz UEENDRDWZHUDDD-GRSHGNNSSA-N -1 0 668.216 6.125 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000408536897 572192695 /nfs/dbraw/zinc/19/26/95/572192695.db2.gz TUZMMMWLXXIDAK-ODLFYWEKSA-N -1 0 679.115 5.868 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc(OC)c1OC ZINC000408536997 572192829 /nfs/dbraw/zinc/19/28/29/572192829.db2.gz UHNKPROXMHICEL-NVMNQCDNSA-N -1 0 786.167 5.728 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000408536838 572192853 /nfs/dbraw/zinc/19/28/53/572192853.db2.gz SRBITMMPTYNNRX-PDGQHHTCSA-N -1 0 630.245 5.114 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000408537105 572193312 /nfs/dbraw/zinc/19/33/12/572193312.db2.gz ZDOOLPSGSXFGRS-DHDCSXOGSA-N -1 0 508.170 5.455 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537202 572193782 /nfs/dbraw/zinc/19/37/82/572193782.db2.gz CSULISQVYXKYCF-IMRQLAEWSA-N -1 0 643.490 6.378 40 10 KKCBRM CCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408537411 572194413 /nfs/dbraw/zinc/19/44/13/572194413.db2.gz DURBCQBNPFUABM-XMHGGMMESA-N -1 0 501.377 5.083 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408537549 572194980 /nfs/dbraw/zinc/19/49/80/572194980.db2.gz WFCOEYCKYFCBAC-FJEAZPSFSA-N -1 0 698.673 7.169 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408537563 572194992 /nfs/dbraw/zinc/19/49/92/572194992.db2.gz WHKFJEIKHGFPTG-WOJGMQOQSA-N -1 0 525.344 5.196 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000408537485 572195059 /nfs/dbraw/zinc/19/50/59/572195059.db2.gz FQAAOMQCYGFCQF-XSFVSMFZSA-N -1 0 500.979 5.373 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537583 572195064 /nfs/dbraw/zinc/19/50/64/572195064.db2.gz FWOSTDTUIAKWDO-FMCGGJTJSA-N -1 0 775.277 8.742 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 ZINC000408537752 572195750 /nfs/dbraw/zinc/19/57/50/572195750.db2.gz XANWCVJKRKMWMI-ZDLGFXPLSA-N -1 0 683.534 6.513 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1 ZINC000408537892 572196607 /nfs/dbraw/zinc/19/66/07/572196607.db2.gz XZADERVRCPIXNP-ZDLGFXPLSA-N -1 0 730.534 6.355 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538093 572196784 /nfs/dbraw/zinc/19/67/84/572196784.db2.gz IYWRRLLZGCRVMC-JFLMPSFJSA-N -1 0 720.016 8.033 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538209 572197361 /nfs/dbraw/zinc/19/73/61/572197361.db2.gz KFBSVBYIMFFRRE-PKAZHMFMSA-N -1 0 569.013 6.173 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408538241 572197383 /nfs/dbraw/zinc/19/73/83/572197383.db2.gz ZMROJJARVLIJSA-YBFXNURJSA-N -1 0 544.869 5.253 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538455 572198142 /nfs/dbraw/zinc/19/81/42/572198142.db2.gz NCDIHZCPRGZBNT-ZXSNDDASSA-N -1 0 777.668 8.650 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000408538462 572198152 /nfs/dbraw/zinc/19/81/52/572198152.db2.gz NFKDNKUJYUWLQY-CPNJWEJPSA-N -1 0 505.398 6.018 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538541 572198597 /nfs/dbraw/zinc/19/85/97/572198597.db2.gz OOOLJZBHKXTUPT-YSMPRRRNSA-N -1 0 647.511 7.225 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538716 572199162 /nfs/dbraw/zinc/19/91/62/572199162.db2.gz PRKPPGWFPRGWEH-JVWAILMASA-N -1 0 687.543 6.689 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538702 572199187 /nfs/dbraw/zinc/19/91/87/572199187.db2.gz PIDYAVPVQDPURV-XSVYLIDLSA-N -1 0 689.164 8.142 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538765 572199590 /nfs/dbraw/zinc/19/95/90/572199590.db2.gz QKRKKQXNMVWADY-PKAZHMFMSA-N -1 0 579.565 5.428 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538942 572199965 /nfs/dbraw/zinc/19/99/65/572199965.db2.gz RVZYWVBRFNTAAE-ITYLOYPMSA-N -1 0 550.567 5.225 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408538895 572200083 /nfs/dbraw/zinc/20/00/83/572200083.db2.gz CZUGAAMBIYAJMO-RCCKNPSSSA-N -1 0 603.510 6.271 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539056 572200454 /nfs/dbraw/zinc/20/04/54/572200454.db2.gz DZAAZULPPTXNAA-OVVQPSECSA-N -1 0 583.040 6.563 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539138 572200929 /nfs/dbraw/zinc/20/09/29/572200929.db2.gz UCJWBEPITRZMMB-QFEZKATASA-N -1 0 644.036 6.090 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539374 572201850 /nfs/dbraw/zinc/20/18/50/572201850.db2.gz WCHZAACGACLFIG-WPWMEQJKSA-N -1 0 675.963 7.634 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539449 572201891 /nfs/dbraw/zinc/20/18/91/572201891.db2.gz HUQNYPWJXIHSIO-ONUIUJJFSA-N -1 0 580.662 5.693 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539382 572202058 /nfs/dbraw/zinc/20/20/58/572202058.db2.gz WGKHNCHQZCDHLI-YUMHPJSZSA-N -1 0 671.102 6.358 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408539347 572202142 /nfs/dbraw/zinc/20/21/42/572202142.db2.gz VRXDNICHJNVTQK-VEILYXNESA-N -1 0 637.645 6.217 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408539659 572202827 /nfs/dbraw/zinc/20/28/27/572202827.db2.gz JDCXQUWWVSQHIW-OVVQPSECSA-N -1 0 597.067 6.872 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539616 572202894 /nfs/dbraw/zinc/20/28/94/572202894.db2.gz ISCOFFHHNAUPKM-JFLMPSFJSA-N -1 0 661.538 7.615 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408539716 572203317 /nfs/dbraw/zinc/20/33/17/572203317.db2.gz JMTKCEXHWGFXNC-CJLVFECKSA-N -1 0 573.086 6.552 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539799 572203465 /nfs/dbraw/zinc/20/34/65/572203465.db2.gz YZASRQFQWFCCIU-CFRMEGHHSA-N -1 0 637.903 7.480 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)cc3)C2=O)cc1OCC ZINC000408539848 572203715 /nfs/dbraw/zinc/20/37/15/572203715.db2.gz KCCNGNQGJUVHIU-TWKHWXDSSA-N -1 0 636.701 6.707 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539859 572203796 /nfs/dbraw/zinc/20/37/96/572203796.db2.gz ZNVMTKZRPQQQDQ-WPWMEQJKSA-N -1 0 631.512 7.525 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540321 572205320 /nfs/dbraw/zinc/20/53/20/572205320.db2.gz PZNULOPIJURKOR-OYKKKHCWSA-N -1 0 603.458 6.826 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540521 572206105 /nfs/dbraw/zinc/20/61/05/572206105.db2.gz SVCLYMDEVWYNPG-IMRQLAEWSA-N -1 0 594.689 6.083 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1 ZINC000408540550 572206128 /nfs/dbraw/zinc/20/61/28/572206128.db2.gz TXIZBDNZYUPVMT-ITYLOYPMSA-N -1 0 675.963 7.634 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540760 572206429 /nfs/dbraw/zinc/20/64/29/572206429.db2.gz VQTVEXQPYKUDOG-QQXSKIMKSA-N -1 0 673.585 6.846 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408540653 572206534 /nfs/dbraw/zinc/20/65/34/572206534.db2.gz UXTLYHPVKRESCQ-WGOQTCKBSA-N -1 0 661.936 7.244 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540635 572206599 /nfs/dbraw/zinc/20/65/99/572206599.db2.gz USMHHGCJTUIGKJ-ONUIUJJFSA-N -1 0 564.594 5.528 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1OC ZINC000408540779 572206949 /nfs/dbraw/zinc/20/69/49/572206949.db2.gz VTYWUMXUCQIZLH-CEUNXORHSA-N -1 0 666.727 6.716 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408550065 572233296 /nfs/dbraw/zinc/23/32/96/572233296.db2.gz BAYLYFIUFBATHP-CIAFOILYSA-N -1 0 690.964 6.917 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1C ZINC000408550424 572234344 /nfs/dbraw/zinc/23/43/44/572234344.db2.gz DUUPCVQKUWVPFP-LSCVHKIXSA-N -1 0 696.179 6.819 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408550646 572234613 /nfs/dbraw/zinc/23/46/13/572234613.db2.gz FYMZKJGIVORDNN-VXLYETTFSA-N -1 0 710.308 5.689 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408551624 572236517 /nfs/dbraw/zinc/23/65/17/572236517.db2.gz DURYNTDGVAVZTO-NDENLUEZSA-N -1 0 677.335 6.237 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000408551698 572236780 /nfs/dbraw/zinc/23/67/80/572236780.db2.gz MAMIKLBJNLFWOP-VXLYETTFSA-N -1 0 770.258 7.390 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551711 572236962 /nfs/dbraw/zinc/23/69/62/572236962.db2.gz FOKKNRTXROKRJZ-PXNMLYILSA-N -1 0 658.119 6.747 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552472 572238241 /nfs/dbraw/zinc/23/82/41/572238241.db2.gz PYVOPCJDHPPDSY-ZDLGFXPLSA-N -1 0 574.804 5.339 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000408552467 572238253 /nfs/dbraw/zinc/23/82/53/572238253.db2.gz PXNCWUPKTMWKLR-GRSHGNNSSA-N -1 0 754.361 6.088 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1Cl ZINC000408554062 572241392 /nfs/dbraw/zinc/24/13/92/572241392.db2.gz YSGJVOHXVPITRJ-OMCISZLKSA-N -1 0 627.695 6.946 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408554606 572242090 /nfs/dbraw/zinc/24/20/90/572242090.db2.gz SCCSYVIGRKLRHE-UDWIEESQSA-N -1 0 588.831 5.729 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408555123 572242483 /nfs/dbraw/zinc/24/24/83/572242483.db2.gz VSVMYZCIBJZEAN-NDENLUEZSA-N -1 0 632.884 6.128 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408555474 572243006 /nfs/dbraw/zinc/24/30/06/572243006.db2.gz XQIXVSYMETVFTA-MFOYZWKCSA-N -1 0 560.777 5.036 40 10 KKCBRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408611864 572276649 /nfs/dbraw/zinc/27/66/49/572276649.db2.gz XDNBYMWCCNHNMT-UHFFFAOYSA-N -1 0 539.440 6.586 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3n[nH]c(-c4cc(Cl)ccc4OC)n3)C(=O)[O-])c2C)cc1 ZINC000408630479 572286172 /nfs/dbraw/zinc/28/61/72/572286172.db2.gz ACVZAVBQZWMDTK-QRVIBDJDSA-N -1 0 553.040 5.936 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000408631242 572287299 /nfs/dbraw/zinc/28/72/99/572287299.db2.gz GUBVPOCHGIFPKY-NHDPSOOVSA-N -1 0 559.873 6.522 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(C=C(Sc3n[nH]c(-c4cc(Cl)ccc4OC)n3)C(=O)[O-])c2C)c1C ZINC000408632782 572289275 /nfs/dbraw/zinc/28/92/75/572289275.db2.gz SKDWYIKZFQHRJI-FSJBWODESA-N -1 0 553.040 5.854 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])n[nH]1 ZINC000408633084 572289731 /nfs/dbraw/zinc/28/97/31/572289731.db2.gz VUPOBPJHIREDDV-YVNNLAQVSA-N -1 0 620.900 6.672 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[O-])o1 ZINC000408633045 572289738 /nfs/dbraw/zinc/28/97/38/572289738.db2.gz LEPJLGWHHVUPQC-UUYOSTAYSA-N -1 0 510.015 6.641 40 10 KKCBRM Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408634128 572291072 /nfs/dbraw/zinc/29/10/72/572291072.db2.gz PLOUQYAXWXUSPY-JMIUGGIZSA-N -1 0 519.841 7.057 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)[O-])o2)c1 ZINC000408634265 572291207 /nfs/dbraw/zinc/29/12/07/572291207.db2.gz SXDMPSLSUHCSTR-QRQIAZFYSA-N -1 0 553.640 7.046 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634241 572291214 /nfs/dbraw/zinc/29/12/14/572291214.db2.gz SPCMSZIKTJOSHK-MYYYXRDXSA-N -1 0 532.666 6.224 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)[O-])o2)c1 ZINC000408634254 572291215 /nfs/dbraw/zinc/29/12/15/572291215.db2.gz SUZZDBMHDKNEKJ-UUYOSTAYSA-N -1 0 603.438 5.984 40 10 KKCBRM Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000408635052 572292039 /nfs/dbraw/zinc/29/20/39/572292039.db2.gz XHJKTAMHQRASRK-NDENLUEZSA-N -1 0 529.847 6.513 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408634941 572292072 /nfs/dbraw/zinc/29/20/72/572292072.db2.gz YEELECGVOPFSJT-ZVHZXABRSA-N -1 0 519.627 5.180 40 10 KKCBRM CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000102686934 1069706661 /nfs/dbraw/zinc/70/66/61/1069706661.db2.gz KDDWRURTTQLXNE-HAVVHWLPSA-N -1 0 521.664 5.784 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/N=N/c3cccc(Nc4ccc(S(=O)(=O)[O-])cc4[N+](=O)[O-])c3)c(C)c2)cc1 ZINC000111343339 1069732593 /nfs/dbraw/zinc/73/25/93/1069732593.db2.gz UKKSULPXBQNWRV-ZQHSETAFSA-N -1 0 582.616 6.385 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)ccc1Br ZINC000408751628 1069736969 /nfs/dbraw/zinc/73/69/69/1069736969.db2.gz AQPIOMMURFGPJY-UDWIEESQSA-N -1 0 588.227 5.905 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408762483 1069738432 /nfs/dbraw/zinc/73/84/32/1069738432.db2.gz LAOOZMCPZJPBMU-YDZHTSKRSA-N -1 0 605.872 6.818 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408813474 1069742502 /nfs/dbraw/zinc/74/25/02/1069742502.db2.gz XSCBRIDAICAOHO-SRZZPIQSSA-N -1 0 580.391 5.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408812483 1069742585 /nfs/dbraw/zinc/74/25/85/1069742585.db2.gz LXDIBPUWPTVRJW-WSDLNYQXSA-N -1 0 563.448 5.937 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408867315 1069747339 /nfs/dbraw/zinc/74/73/39/1069747339.db2.gz LMFSLMQGMFGZCP-ZVHZXABRSA-N -1 0 610.448 5.573 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408899709 1069752061 /nfs/dbraw/zinc/75/20/61/1069752061.db2.gz PZUBUGATACANIM-JAIQZWGSSA-N -1 0 679.280 6.145 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408953914 1069762543 /nfs/dbraw/zinc/76/25/43/1069762543.db2.gz QMPPXOZUCMSEBE-WKIKZPBSSA-N -1 0 588.535 7.535 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409088580 1069772800 /nfs/dbraw/zinc/77/28/00/1069772800.db2.gz FPUVSLHAWQWZSR-RQZCQDPDSA-N -1 0 711.343 5.472 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088486 1069773001 /nfs/dbraw/zinc/77/30/01/1069773001.db2.gz JXNLPBJDMLXBJY-BUVRLJJBSA-N -1 0 682.405 7.414 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088156 1069773116 /nfs/dbraw/zinc/77/31/16/1069773116.db2.gz DWQVSEMDQHCJFM-LZYBPNLTSA-N -1 0 622.171 6.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090327 1069775164 /nfs/dbraw/zinc/77/51/64/1069775164.db2.gz MIQYNCJWZKRXHC-LICLKQGHSA-N -1 0 594.271 5.974 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)c1 ZINC000409137042 1069787781 /nfs/dbraw/zinc/78/77/81/1069787781.db2.gz UTDIENVOLCTSSC-BUVRLJJBSA-N -1 0 522.630 5.037 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409177482 1069796107 /nfs/dbraw/zinc/79/61/07/1069796107.db2.gz FUGBERWAJRNDHA-YDZHTSKRSA-N -1 0 503.580 5.084 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000409221411 1069801079 /nfs/dbraw/zinc/80/10/79/1069801079.db2.gz PXNXIQAGEJVNAH-NLRVBDNBSA-N -1 0 515.569 5.908 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408771381 1069871622 /nfs/dbraw/zinc/87/16/22/1069871622.db2.gz GAEVZCHPISUQJC-MFKUBSTISA-N -1 0 597.609 5.843 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)c1 ZINC000408768748 1069873770 /nfs/dbraw/zinc/87/37/70/1069873770.db2.gz ITTCZQGNHIPIAU-ZMOGYAJESA-N -1 0 589.873 7.118 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408772760 1069885380 /nfs/dbraw/zinc/88/53/80/1069885380.db2.gz FNUSXLHMIXHBAB-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408776588 1069882614 /nfs/dbraw/zinc/88/26/14/1069882614.db2.gz WLFWJTLSTVFICU-YBFXNURJSA-N -1 0 637.257 6.242 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408772275 1069883907 /nfs/dbraw/zinc/88/39/07/1069883907.db2.gz GCKRHGHQNSJUPO-DJKKODMXSA-N -1 0 665.132 6.228 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408772342 1069884153 /nfs/dbraw/zinc/88/41/53/1069884153.db2.gz KTJBNWIJCPNLRV-CAOOACKPSA-N -1 0 610.675 6.663 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1 ZINC000408773733 1069888058 /nfs/dbraw/zinc/88/80/58/1069888058.db2.gz SZSRBRDFUIAYQZ-VXLYETTFSA-N -1 0 696.133 6.370 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408773799 1069888294 /nfs/dbraw/zinc/88/82/94/1069888294.db2.gz MFCMILPQKCUGRI-YBFXNURJSA-N -1 0 573.802 5.886 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408774255 1069889371 /nfs/dbraw/zinc/88/93/71/1069889371.db2.gz YPXZSJZWNDGUEV-VXLYETTFSA-N -1 0 570.783 5.565 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(I)c3)C2=O)c1 ZINC000408774401 1069889583 /nfs/dbraw/zinc/88/95/83/1069889583.db2.gz VRINHEZMADQRTD-CIAFOILYSA-N -1 0 570.358 5.293 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000408775226 1069891695 /nfs/dbraw/zinc/89/16/95/1069891695.db2.gz ZTHWDCWXPLFQNX-OEAKJJBVSA-N -1 0 608.819 6.343 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1C ZINC000408775215 1069892122 /nfs/dbraw/zinc/89/21/22/1069892122.db2.gz RIFRFXNCPZFJSR-VCHYOVAHSA-N -1 0 575.952 6.507 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408775243 1069892160 /nfs/dbraw/zinc/89/21/60/1069892160.db2.gz ROHVUKARKUMYKD-MFKUBSTISA-N -1 0 611.636 6.151 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408776916 1069893783 /nfs/dbraw/zinc/89/37/83/1069893783.db2.gz SAUNJYOOTVCPJV-DJKKODMXSA-N -1 0 671.702 6.896 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408781176 1069899798 /nfs/dbraw/zinc/89/97/98/1069899798.db2.gz BEQMFAICRNLGTO-RQZCQDPDSA-N -1 0 609.782 6.375 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408779363 1069900610 /nfs/dbraw/zinc/90/06/10/1069900610.db2.gz VMUXARJVTNEUGL-FYJGNVAPSA-N -1 0 555.441 5.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408780139 1069902265 /nfs/dbraw/zinc/90/22/65/1069902265.db2.gz TULJNPDLBGAAMK-UDWIEESQSA-N -1 0 555.812 5.747 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408780259 1069902912 /nfs/dbraw/zinc/90/29/12/1069902912.db2.gz AEPRMERSMHFENU-RCCKNPSSSA-N -1 0 536.053 6.057 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408780486 1069903596 /nfs/dbraw/zinc/90/35/96/1069903596.db2.gz CJYRPGLBJWPTSI-CAOOACKPSA-N -1 0 654.779 6.284 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408780873 1069904644 /nfs/dbraw/zinc/90/46/44/1069904644.db2.gz MLKZOMNIZGVMMT-YBFXNURJSA-N -1 0 623.809 6.765 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408780987 1069905391 /nfs/dbraw/zinc/90/53/91/1069905391.db2.gz PEXHKEVBISDXDB-LPYMAVHISA-N -1 0 587.972 5.664 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c1C)CCCC2 ZINC000408784873 1069912169 /nfs/dbraw/zinc/91/21/69/1069912169.db2.gz CVOVFJWYRVZORV-UDWIEESQSA-N -1 0 598.544 5.415 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408785027 1069913431 /nfs/dbraw/zinc/91/34/31/1069913431.db2.gz XDDDJGFKZMRGDP-RIYZIHGNSA-N -1 0 575.765 5.975 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408785272 1069914123 /nfs/dbraw/zinc/91/41/23/1069914123.db2.gz XVPXAPJUADKAKA-VCHYOVAHSA-N -1 0 559.775 5.496 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408781542 1069916172 /nfs/dbraw/zinc/91/61/72/1069916172.db2.gz BLCARZCDBIYDNB-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408781760 1069916917 /nfs/dbraw/zinc/91/69/17/1069916917.db2.gz DKMOBTUCQVNSRI-CVKSISIWSA-N -1 0 599.481 6.863 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C2=O)c1 ZINC000408781916 1069916977 /nfs/dbraw/zinc/91/69/77/1069916977.db2.gz FQWMYAXNPUHAGD-ZMOGYAJESA-N -1 0 728.324 6.911 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408789072 1069917737 /nfs/dbraw/zinc/91/77/37/1069917737.db2.gz IXHBSGDYPIIYEJ-PXLXIMEGSA-N -1 0 516.384 6.426 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408790022 1069919116 /nfs/dbraw/zinc/91/91/16/1069919116.db2.gz QERRUGPEOCRHKZ-GIJQJNRQSA-N -1 0 641.799 6.905 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408786540 1069921437 /nfs/dbraw/zinc/92/14/37/1069921437.db2.gz KEPXLHKMMIIFIJ-VGOFMYFVSA-N -1 0 616.788 7.197 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408788009 1069925146 /nfs/dbraw/zinc/92/51/46/1069925146.db2.gz CDEKAXJHDTXDHJ-VXLYETTFSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408786634 1069922321 /nfs/dbraw/zinc/92/23/21/1069922321.db2.gz LKSMVTXKUFFUBZ-CIAFOILYSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408786926 1069923156 /nfs/dbraw/zinc/92/31/56/1069923156.db2.gz XWMACCQSSBUQBD-LPYMAVHISA-N -1 0 614.461 5.109 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408794639 1069927213 /nfs/dbraw/zinc/92/72/13/1069927213.db2.gz ADVLWOMYKQLLLH-RGVLZGJSSA-N -1 0 602.812 5.589 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1 ZINC000408796941 1069931511 /nfs/dbraw/zinc/93/15/11/1069931511.db2.gz FDTNXHUATHJBPH-RGVLZGJSSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408797108 1069931671 /nfs/dbraw/zinc/93/16/71/1069931671.db2.gz BFKPBIGFPGGXGH-DJKKODMXSA-N -1 0 531.779 5.901 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408798419 1069932954 /nfs/dbraw/zinc/93/29/54/1069932954.db2.gz IFPYAXWVJNMFBU-WOJGMQOQSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408799599 1069934604 /nfs/dbraw/zinc/93/46/04/1069934604.db2.gz HDFIGDHPKBVALP-LPYMAVHISA-N -1 0 504.970 5.519 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408801772 1069940476 /nfs/dbraw/zinc/94/04/76/1069940476.db2.gz VRUCAJOJGQWJLH-YBFXNURJSA-N -1 0 541.785 5.357 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408800778 1069937747 /nfs/dbraw/zinc/93/77/47/1069937747.db2.gz PJBYLQTYZUIAPV-JVWAILMASA-N -1 0 674.491 6.433 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408801210 1069938542 /nfs/dbraw/zinc/93/85/42/1069938542.db2.gz SILHFPWEEIVXLJ-NDZAJKAJSA-N -1 0 633.498 7.427 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000408801692 1069940376 /nfs/dbraw/zinc/94/03/76/1069940376.db2.gz VFMUNILSHFHJCK-HYARGMPZSA-N -1 0 518.953 5.071 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000408806992 1069942705 /nfs/dbraw/zinc/94/27/05/1069942705.db2.gz BTLQRFWVEKKSFQ-WSDLNYQXSA-N -1 0 520.441 6.136 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408802937 1069945644 /nfs/dbraw/zinc/94/56/44/1069945644.db2.gz JJHAPXAADUAOMN-ZVHZXABRSA-N -1 0 632.454 6.315 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408802586 1069944880 /nfs/dbraw/zinc/94/48/80/1069944880.db2.gz ZDORSRBGLSWEMP-REZTVBANSA-N -1 0 657.675 6.505 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408802436 1069945077 /nfs/dbraw/zinc/94/50/77/1069945077.db2.gz FAFAWTYGWCPZMP-RGVLZGJSSA-N -1 0 526.332 5.455 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408802665 1069945914 /nfs/dbraw/zinc/94/59/14/1069945914.db2.gz FWMLKLYCJZXBQU-RGVLZGJSSA-N -1 0 618.811 5.207 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408802711 1069945929 /nfs/dbraw/zinc/94/59/29/1069945929.db2.gz GJKJILCOPSNEAV-HYARGMPZSA-N -1 0 565.420 5.492 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408804717 1069950674 /nfs/dbraw/zinc/95/06/74/1069950674.db2.gz GWHFEBRSSILZKN-CIAFOILYSA-N -1 0 539.415 6.254 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408804454 1069950149 /nfs/dbraw/zinc/95/01/49/1069950149.db2.gz GGCYOYFQQWIKNQ-CPNJWEJPSA-N -1 0 525.344 5.025 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408804472 1069950176 /nfs/dbraw/zinc/95/01/76/1069950176.db2.gz AGLXUFXWFLLAFZ-WGOQTCKBSA-N -1 0 573.432 6.818 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1C ZINC000408805092 1069951469 /nfs/dbraw/zinc/95/14/69/1069951469.db2.gz DNPDJHLOXGAWCJ-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408805236 1069952537 /nfs/dbraw/zinc/95/25/37/1069952537.db2.gz FEACTFNYAJUWNL-UDWIEESQSA-N -1 0 586.357 5.074 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408805934 1069955066 /nfs/dbraw/zinc/95/50/66/1069955066.db2.gz CRHBHQICERVPHD-FYJGNVAPSA-N -1 0 541.785 5.357 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000408813335 1069957163 /nfs/dbraw/zinc/95/71/63/1069957163.db2.gz QDRYNQZWINYYEB-OVVQPSECSA-N -1 0 538.987 6.164 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408807995 1069958070 /nfs/dbraw/zinc/95/80/70/1069958070.db2.gz LYJXQDKNKLYWDD-KEBDBYFISA-N -1 0 602.812 5.507 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408808234 1069958872 /nfs/dbraw/zinc/95/88/72/1069958872.db2.gz FQMFSRUSAUYEPZ-HYARGMPZSA-N -1 0 504.970 5.601 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408808687 1069959577 /nfs/dbraw/zinc/95/95/77/1069959577.db2.gz MYJIZYHREXYUKU-DJKKODMXSA-N -1 0 604.284 6.627 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408808622 1069959626 /nfs/dbraw/zinc/95/96/26/1069959626.db2.gz QLFKAUMXWABPNS-MTDXEUNCSA-N -1 0 597.465 6.582 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408809989 1069962715 /nfs/dbraw/zinc/96/27/15/1069962715.db2.gz SVSCUHQLLNACEF-WGOQTCKBSA-N -1 0 629.507 6.954 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408810537 1069963801 /nfs/dbraw/zinc/96/38/01/1069963801.db2.gz TYRKUVACBYAHKE-LICLKQGHSA-N -1 0 667.681 5.961 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408810907 1069964537 /nfs/dbraw/zinc/96/45/37/1069964537.db2.gz NBZLIHNYXPIWRH-QGMBQPNBSA-N -1 0 590.803 6.199 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408808986 1069961318 /nfs/dbraw/zinc/96/13/18/1069961318.db2.gz GOZROGPJSHVRIA-YBFXNURJSA-N -1 0 515.780 6.201 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408809209 1069961463 /nfs/dbraw/zinc/96/14/63/1069961463.db2.gz RATOERQEQFGXMY-JVWAILMASA-N -1 0 661.936 7.326 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408811809 1069966899 /nfs/dbraw/zinc/96/68/99/1069966899.db2.gz OIBZUXMJDUYQQL-LICLKQGHSA-N -1 0 542.331 5.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408815683 1069971121 /nfs/dbraw/zinc/97/11/21/1069971121.db2.gz XVZZKDHUZATIAL-RGVLZGJSSA-N -1 0 616.262 5.561 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)c1 ZINC000408816363 1069972315 /nfs/dbraw/zinc/97/23/15/1069972315.db2.gz YJXUTFLUJWOJOK-FYJGNVAPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000408817343 1069974802 /nfs/dbraw/zinc/97/48/02/1069974802.db2.gz XPCDULTUMUZYQT-UFFVCSGVSA-N -1 0 554.886 6.790 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000408817589 1069974886 /nfs/dbraw/zinc/97/48/86/1069974886.db2.gz VXKVPRBVGPZXLJ-VUTHCHCSSA-N -1 0 532.596 6.128 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408818620 1069976772 /nfs/dbraw/zinc/97/67/72/1069976772.db2.gz XSBMJASSTUNORU-ZVHZXABRSA-N -1 0 577.033 5.778 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408818640 1069977829 /nfs/dbraw/zinc/97/78/29/1069977829.db2.gz PWZWGOAQRLPLRE-KOEQRZSOSA-N -1 0 657.590 7.024 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408813604 1069978575 /nfs/dbraw/zinc/97/85/75/1069978575.db2.gz OKLQQTBPSURGNE-CIAFOILYSA-N -1 0 541.785 5.357 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408814379 1069980577 /nfs/dbraw/zinc/98/05/77/1069980577.db2.gz PDKVYJLMRQUJQT-VCHYOVAHSA-N -1 0 681.708 6.270 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408824289 1069982493 /nfs/dbraw/zinc/98/24/93/1069982493.db2.gz GOQYKDNAKZXCFK-LQKURTRISA-N -1 0 631.512 7.525 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408815157 1069981885 /nfs/dbraw/zinc/98/18/85/1069981885.db2.gz QMKIDADJEXJWOI-WOJGMQOQSA-N -1 0 545.806 6.209 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1C ZINC000408824432 1069983399 /nfs/dbraw/zinc/98/33/99/1069983399.db2.gz QFBUXDCXYKSDOV-NDENLUEZSA-N -1 0 528.914 6.221 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408822595 1069983655 /nfs/dbraw/zinc/98/36/55/1069983655.db2.gz CHIXFIOJKQHISM-XEKZJJGPSA-N -1 0 774.317 10.015 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408822623 1069983715 /nfs/dbraw/zinc/98/37/15/1069983715.db2.gz CLLWQJLLCZGOEC-JVWAILMASA-N -1 0 658.461 6.190 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)c(OC)cc1Cl ZINC000408822853 1069984335 /nfs/dbraw/zinc/98/43/35/1069984335.db2.gz MNWDMEBNMMXGNS-RQZCQDPDSA-N -1 0 606.256 6.019 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408823034 1069985249 /nfs/dbraw/zinc/98/52/49/1069985249.db2.gz CDNGQDTUAZINKX-UZWMFBFFSA-N -1 0 603.074 7.626 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408824213 1069991353 /nfs/dbraw/zinc/99/13/53/1069991353.db2.gz GIWKOLKQCJYDDK-HACUMWRWSA-N -1 0 788.742 10.034 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408824183 1069991398 /nfs/dbraw/zinc/99/13/98/1069991398.db2.gz QAVNOFRJXUSPBJ-OGLFTAFQSA-N -1 0 782.735 9.279 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408819493 1069992023 /nfs/dbraw/zinc/99/20/23/1069992023.db2.gz XLKRABMKAXUTQB-MFKUBSTISA-N -1 0 690.490 6.184 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408821050 1069996120 /nfs/dbraw/zinc/99/61/20/1069996120.db2.gz BWGNFEDZYLXSJC-LQKURTRISA-N -1 0 675.963 7.634 40 10 KKCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408821699 1069998393 /nfs/dbraw/zinc/99/83/93/1069998393.db2.gz AGIKNUJCSNHECD-LPYMAVHISA-N -1 0 604.284 6.790 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4cc(Br)ccc4OCc4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000408822056 1070000802 /nfs/dbraw/zinc/00/08/02/1070000802.db2.gz BAKMFLVLOFAVFS-OGLMXYFKSA-N -1 0 642.462 6.490 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000408826883 1070004679 /nfs/dbraw/zinc/00/46/79/1070004679.db2.gz LCELQSGEDDBDRF-VFKNEVJASA-N -1 0 759.100 9.226 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c1 ZINC000408827166 1070005374 /nfs/dbraw/zinc/00/53/74/1070005374.db2.gz CLSYJZQMBQPDST-AVWBWWNXSA-N -1 0 738.682 8.881 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408827183 1070005616 /nfs/dbraw/zinc/00/56/16/1070005616.db2.gz KKURCERRHBEKKG-REOZKJJJSA-N -1 0 884.598 10.120 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408827865 1070008458 /nfs/dbraw/zinc/00/84/58/1070008458.db2.gz KWXSICKTKPHXHE-JQNJTNJDSA-N -1 0 796.762 9.588 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408825346 1070012606 /nfs/dbraw/zinc/01/26/06/1070012606.db2.gz BEQGOLHTHAJQQN-HMAPJEAMSA-N -1 0 564.947 7.066 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5cccc(C)c5)cc4)C3=O)cc2)cc1 ZINC000408828191 1070008829 /nfs/dbraw/zinc/00/88/29/1070008829.db2.gz LRBMRUITXISLJV-NDZAJKAJSA-N -1 0 532.596 6.128 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408824426 1070010015 /nfs/dbraw/zinc/01/00/15/1070010015.db2.gz HOOIURQWZNUGIN-OGLMXYFKSA-N -1 0 628.435 6.182 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408824635 1070010245 /nfs/dbraw/zinc/01/02/45/1070010245.db2.gz IQEQXZBFSRZVOW-ITWCPLIFSA-N -1 0 768.708 8.889 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408824639 1070010582 /nfs/dbraw/zinc/01/05/82/1070010582.db2.gz IRKAMGUHXPTYNX-KEBDBYFISA-N -1 0 599.467 6.272 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408824543 1070010709 /nfs/dbraw/zinc/01/07/09/1070010709.db2.gz QWKFHSJRIVKWQK-VFKNEVJASA-N -1 0 698.194 8.602 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408824809 1070011422 /nfs/dbraw/zinc/01/14/22/1070011422.db2.gz HTZZLPRHUFIHOF-FDAWAROLSA-N -1 0 623.492 7.971 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1cccc(C)c1 ZINC000408830177 1070017323 /nfs/dbraw/zinc/01/73/23/1070017323.db2.gz YGVGILIBIALWQE-UDWIEESQSA-N -1 0 550.995 5.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408831086 1070019957 /nfs/dbraw/zinc/01/99/57/1070019957.db2.gz PHTMBYNTAVLYHK-JFLMPSFJSA-N -1 0 631.512 7.443 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408831454 1070021126 /nfs/dbraw/zinc/02/11/26/1070021126.db2.gz ZQHKGERGEYPHGJ-MTDXEUNCSA-N -1 0 538.987 6.164 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408830346 1070017927 /nfs/dbraw/zinc/01/79/27/1070017927.db2.gz PEELMUDMSCHYGL-RDRPBHBLSA-N -1 0 667.943 8.080 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408830856 1070019267 /nfs/dbraw/zinc/01/92/67/1070019267.db2.gz GMLJKNXVMSRNRV-UFXSVIFDSA-N -1 0 710.230 8.472 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)sc2=N1 ZINC000408832529 1070023975 /nfs/dbraw/zinc/02/39/75/1070023975.db2.gz RCEAUEGKAHEONO-USDTVRPUSA-N -1 0 678.605 5.455 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4cc(Cl)ccc4OCc4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000408836318 1070026952 /nfs/dbraw/zinc/02/69/52/1070026952.db2.gz PXOZHXYCRYFIFR-OGLMXYFKSA-N -1 0 587.459 7.126 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408833552 1070030904 /nfs/dbraw/zinc/03/09/04/1070030904.db2.gz TXNVHNRKCRIUTP-MFKUBSTISA-N -1 0 618.429 6.726 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000408834045 1070032221 /nfs/dbraw/zinc/03/22/21/1070032221.db2.gz KYCBVOFJPPKWRX-OGLMXYFKSA-N -1 0 613.464 6.282 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408835292 1070036901 /nfs/dbraw/zinc/03/69/01/1070036901.db2.gz XBQATNPYUSNKOI-GIJQJNRQSA-N -1 0 616.410 5.563 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408834882 1070035487 /nfs/dbraw/zinc/03/54/87/1070035487.db2.gz XFOMLIDBYSSYMW-WPWMEQJKSA-N -1 0 628.037 6.471 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408837679 1070035580 /nfs/dbraw/zinc/03/55/80/1070035580.db2.gz LCNFKCKLUWVXCJ-PLNPHXOGSA-N -1 0 633.726 5.050 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408835190 1070036233 /nfs/dbraw/zinc/03/62/33/1070036233.db2.gz NABJDLOMBGMGCU-JFLMPSFJSA-N -1 0 652.328 7.580 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408835927 1070039027 /nfs/dbraw/zinc/03/90/27/1070039027.db2.gz YZSCWVLFTBCOLI-KUSGNEOTSA-N -1 0 774.317 9.933 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408835813 1070038224 /nfs/dbraw/zinc/03/82/24/1070038224.db2.gz YLJKPOFQTZFWIX-ZCTHSVRISA-N -1 0 712.394 8.189 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408841201 1070044020 /nfs/dbraw/zinc/04/40/20/1070044020.db2.gz JRTAKWITUBLDRF-LLXISZFLSA-N -1 0 633.726 5.050 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)sc2=N1 ZINC000408839970 1070042293 /nfs/dbraw/zinc/04/22/93/1070042293.db2.gz DUVVOGYRWHKGPN-PKYOQBLNSA-N -1 0 678.605 5.455 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408845871 1070052551 /nfs/dbraw/zinc/05/25/51/1070052551.db2.gz LXYLPTOSSICFGX-OKCVXOCRSA-N -1 0 594.683 6.938 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408845602 1070051879 /nfs/dbraw/zinc/05/18/79/1070051879.db2.gz GRXLLPKQQDKLCC-MHWRWJLKSA-N -1 0 735.168 6.613 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000408852572 1070059448 /nfs/dbraw/zinc/05/94/48/1070059448.db2.gz UJILEDPEYBFOFJ-MHWRWJLKSA-N -1 0 534.852 5.894 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408850515 1070064436 /nfs/dbraw/zinc/06/44/36/1070064436.db2.gz BHZPXOBDCBDLIN-MFKUBSTISA-N -1 0 508.534 5.189 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408856991 1070067670 /nfs/dbraw/zinc/06/76/70/1070067670.db2.gz MLIZQWBBBQZGOA-LUOAPIJWSA-N -1 0 710.452 8.478 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408854155 1070071690 /nfs/dbraw/zinc/07/16/90/1070071690.db2.gz YQKPNSULVSBLCE-MKMNVTDBSA-N -1 0 732.177 6.500 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1C ZINC000408854154 1070072099 /nfs/dbraw/zinc/07/20/99/1070072099.db2.gz YOUNNBRUTAXXBK-KEBDBYFISA-N -1 0 513.352 5.995 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1C ZINC000408855099 1070073969 /nfs/dbraw/zinc/07/39/69/1070073969.db2.gz DIEJEVKTDFGXHJ-KEBDBYFISA-N -1 0 676.261 5.824 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408855448 1070074432 /nfs/dbraw/zinc/07/44/32/1070074432.db2.gz DHSZEOJLRQRVNH-VCHYOVAHSA-N -1 0 606.775 5.338 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408864849 1070081769 /nfs/dbraw/zinc/08/17/69/1070081769.db2.gz ALQKDZGZSHRWHO-LICLKQGHSA-N -1 0 543.776 5.507 40 10 KKCBRM Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000408869883 1070081828 /nfs/dbraw/zinc/08/18/28/1070081828.db2.gz SJGCGQAWEVEZDX-TWKHWXDSSA-N -1 0 516.597 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Cl)c1 ZINC000408865947 1070084628 /nfs/dbraw/zinc/08/46/28/1070084628.db2.gz DZUKJBDXHJOBQZ-RQZCQDPDSA-N -1 0 564.650 6.667 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408868062 1070088924 /nfs/dbraw/zinc/08/89/24/1070088924.db2.gz NKUSQVYKKZYIFL-FSJBWODESA-N -1 0 581.894 6.684 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408868257 1070089449 /nfs/dbraw/zinc/08/94/49/1070089449.db2.gz OZESFSAJPQZWME-NDENLUEZSA-N -1 0 525.399 5.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(Cc2ccccc2F)ccc2ccccc21 ZINC000408870573 1070094046 /nfs/dbraw/zinc/09/40/46/1070094046.db2.gz GIPDFSNZTDUKSQ-LFVJCYFKSA-N -1 0 529.365 5.999 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408870915 1070094801 /nfs/dbraw/zinc/09/48/01/1070094801.db2.gz XJGHFHZHNUUAAY-UCQKPKSFSA-N -1 0 505.039 5.778 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408873439 1070099009 /nfs/dbraw/zinc/09/90/09/1070099009.db2.gz RGTQEIKRKDDJGL-MOSHPQCFSA-N -1 0 584.435 5.100 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(Cc2ccccc2Cl)ccc2ccccc21 ZINC000408874307 1070101622 /nfs/dbraw/zinc/10/16/22/1070101622.db2.gz BBBGGUHAKKHBSF-LFVJCYFKSA-N -1 0 501.369 6.404 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408879535 1070103207 /nfs/dbraw/zinc/10/32/07/1070103207.db2.gz FBKXQFOAVYZKFR-XDHOZWIPSA-N -1 0 647.263 5.698 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408879376 1070103219 /nfs/dbraw/zinc/10/32/19/1070103219.db2.gz FXEGMMQLJBQANJ-CIAFOILYSA-N -1 0 569.383 5.241 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408880300 1070106573 /nfs/dbraw/zinc/10/65/73/1070106573.db2.gz HEWDENUTRSHHIP-FYJGNVAPSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408880267 1070106598 /nfs/dbraw/zinc/10/65/98/1070106598.db2.gz HAEPNGKEBOMGFC-YBFXNURJSA-N -1 0 726.159 6.460 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(Br)c3)C2=O)c1 ZINC000408875764 1070108079 /nfs/dbraw/zinc/10/80/79/1070108079.db2.gz HNAUIECKKYHEHE-OEAKJJBVSA-N -1 0 503.396 5.632 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(C)c(C)c3)c(OC)c2)C1=O ZINC000408876701 1070110214 /nfs/dbraw/zinc/11/02/14/1070110214.db2.gz QCOBBCRLWSDSNZ-XKZIYDEJSA-N -1 0 563.448 5.882 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408878846 1070115984 /nfs/dbraw/zinc/11/59/84/1070115984.db2.gz CKSCULDEUANAIJ-KEBDBYFISA-N -1 0 557.803 5.816 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408883682 1070116768 /nfs/dbraw/zinc/11/67/68/1070116768.db2.gz RVQKCHXJOSRYLK-UDWIEESQSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408883397 1070116819 /nfs/dbraw/zinc/11/68/19/1070116819.db2.gz RAWVGQXAZPTLEM-CIAFOILYSA-N -1 0 642.300 5.654 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408883877 1070117672 /nfs/dbraw/zinc/11/76/72/1070117672.db2.gz RQCRBCUHLTYFCE-RGVLZGJSSA-N -1 0 553.840 5.985 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408884188 1070118416 /nfs/dbraw/zinc/11/84/16/1070118416.db2.gz XYVDYZQQQVQZKW-WOJGMQOQSA-N -1 0 529.351 5.777 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408884196 1070118488 /nfs/dbraw/zinc/11/84/88/1070118488.db2.gz WFZYEVYSXAIKNT-LICLKQGHSA-N -1 0 529.351 5.695 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1 ZINC000408881850 1070125028 /nfs/dbraw/zinc/12/50/28/1070125028.db2.gz KSMVZVLGMICERJ-PXLXIMEGSA-N -1 0 523.372 5.427 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408885559 1070121617 /nfs/dbraw/zinc/12/16/17/1070121617.db2.gz BYYGDYLTHFADIX-XDHOZWIPSA-N -1 0 586.357 5.074 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)cc2)C1=O ZINC000408880843 1070122407 /nfs/dbraw/zinc/12/24/07/1070122407.db2.gz ITDSUWRPNLUPSR-QNGOZBTKSA-N -1 0 505.368 5.257 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1Cl ZINC000408888370 1070129188 /nfs/dbraw/zinc/12/91/88/1070129188.db2.gz UVZIJTFDECWXNH-HZHRSRAPSA-N -1 0 575.846 6.810 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408882795 1070126773 /nfs/dbraw/zinc/12/67/73/1070126773.db2.gz SGOCALRWHKESGG-LDADJPATSA-N -1 0 556.210 5.457 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408889588 1070131856 /nfs/dbraw/zinc/13/18/56/1070131856.db2.gz FSCYRRLGJDFZMP-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1F ZINC000408889496 1070131875 /nfs/dbraw/zinc/13/18/75/1070131875.db2.gz DDTXFTKFOCNBOW-UDWIEESQSA-N -1 0 508.933 5.432 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408889748 1070132571 /nfs/dbraw/zinc/13/25/71/1070132571.db2.gz GSOIIKNTWLPWPM-UDWIEESQSA-N -1 0 589.851 5.153 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408891503 1070135519 /nfs/dbraw/zinc/13/55/19/1070135519.db2.gz RNRXGLNYMCSPHH-XDHOZWIPSA-N -1 0 569.795 5.135 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408886273 1070136341 /nfs/dbraw/zinc/13/63/41/1070136341.db2.gz JKEZSYAVIUNKOX-YBFXNURJSA-N -1 0 600.263 5.774 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408887347 1070137910 /nfs/dbraw/zinc/13/79/10/1070137910.db2.gz PWAPJNMSFTXYMK-HZHRSRAPSA-N -1 0 511.465 5.133 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408893708 1070140387 /nfs/dbraw/zinc/14/03/87/1070140387.db2.gz GXEGZGFRGUSMTB-YDZHTSKRSA-N -1 0 563.448 6.018 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C1=O ZINC000408893917 1070141157 /nfs/dbraw/zinc/14/11/57/1070141157.db2.gz GWUKRXWTFGEAHD-LDADJPATSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2cccc(Cl)c2)C1=O ZINC000408894054 1070141252 /nfs/dbraw/zinc/14/12/52/1070141252.db2.gz DEDUECINKSUUEH-MOSHPQCFSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408894394 1070142917 /nfs/dbraw/zinc/14/29/17/1070142917.db2.gz CILDZSZZIFTZKV-STZFKDTASA-N -1 0 569.839 6.137 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408894433 1070143643 /nfs/dbraw/zinc/14/36/43/1070143643.db2.gz CLNSVHJYHCYBTF-HAHDFKILSA-N -1 0 674.919 6.768 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)c1C ZINC000408895081 1070145322 /nfs/dbraw/zinc/14/53/22/1070145322.db2.gz LVZLGKIHMWAMRZ-DEDYPNTBSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408896207 1070149207 /nfs/dbraw/zinc/14/92/07/1070149207.db2.gz QHGHVMWYQMFHRY-RGVLZGJSSA-N -1 0 680.904 5.394 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc(F)c3)ccc3ccccc32)C1=O ZINC000408899821 1070160068 /nfs/dbraw/zinc/16/00/68/1070160068.db2.gz QXDMNGNHYSGSPR-HZHRSRAPSA-N -1 0 514.940 6.186 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C)c1 ZINC000408899844 1070160937 /nfs/dbraw/zinc/16/09/37/1070160937.db2.gz WEHIOLJKEVKYLC-BKUYFWCQSA-N -1 0 535.394 5.320 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408900087 1070161633 /nfs/dbraw/zinc/16/16/33/1070161633.db2.gz RLRLQIOGABLBCH-IMRQLAEWSA-N -1 0 541.003 6.527 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408900749 1070165127 /nfs/dbraw/zinc/16/51/27/1070165127.db2.gz UMPJQNPEWBXFAF-HMAPJEAMSA-N -1 0 569.839 6.137 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408901102 1070166107 /nfs/dbraw/zinc/16/61/07/1070166107.db2.gz VOGPTURVMYRYMW-QQXSKIMKSA-N -1 0 629.507 6.954 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408901171 1070166776 /nfs/dbraw/zinc/16/67/76/1070166776.db2.gz WOWOPJDBEHGXQF-ITYLOYPMSA-N -1 0 528.605 5.818 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408897221 1070170799 /nfs/dbraw/zinc/17/07/99/1070170799.db2.gz IJQCNAUYOJWASQ-USHMODERSA-N -1 0 520.585 6.182 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408897303 1070171623 /nfs/dbraw/zinc/17/16/23/1070171623.db2.gz IUQUSJGHHZEOPE-QRVIBDJDSA-N -1 0 605.872 6.818 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408901450 1070168509 /nfs/dbraw/zinc/16/85/09/1070168509.db2.gz YGKIINXRRNKMCW-UCQKPKSFSA-N -1 0 626.447 5.642 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408901656 1070169213 /nfs/dbraw/zinc/16/92/13/1070169213.db2.gz ZLYLCRZHEPKTLF-HMAPJEAMSA-N -1 0 569.441 6.426 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408901662 1070169334 /nfs/dbraw/zinc/16/93/34/1070169334.db2.gz ZMTPNCJTGRCMFP-NVMNQCDNSA-N -1 0 594.676 6.963 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408898832 1070176117 /nfs/dbraw/zinc/17/61/17/1070176117.db2.gz MVGGKEFXQQNJFF-BRPDVVIDSA-N -1 0 534.612 6.573 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408902036 1070173222 /nfs/dbraw/zinc/17/32/22/1070173222.db2.gz DVXFODBFXMJDCX-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408898004 1070173253 /nfs/dbraw/zinc/17/32/53/1070173253.db2.gz KJLKURKURZPPJQ-NHDPSOOVSA-N -1 0 681.310 6.641 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408898395 1070174802 /nfs/dbraw/zinc/17/48/02/1070174802.db2.gz KXCGCYDVJFMOGW-VXLYETTFSA-N -1 0 695.735 6.660 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408902838 1070184942 /nfs/dbraw/zinc/18/49/42/1070184942.db2.gz MBBVUTJDLBVNSP-CIAFOILYSA-N -1 0 612.864 5.494 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408903498 1070187212 /nfs/dbraw/zinc/18/72/12/1070187212.db2.gz YSDXBRVOYNQBPX-HYARGMPZSA-N -1 0 526.035 6.422 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408911345 1070204309 /nfs/dbraw/zinc/20/43/09/1070204309.db2.gz NAIYUACJIMAIIG-SSDVNMTOSA-N -1 0 718.260 6.434 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408911979 1070205649 /nfs/dbraw/zinc/20/56/49/1070205649.db2.gz PGEATXVUPRZMOU-QGMBQPNBSA-N -1 0 702.645 5.934 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408915127 1070215557 /nfs/dbraw/zinc/21/55/57/1070215557.db2.gz VAMGSXHHHUJDTM-ZMOGYAJESA-N -1 0 544.966 6.276 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408919145 1070234709 /nfs/dbraw/zinc/23/47/09/1070234709.db2.gz UAROKQDFPYXXPM-NVMNQCDNSA-N -1 0 579.864 6.595 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2cccc(F)c2)c1 ZINC000408933790 1070266848 /nfs/dbraw/zinc/26/68/48/1070266848.db2.gz BIJMRUBBFFZKMN-YBFXNURJSA-N -1 0 518.850 5.743 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408933876 1070267377 /nfs/dbraw/zinc/26/73/77/1070267377.db2.gz BVPYBWISVVQWSM-AFUMVMLFSA-N -1 0 671.942 6.968 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408934508 1070269587 /nfs/dbraw/zinc/26/95/87/1070269587.db2.gz DVRADWFOMDHWKA-ZMOGYAJESA-N -1 0 642.322 8.125 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408937015 1070279074 /nfs/dbraw/zinc/27/90/74/1070279074.db2.gz LZPOHLOQRCZKJL-YBFXNURJSA-N -1 0 527.758 5.054 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000408937769 1070292597 /nfs/dbraw/zinc/29/25/97/1070292597.db2.gz OPXYQTFCJUGSJW-PKAZHMFMSA-N -1 0 556.977 6.304 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408941642 1070290007 /nfs/dbraw/zinc/29/00/07/1070290007.db2.gz XMOMZJYJLYFKDH-BKUYFWCQSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408937321 1070291048 /nfs/dbraw/zinc/29/10/48/1070291048.db2.gz NYRYJRLWLUJOIO-JMIUGGIZSA-N -1 0 607.412 7.273 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408940982 1070287671 /nfs/dbraw/zinc/28/76/71/1070287671.db2.gz WEHNLDLZCXEACN-WOJGMQOQSA-N -1 0 527.758 5.054 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408949520 1070306333 /nfs/dbraw/zinc/30/63/33/1070306333.db2.gz IHIGWICMHUAKRL-CFRMEGHHSA-N -1 0 561.465 7.388 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408952595 1070314476 /nfs/dbraw/zinc/31/44/76/1070314476.db2.gz OKAXZLROVWZYAR-WKULSOCRSA-N -1 0 702.589 7.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408954698 1070318541 /nfs/dbraw/zinc/31/85/41/1070318541.db2.gz SHGAKAQFOPLRBW-FJEPWZHXSA-N -1 0 625.165 7.760 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408955177 1070318822 /nfs/dbraw/zinc/31/88/22/1070318822.db2.gz TVJCAYAYISWOFX-OKCVXOCRSA-N -1 0 576.693 6.717 40 10 KKCBRM Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 ZINC000408951066 1070319853 /nfs/dbraw/zinc/31/98/53/1070319853.db2.gz KVVXWGRKXQYZFS-LQKURTRISA-N -1 0 505.618 5.920 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)c1 ZINC000408970748 1070335203 /nfs/dbraw/zinc/33/52/03/1070335203.db2.gz DAVVBJWSZPDVTK-JMIUGGIZSA-N -1 0 523.504 5.399 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408981943 1070339744 /nfs/dbraw/zinc/33/97/44/1070339744.db2.gz FEDLBRPZPXZWHQ-XKZIYDEJSA-N -1 0 722.317 6.102 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408982097 1070339981 /nfs/dbraw/zinc/33/99/81/1070339981.db2.gz FROMPTOQSATMKA-NVMNQCDNSA-N -1 0 608.703 7.217 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(I)cc4)cc3Br)C2=O)cc1 ZINC000408982641 1070340890 /nfs/dbraw/zinc/34/08/90/1070340890.db2.gz IRQMVBCHUBSQNH-MTJSOVHGSA-N -1 0 661.290 5.870 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000408982876 1070341469 /nfs/dbraw/zinc/34/14/69/1070341469.db2.gz ISZFMDBDDDRZJF-UWVJOHFNSA-N -1 0 660.848 5.626 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408982886 1070341548 /nfs/dbraw/zinc/34/15/48/1070341548.db2.gz ITGDKUJWTQUFLA-OCKHKDLRSA-N -1 0 556.358 5.464 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1Cl ZINC000408983002 1070341591 /nfs/dbraw/zinc/34/15/91/1070341591.db2.gz JNFMASBGHXBERG-LSCVHKIXSA-N -1 0 730.578 7.023 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1 ZINC000408983080 1070342287 /nfs/dbraw/zinc/34/22/87/1070342287.db2.gz KFECXSFFYUIYEQ-OCKHKDLRSA-N -1 0 747.154 7.010 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408981357 1070339084 /nfs/dbraw/zinc/33/90/84/1070339084.db2.gz AVYYVFLDFGMQDV-XYGWBWBKSA-N -1 0 555.428 6.410 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)[N-]C2=S)cc1 ZINC000408992616 1070359619 /nfs/dbraw/zinc/35/96/19/1070359619.db2.gz SQAZSVCEIPTUTB-PXLXIMEGSA-N -1 0 622.709 5.981 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408989003 1070361959 /nfs/dbraw/zinc/36/19/59/1070361959.db2.gz GKWCXOVTPXAWKI-XDHOZWIPSA-N -1 0 561.044 6.087 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408993826 1070369159 /nfs/dbraw/zinc/36/91/59/1070369159.db2.gz XATJEWNOMJKJIC-SFQUDFHCSA-N -1 0 516.560 5.331 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409018451 1070393248 /nfs/dbraw/zinc/39/32/48/1070393248.db2.gz MFOMCLWFTQXHBL-GXDHUFHOSA-N -1 0 525.891 6.691 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409024525 1070408159 /nfs/dbraw/zinc/40/81/59/1070408159.db2.gz CNTRVZJYKRIJDQ-YBFXNURJSA-N -1 0 601.207 5.365 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1 ZINC000409039669 1070431245 /nfs/dbraw/zinc/43/12/45/1070431245.db2.gz CXCVCANFJWKQHZ-OVVQPSECSA-N -1 0 582.012 5.603 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1 ZINC000409046724 1070443101 /nfs/dbraw/zinc/44/31/01/1070443101.db2.gz LQDRNLRCEMKXNI-RGVLZGJSSA-N -1 0 604.226 5.605 40 10 KKCBRM CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409046118 1070455353 /nfs/dbraw/zinc/45/53/53/1070455353.db2.gz IQNOCKJBFOSOHM-MKMNVTDBSA-N -1 0 502.181 6.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409047530 1070458820 /nfs/dbraw/zinc/45/88/20/1070458820.db2.gz OGCJGCQRFCPNKR-VCHYOVAHSA-N -1 0 590.655 6.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409048079 1070460780 /nfs/dbraw/zinc/46/07/80/1070460780.db2.gz RBBXSVJRMFFKRH-VXLYETTFSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409056946 1070469468 /nfs/dbraw/zinc/46/94/68/1070469468.db2.gz NSMTVUZPDXWQLF-JVWAILMASA-N -1 0 670.516 6.029 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409057554 1070470051 /nfs/dbraw/zinc/47/00/51/1070470051.db2.gz PVELARCOLYZHFT-VCHYOVAHSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409069277 1070481753 /nfs/dbraw/zinc/48/17/53/1070481753.db2.gz VKZJBAVSDOTUJO-LICLKQGHSA-N -1 0 513.337 5.284 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409077301 1070492256 /nfs/dbraw/zinc/49/22/56/1070492256.db2.gz DTJCBPUIDQXXIP-RQZCQDPDSA-N -1 0 683.333 5.694 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087619 1070521172 /nfs/dbraw/zinc/52/11/72/1070521172.db2.gz CKCVVLAQTBDISV-RQZCQDPDSA-N -1 0 665.331 6.142 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409090421 1070525001 /nfs/dbraw/zinc/52/50/01/1070525001.db2.gz PKSRVKCZFILDOG-RQZCQDPDSA-N -1 0 591.882 5.743 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409099501 1070532702 /nfs/dbraw/zinc/53/27/02/1070532702.db2.gz NUTJHUYLEBONRN-FYJGNVAPSA-N -1 0 503.986 5.622 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1C ZINC000409132102 1070550901 /nfs/dbraw/zinc/55/09/01/1070550901.db2.gz LDPXLAUPXSWAES-ANYBSYGZSA-N -1 0 553.687 7.259 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12 ZINC000409139299 1070562831 /nfs/dbraw/zinc/56/28/31/1070562831.db2.gz CKAATWPLNBWTEZ-BUVRLJJBSA-N -1 0 544.405 5.145 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c1 ZINC000409163871 1070582485 /nfs/dbraw/zinc/58/24/85/1070582485.db2.gz YXUBNXSREYSITG-GRSHGNNSSA-N -1 0 517.346 5.627 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409172114 1070587751 /nfs/dbraw/zinc/58/77/51/1070587751.db2.gz HVPQHOJBWBPGNU-OOAXWGSJSA-N -1 0 590.104 7.305 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185650 1070605477 /nfs/dbraw/zinc/60/54/77/1070605477.db2.gz NZHWEFYWEQEPHE-YKBWLXFDSA-N -1 0 671.775 7.346 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000409227078 1070644755 /nfs/dbraw/zinc/64/47/55/1070644755.db2.gz XGSZFHROLUUICL-HYARGMPZSA-N -1 0 554.386 5.076 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223781 1070650934 /nfs/dbraw/zinc/65/09/34/1070650934.db2.gz HQAZDMVJBJOJOQ-YBFXNURJSA-N -1 0 694.309 5.989 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409247170 1070663291 /nfs/dbraw/zinc/66/32/91/1070663291.db2.gz BMSNDSNBECQNAA-CEUNXORHSA-N -1 0 619.674 5.965 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409250173 1070667090 /nfs/dbraw/zinc/66/70/90/1070667090.db2.gz LNLVMDKSSQSNCU-RQZCQDPDSA-N -1 0 588.831 5.648 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409241014 1070667913 /nfs/dbraw/zinc/66/79/13/1070667913.db2.gz WFIFOZNXPHNTNK-LFVJCYFKSA-N -1 0 522.029 6.328 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254454 1070672720 /nfs/dbraw/zinc/67/27/20/1070672720.db2.gz DHUKXJKZTBCGCZ-DICXZTSXSA-N -1 0 718.988 7.073 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409254670 1070672756 /nfs/dbraw/zinc/67/27/56/1070672756.db2.gz JCRONWJTPQBWGS-DJKKODMXSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000409258829 1070680493 /nfs/dbraw/zinc/68/04/93/1070680493.db2.gz VPHDYEJAMAHHLV-FBHDLOMBSA-N -1 0 675.761 6.474 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409258793 1070680514 /nfs/dbraw/zinc/68/05/14/1070680514.db2.gz VYSPGCLKOCRRAT-XKZIYDEJSA-N -1 0 592.446 5.149 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409253421 1070686121 /nfs/dbraw/zinc/68/61/21/1070686121.db2.gz GAHCEYKFFAWMAH-SRZZPIQSSA-N -1 0 687.918 5.952 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409253284 1070686175 /nfs/dbraw/zinc/68/61/75/1070686175.db2.gz WQWVJKPFSFOHKE-KEBDBYFISA-N -1 0 558.805 5.639 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409252375 1070683918 /nfs/dbraw/zinc/68/39/18/1070683918.db2.gz SFHZJZUAMPAPQU-CXUHLZMHSA-N -1 0 562.768 5.470 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1 ZINC000409266853 1070691206 /nfs/dbraw/zinc/69/12/06/1070691206.db2.gz RUFLLUOGFZSTSC-LPYMAVHISA-N -1 0 622.472 5.157 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1OCC ZINC000409268071 1070693554 /nfs/dbraw/zinc/69/35/54/1070693554.db2.gz XYXYLARCHKOYKK-OEAKJJBVSA-N -1 0 713.525 5.480 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409260360 1070695464 /nfs/dbraw/zinc/69/54/64/1070695464.db2.gz PFPSZCVRCLVKKT-LPYMAVHISA-N -1 0 578.021 5.048 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409260268 1070695630 /nfs/dbraw/zinc/69/56/30/1070695630.db2.gz NNQLGKJBAAYOOR-CIAFOILYSA-N -1 0 671.342 5.911 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1Cl ZINC000409260564 1070695700 /nfs/dbraw/zinc/69/57/00/1070695700.db2.gz SDDYPSFKOMUGBT-VXLYETTFSA-N -1 0 586.801 5.234 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409261705 1070697682 /nfs/dbraw/zinc/69/76/82/1070697682.db2.gz CYRVUABZXDAUAU-NDENLUEZSA-N -1 0 584.879 5.260 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409270062 1070704818 /nfs/dbraw/zinc/70/48/18/1070704818.db2.gz FOWVTARSCZSYCQ-SSDVNMTOSA-N -1 0 523.998 5.429 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409270435 1070705867 /nfs/dbraw/zinc/70/58/67/1070705867.db2.gz FXNTWQWNULHBQO-UUYOSTAYSA-N -1 0 562.022 5.266 40 10 KKCBRM Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1 ZINC000409274294 1070715027 /nfs/dbraw/zinc/71/50/27/1070715027.db2.gz OQSWYINLGWLDTD-SRZZPIQSSA-N -1 0 510.955 5.590 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Br)c3)C2=O)cc1C ZINC000408881074 1070784164 /nfs/dbraw/zinc/78/41/64/1070784164.db2.gz LQKNIRUNJIPAMS-CIAFOILYSA-N -1 0 507.359 5.462 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000408881176 1070784671 /nfs/dbraw/zinc/78/46/71/1070784671.db2.gz IIQNHZWLCSPUCA-BKUYFWCQSA-N -1 0 521.436 5.476 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1 ZINC000408880589 1070787514 /nfs/dbraw/zinc/78/75/14/1070787514.db2.gz JYZPPXAKAIFUDK-WPWMEQJKSA-N -1 0 540.978 6.315 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408880494 1070787594 /nfs/dbraw/zinc/78/75/94/1070787594.db2.gz KEXSOJLTQLVBFF-NDENLUEZSA-N -1 0 602.425 5.239 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)C1=O ZINC000408879415 1070794908 /nfs/dbraw/zinc/79/49/08/1070794908.db2.gz FZEZXFFPNZXNCL-NDENLUEZSA-N -1 0 525.388 5.810 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)C1=O ZINC000408879287 1070795323 /nfs/dbraw/zinc/79/53/23/1070795323.db2.gz DTHJXZCOTKWKBO-STZFKDTASA-N -1 0 539.813 5.910 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408879180 1070795394 /nfs/dbraw/zinc/79/53/94/1070795394.db2.gz BYVWBXJWANODBV-ODLFYWEKSA-N -1 0 553.384 5.459 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408879173 1070796814 /nfs/dbraw/zinc/79/68/14/1070796814.db2.gz CVRWAEVPWLTZOT-UDWIEESQSA-N -1 0 600.384 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408878845 1070798133 /nfs/dbraw/zinc/79/81/33/1070798133.db2.gz CKCMGRWUYFOOFR-VXLYETTFSA-N -1 0 592.248 6.551 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000408878843 1070798226 /nfs/dbraw/zinc/79/82/26/1070798226.db2.gz CIRLYKRLFJDQEM-NDZAJKAJSA-N -1 0 595.493 6.902 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408878376 1070799863 /nfs/dbraw/zinc/79/98/63/1070799863.db2.gz AYWZSHJYQPFRME-WJDWOHSUSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408878201 1070800718 /nfs/dbraw/zinc/80/07/18/1070800718.db2.gz YDCVVIXQPUFHSE-CAOOACKPSA-N -1 0 594.676 6.675 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408888991 1070809799 /nfs/dbraw/zinc/80/97/99/1070809799.db2.gz AHZIRYKWAVWSEQ-CIAFOILYSA-N -1 0 553.442 6.563 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(Cc2ccccc2F)c(Cl)c1 ZINC000408877774 1070803873 /nfs/dbraw/zinc/80/38/73/1070803873.db2.gz YLCHJBHWJRMWAV-WGOQTCKBSA-N -1 0 540.978 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2F)c(Cl)c1 ZINC000408877742 1070804028 /nfs/dbraw/zinc/80/40/28/1070804028.db2.gz YFFNCSRBSMMCPV-RQZCQDPDSA-N -1 0 503.744 6.043 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408889019 1070809202 /nfs/dbraw/zinc/80/92/02/1070809202.db2.gz ARFRCIJJFDWBOT-RCCKNPSSSA-N -1 0 561.819 6.501 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408877644 1070805614 /nfs/dbraw/zinc/80/56/14/1070805614.db2.gz WSPLGVHZCHSKSU-FYJGNVAPSA-N -1 0 523.814 5.922 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408877646 1070806263 /nfs/dbraw/zinc/80/62/63/1070806263.db2.gz XAWOUHMRWXANKT-RGVLZGJSSA-N -1 0 543.776 5.507 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408877323 1070808435 /nfs/dbraw/zinc/80/84/35/1070808435.db2.gz USZKJVYMJKZREG-CIAFOILYSA-N -1 0 614.290 5.876 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408877321 1070808639 /nfs/dbraw/zinc/80/86/39/1070808639.db2.gz USNDYTRAPRUUPP-ZDLGFXPLSA-N -1 0 561.874 6.456 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Br)c3)C2=O)c(C)c1 ZINC000408877287 1070808703 /nfs/dbraw/zinc/80/87/03/1070808703.db2.gz UYLBMEZTRGSMEE-UDWIEESQSA-N -1 0 507.359 5.462 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408888934 1070811009 /nfs/dbraw/zinc/81/10/09/1070811009.db2.gz CWYOPUZHKGZRJM-YBFXNURJSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408888861 1070811441 /nfs/dbraw/zinc/81/14/41/1070811441.db2.gz BZWMLPXSDMWGDS-WSDLNYQXSA-N -1 0 504.970 5.519 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Br)C1=O ZINC000408888475 1070815068 /nfs/dbraw/zinc/81/50/68/1070815068.db2.gz VUDHTXAMPWRVSH-CPNJWEJPSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408887578 1070819166 /nfs/dbraw/zinc/81/91/66/1070819166.db2.gz RXRZKTWNXUIZBC-ATVHPVEESA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408887291 1070820752 /nfs/dbraw/zinc/82/07/52/1070820752.db2.gz PIFRGKODAZOILX-WSDLNYQXSA-N -1 0 610.448 5.779 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408887274 1070821243 /nfs/dbraw/zinc/82/12/43/1070821243.db2.gz PDZILJCYOPUDNY-WSDLNYQXSA-N -1 0 565.420 5.329 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)cc1 ZINC000408896729 1070827792 /nfs/dbraw/zinc/82/77/92/1070827792.db2.gz HQNMNJJDEPLEGH-ZHZULCJRSA-N -1 0 501.377 5.082 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4F)ccc4ccccc43)C2=O)ccc1Br ZINC000408896749 1070827907 /nfs/dbraw/zinc/82/79/07/1070827907.db2.gz HUJTVZSXDUNOGT-HAHDFKILSA-N -1 0 559.391 6.295 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408896697 1070828069 /nfs/dbraw/zinc/82/80/69/1070828069.db2.gz HLLDGGFSKMRRBC-ZDLGFXPLSA-N -1 0 665.253 5.755 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408896651 1070830896 /nfs/dbraw/zinc/83/08/96/1070830896.db2.gz GXAINKPGNMOZAS-PKAZHMFMSA-N -1 0 643.534 7.344 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408895877 1070838851 /nfs/dbraw/zinc/83/88/51/1070838851.db2.gz FZKJRVSHQDIJQJ-ULJHMMPZSA-N -1 0 549.421 5.873 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408895851 1070838965 /nfs/dbraw/zinc/83/89/65/1070838965.db2.gz FWDCONNORSVPBM-XKZIYDEJSA-N -1 0 610.417 5.400 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408895757 1070841273 /nfs/dbraw/zinc/84/12/73/1070841273.db2.gz FNOPWQCOHNOLLE-XKZIYDEJSA-N -1 0 538.959 5.522 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408895621 1070843204 /nfs/dbraw/zinc/84/32/04/1070843204.db2.gz NRWCXPKSSIVLBM-MFKUBSTISA-N -1 0 694.909 6.778 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2)cc1 ZINC000408895494 1070844837 /nfs/dbraw/zinc/84/48/37/1070844837.db2.gz HXCVLZODJPWMDO-HMAPJEAMSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408894677 1070851255 /nfs/dbraw/zinc/85/12/55/1070851255.db2.gz IRDLBWVGUYFDJC-UDWIEESQSA-N -1 0 567.411 5.849 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408894733 1070851719 /nfs/dbraw/zinc/85/17/19/1070851719.db2.gz JBDGOYLUAHZMGD-MHWRWJLKSA-N -1 0 623.230 5.852 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000408894742 1070852209 /nfs/dbraw/zinc/85/22/09/1070852209.db2.gz JCQKQBPHIZLTRK-WSDLNYQXSA-N -1 0 553.840 6.273 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408894461 1070855533 /nfs/dbraw/zinc/85/55/33/1070855533.db2.gz COPMYGPHXKNJEV-IMRQLAEWSA-N -1 0 541.003 6.527 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C1=O ZINC000408894391 1070854288 /nfs/dbraw/zinc/85/42/88/1070854288.db2.gz CHYJMGKHPGHUKR-UNOMPAQXSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1Br ZINC000408894384 1070854775 /nfs/dbraw/zinc/85/47/75/1070854775.db2.gz CHCAPKWTRAMSDH-UNOMPAQXSA-N -1 0 600.263 5.774 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408894344 1070857360 /nfs/dbraw/zinc/85/73/60/1070857360.db2.gz CEMLJZLSYRTLNS-IWIPYMOSSA-N -1 0 585.454 6.473 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408894309 1070857550 /nfs/dbraw/zinc/85/75/50/1070857550.db2.gz CAQBWLDKPVKHEE-HAHDFKILSA-N -1 0 549.421 5.792 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408894189 1070859307 /nfs/dbraw/zinc/85/93/07/1070859307.db2.gz BNLHDLDZDDRXNK-ULJHMMPZSA-N -1 0 504.970 5.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408893860 1070860509 /nfs/dbraw/zinc/86/05/09/1070860509.db2.gz GJKYOJXVVMCTMZ-OVVQPSECSA-N -1 0 627.491 6.672 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409339210 1070862131 /nfs/dbraw/zinc/86/21/31/1070862131.db2.gz FRHNYZZEJCYMHM-YBFXNURJSA-N -1 0 642.949 6.140 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408893751 1070862219 /nfs/dbraw/zinc/86/22/19/1070862219.db2.gz HHRVQHMIFUXUOD-XDHOZWIPSA-N -1 0 511.361 5.556 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 ZINC000408893427 1070865020 /nfs/dbraw/zinc/86/50/20/1070865020.db2.gz ALKLONUCWQNGOH-ULJHMMPZSA-N -1 0 504.970 5.764 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408893437 1070865206 /nfs/dbraw/zinc/86/52/06/1070865206.db2.gz ANUOYHIKZUAENR-MTJSOVHGSA-N -1 0 603.886 7.080 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893471 1070865970 /nfs/dbraw/zinc/86/59/70/1070865970.db2.gz ASYOPKCTBVWFKW-NDENLUEZSA-N -1 0 725.355 5.503 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1Br ZINC000408893463 1070866241 /nfs/dbraw/zinc/86/62/41/1070866241.db2.gz GFZOMDKJAJBBMY-KGENOOAVSA-N -1 0 549.421 5.710 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408892536 1070871844 /nfs/dbraw/zinc/87/18/44/1070871844.db2.gz CFMFPYFFVNJYEF-VCHYOVAHSA-N -1 0 620.681 6.119 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408892339 1070872116 /nfs/dbraw/zinc/87/21/16/1070872116.db2.gz YSEQTTQILWPRFD-GIJQJNRQSA-N -1 0 590.257 6.318 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)cc1 ZINC000408892194 1070873262 /nfs/dbraw/zinc/87/32/62/1070873262.db2.gz XSIUWZJEDXGSQZ-XDHOZWIPSA-N -1 0 614.246 5.244 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891991 1070875380 /nfs/dbraw/zinc/87/53/80/1070875380.db2.gz WWDCTFJSTWLEMP-GIJQJNRQSA-N -1 0 667.681 5.961 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409362070 1070878367 /nfs/dbraw/zinc/87/83/67/1070878367.db2.gz FKDDAOWBCMHOGJ-UUYOSTAYSA-N -1 0 657.436 5.130 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408891255 1070879022 /nfs/dbraw/zinc/87/90/22/1070879022.db2.gz NNWPPYBAXVJXFD-YBFXNURJSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1Br ZINC000408891277 1070879305 /nfs/dbraw/zinc/87/93/05/1070879305.db2.gz NZUGZMRDERVUGU-DEDYPNTBSA-N -1 0 535.394 5.320 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Br ZINC000408891185 1070879618 /nfs/dbraw/zinc/87/96/18/1070879618.db2.gz MRSHPUGSCVINHF-CPNJWEJPSA-N -1 0 556.210 5.457 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408889845 1070885481 /nfs/dbraw/zinc/88/54/81/1070885481.db2.gz JUKATQCGUSSGQA-VXLYETTFSA-N -1 0 543.378 6.085 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408889396 1070888013 /nfs/dbraw/zinc/88/80/13/1070888013.db2.gz GCRJIBDXDMKOPZ-KGENOOAVSA-N -1 0 551.393 5.102 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408889657 1070888286 /nfs/dbraw/zinc/88/82/86/1070888286.db2.gz IOEWNHXBICDSSP-CIAFOILYSA-N -1 0 504.970 5.519 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)C(=O)[N-]C2=S)cc1 ZINC000409375525 1070888643 /nfs/dbraw/zinc/88/86/43/1070888643.db2.gz MBNHLKHONRNZON-FYJGNVAPSA-N -1 0 511.430 5.966 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408889401 1070889026 /nfs/dbraw/zinc/88/90/26/1070889026.db2.gz GEYRVKKQXPMTCX-UDWIEESQSA-N -1 0 545.400 5.044 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408904179 1070900700 /nfs/dbraw/zinc/90/07/00/1070900700.db2.gz FYRDHMOEXPOGGN-CIAFOILYSA-N -1 0 521.367 5.541 40 10 KKCBRM Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384388 1070901868 /nfs/dbraw/zinc/90/18/68/1070901868.db2.gz CAJIYVWHUSPOGM-NDENLUEZSA-N -1 0 510.015 5.479 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000408903785 1070901968 /nfs/dbraw/zinc/90/19/68/1070901968.db2.gz ZAUIGPJEPRDCML-VGSSETLESA-N -1 0 521.795 5.345 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OC(C)C ZINC000408903797 1070902103 /nfs/dbraw/zinc/90/21/03/1070902103.db2.gz ZJVLUWVUVFOUGA-CXUHLZMHSA-N -1 0 552.219 5.064 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408903586 1070902657 /nfs/dbraw/zinc/90/26/57/1070902657.db2.gz TWHHIVNUEDFIGH-BUVRLJJBSA-N -1 0 545.364 5.987 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408902779 1070909090 /nfs/dbraw/zinc/90/90/90/1070909090.db2.gz RGQCKBGXMSNRJX-FYJGNVAPSA-N -1 0 556.459 6.141 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409410078 1070919397 /nfs/dbraw/zinc/91/93/97/1070919397.db2.gz YMWSFTZWGIEEMP-VXLYETTFSA-N -1 0 548.220 5.805 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1F ZINC000408901590 1070919543 /nfs/dbraw/zinc/91/95/43/1070919543.db2.gz YZKVXZYJMGEZHR-MOSHPQCFSA-N -1 0 553.384 5.541 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408901613 1070919600 /nfs/dbraw/zinc/91/96/00/1070919600.db2.gz ZDMXYMWLNDTVFT-JLPGSUDCSA-N -1 0 504.970 5.683 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409400516 1070914942 /nfs/dbraw/zinc/91/49/42/1070914942.db2.gz SHVZVFDEMLUTBU-IUXPMGMMSA-N -1 0 691.090 6.243 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccccc1Cl ZINC000409400155 1070915017 /nfs/dbraw/zinc/91/50/17/1070915017.db2.gz PLIYZTHVRQOXHI-WQRHYEAKSA-N -1 0 528.746 5.051 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408901630 1070919679 /nfs/dbraw/zinc/91/96/79/1070919679.db2.gz ZHBGHJFHAZSRMB-VEILYXNESA-N -1 0 704.561 7.576 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408901670 1070916779 /nfs/dbraw/zinc/91/67/79/1070916779.db2.gz ZNGCCPOKSWJUHW-IMRQLAEWSA-N -1 0 569.057 7.226 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408901538 1070917961 /nfs/dbraw/zinc/91/79/61/1070917961.db2.gz YQLOMCANXBISKK-GRSHGNNSSA-N -1 0 590.257 6.318 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408901773 1070917986 /nfs/dbraw/zinc/91/79/86/1070917986.db2.gz ZXVIMHIHWXJVIF-XYGWBWBKSA-N -1 0 579.447 5.882 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408901517 1070918071 /nfs/dbraw/zinc/91/80/71/1070918071.db2.gz YLEFBTHHVAHYAG-UCQKPKSFSA-N -1 0 579.993 5.681 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408901547 1070918832 /nfs/dbraw/zinc/91/88/32/1070918832.db2.gz GIRKHRJJMSIBOL-HYARGMPZSA-N -1 0 617.486 6.373 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408901296 1070922504 /nfs/dbraw/zinc/92/25/04/1070922504.db2.gz WXSXNAISZVVJJY-JWGURIENSA-N -1 0 539.415 6.418 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408901288 1070922543 /nfs/dbraw/zinc/92/25/43/1070922543.db2.gz WVCICSUTYUTTSR-UDWIEESQSA-N -1 0 598.837 5.185 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000408901087 1070923756 /nfs/dbraw/zinc/92/37/56/1070923756.db2.gz VJMFUQAKWJXCBU-ODLFYWEKSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000408901173 1070925020 /nfs/dbraw/zinc/92/50/20/1070925020.db2.gz WPGHPVXMVQYRNZ-VZWMTCDZSA-N -1 0 568.795 5.187 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408901156 1070925129 /nfs/dbraw/zinc/92/51/29/1070925129.db2.gz WLHHIVLHUVALAK-XKZIYDEJSA-N -1 0 535.394 5.320 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408901170 1070925221 /nfs/dbraw/zinc/92/52/21/1070925221.db2.gz WNRDPRXYAATXEQ-HMAPJEAMSA-N -1 0 658.343 6.645 40 10 KKCBRM COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409409505 1070927237 /nfs/dbraw/zinc/92/72/37/1070927237.db2.gz VVAMDFFIKPHAAP-UNOMPAQXSA-N -1 0 558.226 5.261 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408900423 1070933704 /nfs/dbraw/zinc/93/37/04/1070933704.db2.gz SLDSUCLSUQONBZ-OYKKKHCWSA-N -1 0 725.377 7.468 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408900767 1070929841 /nfs/dbraw/zinc/92/98/41/1070929841.db2.gz URICIQIVOKROMD-ODLFYWEKSA-N -1 0 543.776 5.795 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408900345 1070932161 /nfs/dbraw/zinc/93/21/61/1070932161.db2.gz SBDWEESEIBPHHX-QQXSKIMKSA-N -1 0 615.480 6.645 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408900186 1070938603 /nfs/dbraw/zinc/93/86/03/1070938603.db2.gz XKHLVGSORWGRPE-XYGWBWBKSA-N -1 0 555.428 6.465 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408899953 1070939400 /nfs/dbraw/zinc/93/94/00/1070939400.db2.gz QRLQNCNHKHDWNW-OYKKKHCWSA-N -1 0 633.926 7.517 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000408900470 1070934656 /nfs/dbraw/zinc/93/46/56/1070934656.db2.gz SVCPCUPFZBONCQ-HAHDFKILSA-N -1 0 549.967 5.673 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408900336 1070936422 /nfs/dbraw/zinc/93/64/22/1070936422.db2.gz VEOPIQAAWGUWOH-VCHYOVAHSA-N -1 0 531.779 5.901 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC ZINC000408900337 1070936536 /nfs/dbraw/zinc/93/65/36/1070936536.db2.gz RZZYWMOWRIDTQE-YBEGLDIGSA-N -1 0 566.246 5.374 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(OC)c2)C1=O ZINC000408900320 1070936724 /nfs/dbraw/zinc/93/67/24/1070936724.db2.gz VCMHXRGOIKBSOH-ZHZULCJRSA-N -1 0 535.394 5.266 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)cc1 ZINC000408900013 1070940328 /nfs/dbraw/zinc/94/03/28/1070940328.db2.gz SFYVTUAYZBKRIR-XDHOZWIPSA-N -1 0 586.236 5.466 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408899421 1070946481 /nfs/dbraw/zinc/94/64/81/1070946481.db2.gz PELKATFRDCPPNI-KQWNVCNZSA-N -1 0 518.541 5.259 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408899368 1070945720 /nfs/dbraw/zinc/94/57/20/1070945720.db2.gz OUPMXTGSZQVUKS-HMAPJEAMSA-N -1 0 552.986 5.912 40 10 KKCBRM Cc1cccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1 ZINC000408899364 1070945830 /nfs/dbraw/zinc/94/58/30/1070945830.db2.gz UAGNPJJESMMDDG-STZFKDTASA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000408899775 1070940984 /nfs/dbraw/zinc/94/09/84/1070940984.db2.gz QGRRGDVGSWZOFJ-UCQKPKSFSA-N -1 0 620.297 6.919 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)c1C ZINC000408899866 1070942313 /nfs/dbraw/zinc/94/23/13/1070942313.db2.gz RFLCWVARVPUTDO-XDHOZWIPSA-N -1 0 523.358 5.450 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408899712 1070942932 /nfs/dbraw/zinc/94/29/32/1070942932.db2.gz PZVLFLRLGYWIRD-OYKKKHCWSA-N -1 0 549.023 6.000 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408899297 1070947991 /nfs/dbraw/zinc/94/79/91/1070947991.db2.gz ODVXRDCRIKVDLD-HAHDFKILSA-N -1 0 658.464 6.253 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Cl)c1 ZINC000408898788 1070952738 /nfs/dbraw/zinc/95/27/38/1070952738.db2.gz MQUWVBZYCKTVLX-NDENLUEZSA-N -1 0 539.813 5.965 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408898948 1070950717 /nfs/dbraw/zinc/95/07/17/1070950717.db2.gz NIQUNDZXOYKBDE-JLPGSUDCSA-N -1 0 549.967 5.673 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408898749 1070952596 /nfs/dbraw/zinc/95/25/96/1070952596.db2.gz MLFXMEXYXJHRLV-LPYMAVHISA-N -1 0 533.371 5.253 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408899005 1070951477 /nfs/dbraw/zinc/95/14/77/1070951477.db2.gz ROXJVWMXAFOYKE-ODLFYWEKSA-N -1 0 600.263 5.774 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408898815 1070952865 /nfs/dbraw/zinc/95/28/65/1070952865.db2.gz XUBCBKGDBWNWKG-UDWIEESQSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408898601 1070953514 /nfs/dbraw/zinc/95/35/14/1070953514.db2.gz XHTDALGIGSPYIK-UDWIEESQSA-N -1 0 597.393 5.019 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)c1 ZINC000408898463 1070955402 /nfs/dbraw/zinc/95/54/02/1070955402.db2.gz LOYWVFOYZCECKL-DEDYPNTBSA-N -1 0 584.264 6.074 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408898321 1070956836 /nfs/dbraw/zinc/95/68/36/1070956836.db2.gz KZDJMGJJFMZNGW-VEILYXNESA-N -1 0 599.083 7.316 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408898351 1070957579 /nfs/dbraw/zinc/95/75/79/1070957579.db2.gz LLUBAZUECFKHLI-USHMODERSA-N -1 0 550.611 6.273 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000408898403 1070957664 /nfs/dbraw/zinc/95/76/64/1070957664.db2.gz MBDVKGZDFUHYJS-JLPGSUDCSA-N -1 0 518.997 6.073 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408898371 1070957716 /nfs/dbraw/zinc/95/77/16/1070957716.db2.gz LTTXFAFJJFCZGR-GRSHGNNSSA-N -1 0 681.708 6.270 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408898099 1070961485 /nfs/dbraw/zinc/96/14/85/1070961485.db2.gz UNMHWWIJJCDSKY-BOPFTXTBSA-N -1 0 620.802 5.728 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)cc1 ZINC000408897882 1070962146 /nfs/dbraw/zinc/96/21/46/1070962146.db2.gz JKTSGEXVCAIWAO-JCMHNJIXSA-N -1 0 628.317 6.636 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)ccc1Br ZINC000408897934 1070962908 /nfs/dbraw/zinc/96/29/08/1070962908.db2.gz JQAJCDVGSGCPFQ-IWIPYMOSSA-N -1 0 620.297 6.919 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408897998 1070963837 /nfs/dbraw/zinc/96/38/37/1070963837.db2.gz KFLVMRDDALRRPS-MOSHPQCFSA-N -1 0 545.430 5.480 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCCC)c(OC)c3)C2=O)cc1 ZINC000408897427 1070965795 /nfs/dbraw/zinc/96/57/95/1070965795.db2.gz JFUFHHAACVNPSU-UYRXBGFRSA-N -1 0 531.403 5.092 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408897343 1070968439 /nfs/dbraw/zinc/96/84/39/1070968439.db2.gz IYGFNTUEARIBPM-YDZHTSKRSA-N -1 0 562.022 5.348 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408897389 1070969097 /nfs/dbraw/zinc/96/90/97/1070969097.db2.gz JDXQYJXOTXNNCP-XYGWBWBKSA-N -1 0 563.448 6.100 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408908848 1070981404 /nfs/dbraw/zinc/98/14/04/1070981404.db2.gz DLYWHNVYAKJHOO-RGVLZGJSSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408916899 1070996123 /nfs/dbraw/zinc/99/61/23/1070996123.db2.gz IEHGCNGBMCJOTG-PDGQHHTCSA-N -1 0 501.366 5.543 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408916674 1070999640 /nfs/dbraw/zinc/99/96/40/1070999640.db2.gz FYCJVNLAMUDKBF-IUXPMGMMSA-N -1 0 657.288 6.156 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Br)cc1 ZINC000408914952 1071009787 /nfs/dbraw/zinc/00/97/87/1071009787.db2.gz SFUJIBORYKCYQO-LICLKQGHSA-N -1 0 576.266 6.239 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408914611 1071012390 /nfs/dbraw/zinc/01/23/90/1071012390.db2.gz RFLLBMYTBBKUBA-CNHKJKLMSA-N -1 0 594.220 6.149 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)cc2Br)cc1 ZINC000408912379 1071023977 /nfs/dbraw/zinc/02/39/77/1071023977.db2.gz FMDOLVFQLYWFGT-WOJGMQOQSA-N -1 0 527.465 5.950 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(C)cc4)o3)C2=O)cc1 ZINC000408911727 1071060784 /nfs/dbraw/zinc/06/07/84/1071060784.db2.gz CSMAJVSYERUJMG-WOJGMQOQSA-N -1 0 513.369 5.177 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408936877 1071205271 /nfs/dbraw/zinc/20/52/71/1071205271.db2.gz LFFYYOHPGYSSJE-DHRITJCHSA-N -1 0 701.968 6.977 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000408936512 1071211608 /nfs/dbraw/zinc/21/16/08/1071211608.db2.gz KRGGOHVVGZKOBP-USHMODERSA-N -1 0 504.542 5.511 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000408935971 1071216065 /nfs/dbraw/zinc/21/60/65/1071216065.db2.gz JCOFKKAFRSUFJH-WQRHYEAKSA-N -1 0 501.753 5.892 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408935695 1071219149 /nfs/dbraw/zinc/21/91/49/1071219149.db2.gz DLDVNKQOTOBRCM-UDWIEESQSA-N -1 0 512.305 5.147 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408935560 1071221068 /nfs/dbraw/zinc/22/10/68/1071221068.db2.gz HWANHCNTCROIHL-NLRVBDNBSA-N -1 0 603.052 5.662 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408935088 1071229111 /nfs/dbraw/zinc/22/91/11/1071229111.db2.gz GMRYGGFAIKKTKK-DHRITJCHSA-N -1 0 730.826 8.632 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000408934240 1071235657 /nfs/dbraw/zinc/23/56/57/1071235657.db2.gz DFAUVJVFYLUGPN-FMFFXOCNSA-N -1 0 617.101 7.934 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408934424 1071234350 /nfs/dbraw/zinc/23/43/50/1071234350.db2.gz AOPLGQCXSMTVGV-YBFXNURJSA-N -1 0 539.903 5.031 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408933904 1071239010 /nfs/dbraw/zinc/23/90/10/1071239010.db2.gz CCHPIEVOFYMMRV-CVKSISIWSA-N -1 0 671.942 6.968 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408933630 1071241323 /nfs/dbraw/zinc/24/13/23/1071241323.db2.gz BDDBGDVWVWLXMQ-QRQIAZFYSA-N -1 0 583.984 6.073 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)c2)cc1 ZINC000408933551 1071240638 /nfs/dbraw/zinc/24/06/38/1071240638.db2.gz ASJKAQLPWQHBJB-YUMHPJSZSA-N -1 0 637.497 6.315 40 10 KKCBRM COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408933805 1071237532 /nfs/dbraw/zinc/23/75/32/1071237532.db2.gz BLEDYBISMGJPFJ-CIAFOILYSA-N -1 0 525.344 5.025 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408947265 1071263146 /nfs/dbraw/zinc/26/31/46/1071263146.db2.gz BMYQXPNDCROZQP-OCSSWDANSA-N -1 0 589.692 6.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408946815 1071264956 /nfs/dbraw/zinc/26/49/56/1071264956.db2.gz BDMDWMNPIQAIME-KVSWJAHQSA-N -1 0 771.479 8.710 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408946589 1071269218 /nfs/dbraw/zinc/26/92/18/1071269218.db2.gz AQOKPHDKKCPSJX-OKCVXOCRSA-N -1 0 702.589 7.403 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408946440 1071270413 /nfs/dbraw/zinc/27/04/13/1071270413.db2.gz ADYGIIWBJIPBGR-SSDVNMTOSA-N -1 0 601.409 5.585 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408942309 1071300309 /nfs/dbraw/zinc/30/03/09/1071300309.db2.gz ZAGGGLXVLIVEET-JMIUGGIZSA-N -1 0 501.753 5.892 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408942301 1071300360 /nfs/dbraw/zinc/30/03/60/1071300360.db2.gz YYNOIEHONCSNSL-AFUMVMLFSA-N -1 0 712.899 6.917 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1O ZINC000408941588 1071307367 /nfs/dbraw/zinc/30/73/67/1071307367.db2.gz XGFPXZIRFSTVIW-RGVLZGJSSA-N -1 0 618.811 5.294 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408941474 1071308872 /nfs/dbraw/zinc/30/88/72/1071308872.db2.gz WQPOSGWHJPVHLU-WGOQTCKBSA-N -1 0 607.877 7.471 40 10 KKCBRM Cc1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)c2)cc1 ZINC000408940943 1071312115 /nfs/dbraw/zinc/31/21/15/1071312115.db2.gz VSYZZIGPWGSCDU-NTFVMDSBSA-N -1 0 587.459 7.126 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408940782 1071315350 /nfs/dbraw/zinc/31/53/50/1071315350.db2.gz VCWNGJKEQLDEIA-CVKSISIWSA-N -1 0 651.930 7.870 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408939529 1071322969 /nfs/dbraw/zinc/32/29/69/1071322969.db2.gz SUOYFOMDEIOTAH-BKUYFWCQSA-N -1 0 556.210 5.457 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408938316 1071331694 /nfs/dbraw/zinc/33/16/94/1071331694.db2.gz QARMTNGDUXVQRI-WPWMEQJKSA-N -1 0 633.078 5.670 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1O ZINC000408938368 1071332170 /nfs/dbraw/zinc/33/21/70/1071332170.db2.gz QFJHIWAMQNBDOO-RGVLZGJSSA-N -1 0 527.360 5.343 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2)c1 ZINC000408937284 1071341053 /nfs/dbraw/zinc/34/10/53/1071341053.db2.gz NUQMAGIOXSUNET-MUFRIFMGSA-N -1 0 601.486 7.435 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408937350 1071341571 /nfs/dbraw/zinc/34/15/71/1071341571.db2.gz IYOOZMCQOZMMNX-ZVHZXABRSA-N -1 0 616.424 6.155 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000408952665 1071344040 /nfs/dbraw/zinc/34/40/40/1071344040.db2.gz ORSXAVWBIZVHDH-OKCVXOCRSA-N -1 0 593.655 5.977 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408951043 1071352163 /nfs/dbraw/zinc/35/21/63/1071352163.db2.gz KTRLJZUFEFMSPN-ULILXGBTSA-N -1 0 577.121 7.050 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408951089 1071352223 /nfs/dbraw/zinc/35/22/23/1071352223.db2.gz KZCUXXVZUAAPHC-XODNFHPESA-N -1 0 563.654 5.957 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000408951135 1071352772 /nfs/dbraw/zinc/35/27/72/1071352772.db2.gz LPICCBFPYDWGDX-KKMKTNMSSA-N -1 0 708.422 8.064 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408951112 1071353030 /nfs/dbraw/zinc/35/30/30/1071353030.db2.gz LIHCDJICWLYVAU-CCVNUDIWSA-N -1 0 720.579 7.542 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408950998 1071354325 /nfs/dbraw/zinc/35/43/25/1071354325.db2.gz KPUXDZDGOFBCQW-XZYGTATASA-N -1 0 605.738 7.977 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1 ZINC000408951699 1071350037 /nfs/dbraw/zinc/35/00/37/1071350037.db2.gz MIYIKYUNAXMYOT-MUFRIFMGSA-N -1 0 658.536 7.004 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408950411 1071356899 /nfs/dbraw/zinc/35/68/99/1071356899.db2.gz JWXZDBDHBOERMU-KEBDBYFISA-N -1 0 579.403 5.130 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408950405 1071356976 /nfs/dbraw/zinc/35/69/76/1071356976.db2.gz JWGLBDCWSUGCJN-OKCVXOCRSA-N -1 0 576.693 6.717 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408949359 1071361218 /nfs/dbraw/zinc/36/12/18/1071361218.db2.gz HTPSQCFZEJIYGL-IBBHUPRXSA-N -1 0 834.492 8.762 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408948980 1071362150 /nfs/dbraw/zinc/36/21/50/1071362150.db2.gz HQYQPRQGQAGHJV-IPPBACCNSA-N -1 0 700.586 7.469 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408948941 1071363563 /nfs/dbraw/zinc/36/35/63/1071363563.db2.gz HLGODZXLFHVWAP-OJYCWLPVSA-N -1 0 595.743 7.895 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 ZINC000408948764 1071364055 /nfs/dbraw/zinc/36/40/55/1071364055.db2.gz GLRWWAMDHHQIBC-CAOOACKPSA-N -1 0 555.768 5.077 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000408947879 1071368451 /nfs/dbraw/zinc/36/84/51/1071368451.db2.gz DJALUVYRJYCQIR-KKMKTNMSSA-N -1 0 727.426 8.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408947689 1071369278 /nfs/dbraw/zinc/36/92/78/1071369278.db2.gz CUOZBJZUAJXTBZ-DHRITJCHSA-N -1 0 572.017 6.642 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408956930 1071374675 /nfs/dbraw/zinc/37/46/75/1071374675.db2.gz ZHGYMMSHXVLJIP-VTNSRFBWSA-N -1 0 604.150 7.786 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O ZINC000408956914 1071374770 /nfs/dbraw/zinc/37/47/70/1071374770.db2.gz ZFXSCMJONABXCX-ZVBGSRNCSA-N -1 0 602.856 5.784 40 10 KKCBRM CCOC(=O)COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408956778 1071375692 /nfs/dbraw/zinc/37/56/92/1071375692.db2.gz YKHNLHIOGLIRRY-BHGWPJFGSA-N -1 0 684.527 5.376 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408956098 1071380696 /nfs/dbraw/zinc/38/06/96/1071380696.db2.gz WATSNQVGXNOAGW-WKULSOCRSA-N -1 0 645.981 7.816 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408955862 1071381254 /nfs/dbraw/zinc/38/12/54/1071381254.db2.gz UXQKYOMHQOYAIO-MUFRIFMGSA-N -1 0 577.637 6.308 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000408694220 1071388546 /nfs/dbraw/zinc/38/85/46/1071388546.db2.gz GFMAUWLBQLYTKB-XDHOZWIPSA-N -1 0 595.231 5.037 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408955185 1071387033 /nfs/dbraw/zinc/38/70/33/1071387033.db2.gz TWEMDSKMTDNUQM-MXAYSNPKSA-N -1 0 561.465 7.388 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408694629 1071387915 /nfs/dbraw/zinc/38/79/15/1071387915.db2.gz KZUXILIMTOFZGN-YBFXNURJSA-N -1 0 592.284 5.594 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408694472 1071388004 /nfs/dbraw/zinc/38/80/04/1071388004.db2.gz IDIZYURWFRCNHG-OEAKJJBVSA-N -1 0 563.448 5.984 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000408953951 1071393089 /nfs/dbraw/zinc/39/30/89/1071393089.db2.gz QQLRRRSFJLRYQU-ZSNJKBEMSA-N -1 0 625.769 7.807 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408692480 1071393885 /nfs/dbraw/zinc/39/38/85/1071393885.db2.gz NHORZGWRKSUDIN-YBFXNURJSA-N -1 0 547.833 5.485 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408954794 1071389152 /nfs/dbraw/zinc/38/91/52/1071389152.db2.gz SMPSIZCSBHOOPO-REZTVBANSA-N -1 0 634.664 5.839 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000408692439 1071395366 /nfs/dbraw/zinc/39/53/66/1071395366.db2.gz MKTBJFAPGRGCJP-HYARGMPZSA-N -1 0 566.395 5.428 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c(OCC)c1 ZINC000408967120 1071402486 /nfs/dbraw/zinc/40/24/86/1071402486.db2.gz PIEJGBYRTITXSZ-KOEQRZSOSA-N -1 0 529.637 5.855 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c1 ZINC000408967002 1071407127 /nfs/dbraw/zinc/40/71/27/1071407127.db2.gz OQRJRBXBOSDGMD-UDWIEESQSA-N -1 0 542.444 5.409 40 10 KKCBRM Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000408969878 1071457562 /nfs/dbraw/zinc/45/75/62/1071457562.db2.gz WDRFWKVGIBJIAI-HAHDFKILSA-N -1 0 536.587 5.465 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408967827 1071464340 /nfs/dbraw/zinc/46/43/40/1071464340.db2.gz VCQJPUIKGFUYGJ-ZDLGFXPLSA-N -1 0 593.849 5.631 40 10 KKCBRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000408714539 1071475200 /nfs/dbraw/zinc/47/52/00/1071475200.db2.gz BBNYSNLMZSDFLY-UHFFFAOYSA-N -1 0 529.083 5.720 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408986386 1071490305 /nfs/dbraw/zinc/49/03/05/1071490305.db2.gz BZOXLFYJGOFSQM-HMAPJEAMSA-N -1 0 550.365 5.165 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000408985940 1071494724 /nfs/dbraw/zinc/49/47/24/1071494724.db2.gz YVNHBJQXXGMBNE-LSCVHKIXSA-N -1 0 743.679 6.011 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000408985328 1071500633 /nfs/dbraw/zinc/50/06/33/1071500633.db2.gz WMVLVONGHPHCEJ-OCKHKDLRSA-N -1 0 529.807 6.509 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408985304 1071502451 /nfs/dbraw/zinc/50/24/51/1071502451.db2.gz KHAIEQWYWQAIFY-GRSHGNNSSA-N -1 0 570.783 5.565 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408984526 1071508894 /nfs/dbraw/zinc/50/88/94/1071508894.db2.gz RSVOYMXMZDYIBD-LSCVHKIXSA-N -1 0 533.770 6.340 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1Cl ZINC000408984434 1071510004 /nfs/dbraw/zinc/51/00/04/1071510004.db2.gz QXYZYIMEPCBZCV-FMQZQXMHSA-N -1 0 720.572 7.568 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408984412 1071510037 /nfs/dbraw/zinc/51/00/37/1071510037.db2.gz QSDBGAUEBFHFAV-JAIQZWGSSA-N -1 0 511.361 5.556 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(C)c4)c(I)c3)C2=O)cc1 ZINC000408984437 1071510111 /nfs/dbraw/zinc/51/01/11/1071510111.db2.gz RAIWHEIAISDUQA-MTJSOVHGSA-N -1 0 692.291 6.012 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408983891 1071513277 /nfs/dbraw/zinc/51/32/77/1071513277.db2.gz NZQJXBBLNKNQLB-NHDPSOOVSA-N -1 0 630.866 6.206 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc5ccccc5c4)cc3Br)C2=O)cc1 ZINC000408983902 1071513357 /nfs/dbraw/zinc/51/33/57/1071513357.db2.gz ODDNUJFWVTWHFA-MYYYXRDXSA-N -1 0 585.454 6.419 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)C2=O)cc1Cl ZINC000408983328 1071518293 /nfs/dbraw/zinc/51/82/93/1071518293.db2.gz LJRLVXZWTADDJS-JJFYIABZSA-N -1 0 565.840 7.354 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(I)c3)C2=O)cc1 ZINC000408983138 1071518836 /nfs/dbraw/zinc/51/88/36/1071518836.db2.gz KVPFMRZYJNOOAS-ODLFYWEKSA-N -1 0 665.709 6.515 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408983348 1071518982 /nfs/dbraw/zinc/51/89/82/1071518982.db2.gz LNZBSYWCNWZERI-ONUIUJJFSA-N -1 0 506.558 5.656 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408983190 1071519737 /nfs/dbraw/zinc/51/97/37/1071519737.db2.gz FYYQFRBZLFOYMZ-STZFKDTASA-N -1 0 505.368 5.257 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408983014 1071521033 /nfs/dbraw/zinc/52/10/33/1071521033.db2.gz JREUIGBPAVNOGS-JMIUGGIZSA-N -1 0 695.735 6.660 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1 ZINC000408983111 1071521800 /nfs/dbraw/zinc/52/18/00/1071521800.db2.gz KPRAAAHHNYUSMN-XYGWBWBKSA-N -1 0 602.428 6.252 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408982473 1071525850 /nfs/dbraw/zinc/52/58/50/1071525850.db2.gz HERDEXOHMFYBNS-MTJSOVHGSA-N -1 0 553.384 5.405 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408981899 1071530890 /nfs/dbraw/zinc/53/08/90/1071530890.db2.gz DMZKXRYXDMIPOM-NDENLUEZSA-N -1 0 539.813 5.910 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(I)c3)C2=O)cc1Cl ZINC000408982521 1071526814 /nfs/dbraw/zinc/52/68/14/1071526814.db2.gz HMGUUEMFSVCTNO-ZDLGFXPLSA-N -1 0 590.776 5.638 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000408982306 1071527194 /nfs/dbraw/zinc/52/71/94/1071527194.db2.gz GKSAUGSZJBKMFE-JAIQZWGSSA-N -1 0 540.359 5.709 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408723650 1071527614 /nfs/dbraw/zinc/52/76/14/1071527614.db2.gz YWRMDSRMUWFHNE-GIJQJNRQSA-N -1 0 606.723 6.275 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)cc1 ZINC000408982106 1071527862 /nfs/dbraw/zinc/52/78/62/1071527862.db2.gz FTWXXGYXXUDNIR-OCKHKDLRSA-N -1 0 583.822 5.639 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408981924 1071531414 /nfs/dbraw/zinc/53/14/14/1071531414.db2.gz DWJBWYNPFRSAFB-JMIUGGIZSA-N -1 0 512.791 5.485 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408981891 1071530619 /nfs/dbraw/zinc/53/06/19/1071530619.db2.gz DLMGFVXIJDDAHP-XKZIYDEJSA-N -1 0 594.418 5.564 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408981922 1071531773 /nfs/dbraw/zinc/53/17/73/1071531773.db2.gz DTUILKLXSMFEGN-XKZIYDEJSA-N -1 0 594.418 5.564 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)cc1 ZINC000408981533 1071532484 /nfs/dbraw/zinc/53/24/84/1071532484.db2.gz BPMOXNOKLQXBQF-NDENLUEZSA-N -1 0 510.363 5.225 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408722420 1071533393 /nfs/dbraw/zinc/53/33/93/1071533393.db2.gz IQFYNWKYDVFHQI-YBFXNURJSA-N -1 0 606.325 6.565 40 10 KKCBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000408722503 1071534035 /nfs/dbraw/zinc/53/40/35/1071534035.db2.gz JSANSMOEOUGFPH-NTUHNPAUSA-N -1 0 544.254 5.385 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408981269 1071535556 /nfs/dbraw/zinc/53/55/56/1071535556.db2.gz AJXJTCJJBKGJCB-GIJQJNRQSA-N -1 0 502.785 6.029 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000408994645 1071557925 /nfs/dbraw/zinc/55/79/25/1071557925.db2.gz GXUBAYAQQQPUQT-CTVOUCONSA-N -1 0 550.702 5.825 40 10 KKCBRM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993845 1071562789 /nfs/dbraw/zinc/56/27/89/1071562789.db2.gz XFQPYCOIPQQBCX-YZYHJUNBSA-N -1 0 669.766 5.867 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408993365 1071565451 /nfs/dbraw/zinc/56/54/51/1071565451.db2.gz WGRFGUVRVHEKQU-HMAPJEAMSA-N -1 0 523.358 5.396 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408992975 1071568202 /nfs/dbraw/zinc/56/82/02/1071568202.db2.gz UHVBFHIRIOQBQE-FGKIGFKSSA-N -1 0 683.793 6.175 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408992982 1071568981 /nfs/dbraw/zinc/56/89/81/1071568981.db2.gz VIXSLDSLQBAXSI-JAIQZWGSSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408992887 1071570086 /nfs/dbraw/zinc/57/00/86/1071570086.db2.gz UBHVDGFTPNXBML-LICLKQGHSA-N -1 0 591.652 5.712 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408992288 1071574125 /nfs/dbraw/zinc/57/41/25/1071574125.db2.gz RGKNWMSXHPYHGZ-HYARGMPZSA-N -1 0 686.196 7.401 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408991584 1071581040 /nfs/dbraw/zinc/58/10/40/1071581040.db2.gz OKAXHYQYJXMYDV-KDYRRFBVSA-N -1 0 681.752 6.319 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408991845 1071578079 /nfs/dbraw/zinc/57/80/79/1071578079.db2.gz RFURRKYXCFMUTG-WQRHYEAKSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000408991227 1071583059 /nfs/dbraw/zinc/58/30/59/1071583059.db2.gz ZKKIEHYOYMHVLY-OCKHKDLRSA-N -1 0 618.709 6.727 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408990610 1071587751 /nfs/dbraw/zinc/58/77/51/1071587751.db2.gz XPLZGLRXAVMTLH-MOSHPQCFSA-N -1 0 523.358 5.396 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408990193 1071591129 /nfs/dbraw/zinc/59/11/29/1071591129.db2.gz NFLCXLSRHXHZBL-ZVHZXABRSA-N -1 0 514.647 5.648 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408989862 1071593439 /nfs/dbraw/zinc/59/34/39/1071593439.db2.gz VHWBOLINSMERHZ-BKUYFWCQSA-N -1 0 539.813 5.910 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)o3)C(=O)[N-]C2=S)cc1Cl ZINC000408989359 1071597825 /nfs/dbraw/zinc/59/78/25/1071597825.db2.gz HNRKLSVHZREQGY-QGOAFFKASA-N -1 0 506.008 5.772 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408989801 1071595332 /nfs/dbraw/zinc/59/53/32/1071595332.db2.gz MEDMHWXXAMFYMN-JAIQZWGSSA-N -1 0 570.783 5.565 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408989351 1071598018 /nfs/dbraw/zinc/59/80/18/1071598018.db2.gz HMESMCMNOQIFHA-XSFVSMFZSA-N -1 0 526.599 5.434 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408739408 1071603815 /nfs/dbraw/zinc/60/38/15/1071603815.db2.gz BOPHKOGSUFCOJX-ZVHZXABRSA-N -1 0 634.426 5.707 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408988104 1071606771 /nfs/dbraw/zinc/60/67/71/1071606771.db2.gz CNTPEVJONPFKEC-YITPPGKRSA-N -1 0 718.238 6.828 40 10 KKCBRM O=C1C(=Cc2cc(Br)c([O-])c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408738142 1071610471 /nfs/dbraw/zinc/61/04/71/1071610471.db2.gz QJWUOEQOHVLHQS-UHFFFAOYSA-N -1 0 605.251 5.508 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408996876 1071615844 /nfs/dbraw/zinc/61/58/44/1071615844.db2.gz KHGPSIZWWUERAY-JLPGSUDCSA-N -1 0 557.027 6.663 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408744047 1071616786 /nfs/dbraw/zinc/61/67/86/1071616786.db2.gz YJSLWGOZGAWJFR-ZDLGFXPLSA-N -1 0 563.304 6.303 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408995697 1071621535 /nfs/dbraw/zinc/62/15/35/1071621535.db2.gz KRRPKZDABLQDAW-LICLKQGHSA-N -1 0 699.248 7.554 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408743840 1071617232 /nfs/dbraw/zinc/61/72/32/1071617232.db2.gz VQTABSFTQKAPSD-HAHDFKILSA-N -1 0 607.475 7.127 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408742927 1071620055 /nfs/dbraw/zinc/62/00/55/1071620055.db2.gz QPMCDNUCYPWIQY-MIXAMLLLSA-N -1 0 580.666 6.943 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(CC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408742907 1071620167 /nfs/dbraw/zinc/62/01/67/1071620167.db2.gz QNIQUMYXNXPLAX-SJIPCVTESA-N -1 0 581.672 7.439 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408742542 1071620641 /nfs/dbraw/zinc/62/06/41/1071620641.db2.gz RNBCPFYVIFFCFH-DJKKODMXSA-N -1 0 653.325 6.325 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408742495 1071621195 /nfs/dbraw/zinc/62/11/95/1071621195.db2.gz RHOQZAKRVIWRCE-NVMNQCDNSA-N -1 0 549.277 5.995 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741175 1071627225 /nfs/dbraw/zinc/62/72/25/1071627225.db2.gz HGDUMAVOSCLUKU-QRQIAZFYSA-N -1 0 566.639 6.437 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408742047 1071622820 /nfs/dbraw/zinc/62/28/20/1071622820.db2.gz OYOIVWMPQYRQQB-YBFXNURJSA-N -1 0 572.278 5.622 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408741698 1071623865 /nfs/dbraw/zinc/62/38/65/1071623865.db2.gz RPUQBHMJVNOJFF-VFCFBJKWSA-N -1 0 604.529 7.405 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741043 1071627881 /nfs/dbraw/zinc/62/78/81/1071627881.db2.gz JOYPJPMJQDPTKP-LPYMAVHISA-N -1 0 522.468 5.613 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408757118 1071632623 /nfs/dbraw/zinc/63/26/23/1071632623.db2.gz ZZFRTXOXUVFWJL-CAOOACKPSA-N -1 0 716.153 6.923 40 10 KKCBRM Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000408756987 1071634310 /nfs/dbraw/zinc/63/43/10/1071634310.db2.gz LATRKWSKELILQN-VUTHCHCSSA-N -1 0 505.666 6.675 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408756886 1071635318 /nfs/dbraw/zinc/63/53/18/1071635318.db2.gz YADLBPRBDHPLRJ-UDWIEESQSA-N -1 0 539.357 5.151 40 10 KKCBRM O=C(N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409003550 1071636653 /nfs/dbraw/zinc/63/66/53/1071636653.db2.gz SPIOEHRHYOKXRB-ZZYOEZNTSA-N -1 0 746.343 7.493 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408756577 1071637110 /nfs/dbraw/zinc/63/71/10/1071637110.db2.gz WIANALFDXOHANV-ZVHZXABRSA-N -1 0 664.350 7.317 40 10 KKCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2cc(C)c(C)cc2Br)C1=O ZINC000408756679 1071637747 /nfs/dbraw/zinc/63/77/47/1071637747.db2.gz IWRGUCXAMBHDSB-MTJSOVHGSA-N -1 0 521.415 5.152 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408756422 1071638281 /nfs/dbraw/zinc/63/82/81/1071638281.db2.gz VBHWTBSHGXXAQE-UHFFFAOYSA-N -1 0 564.619 5.721 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409001233 1071645603 /nfs/dbraw/zinc/64/56/03/1071645603.db2.gz VRFVVSQQJNQACC-LZYBPNLTSA-N -1 0 673.116 6.912 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408755613 1071643766 /nfs/dbraw/zinc/64/37/66/1071643766.db2.gz RBIOFBSHXKPXDS-VXLYETTFSA-N -1 0 618.253 5.913 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408755454 1071644819 /nfs/dbraw/zinc/64/48/19/1071644819.db2.gz UZSPXTIMVJFERL-ODLFYWEKSA-N -1 0 666.369 5.128 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408755465 1071644843 /nfs/dbraw/zinc/64/48/43/1071644843.db2.gz NVJLENJVYWACLN-CIAFOILYSA-N -1 0 628.317 6.473 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000409001250 1071645859 /nfs/dbraw/zinc/64/58/59/1071645859.db2.gz OPBGQCMRMMRKJX-UHFFFAOYSA-N -1 0 528.973 6.047 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000409000240 1071650533 /nfs/dbraw/zinc/65/05/33/1071650533.db2.gz NCIWKMVMHNXAMI-CIAFOILYSA-N -1 0 504.373 5.971 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(I)c3)C2=O)ccc1Br ZINC000408753973 1071653936 /nfs/dbraw/zinc/65/39/36/1071653936.db2.gz OWOAGDBBWGMWPF-GIJQJNRQSA-N -1 0 714.123 6.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408753625 1071655735 /nfs/dbraw/zinc/65/57/35/1071655735.db2.gz BDAHWVDNHDHKBU-ZVHZXABRSA-N -1 0 664.350 7.317 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408752832 1071662568 /nfs/dbraw/zinc/66/25/68/1071662568.db2.gz CPXLABJCKYMJRB-HZHRSRAPSA-N -1 0 534.454 6.129 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)ccc1Br ZINC000408753074 1071660393 /nfs/dbraw/zinc/66/03/93/1071660393.db2.gz LGMKWPQYELOKBZ-WSDLNYQXSA-N -1 0 793.193 7.365 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408997621 1071662777 /nfs/dbraw/zinc/66/27/77/1071662777.db2.gz NOIDARLOFHZNGF-LDADJPATSA-N -1 0 513.438 5.587 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C2=O)ccc1Br ZINC000408752788 1071661963 /nfs/dbraw/zinc/66/19/63/1071661963.db2.gz CFMXHZNJSIPRCE-WSDLNYQXSA-N -1 0 793.193 7.365 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)ccc1Br ZINC000408751929 1071667871 /nfs/dbraw/zinc/66/78/71/1071667871.db2.gz AMULUSGGKQAIOW-FRKPEAEDSA-N -1 0 765.023 7.677 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(I)c3)C2=O)ccc1Br ZINC000408761091 1071694127 /nfs/dbraw/zinc/69/41/27/1071694127.db2.gz HQIWXHDCGUTNME-RQZCQDPDSA-N -1 0 714.123 6.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408760263 1071697966 /nfs/dbraw/zinc/69/79/66/1071697966.db2.gz VOSREYAIGWMRCV-ZVHZXABRSA-N -1 0 619.899 7.208 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(I)c3)C2=O)ccc1Br ZINC000408760859 1071695145 /nfs/dbraw/zinc/69/51/45/1071695145.db2.gz AJPDYCVBYGJYMN-WOJGMQOQSA-N -1 0 635.227 5.747 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408760869 1071695204 /nfs/dbraw/zinc/69/52/04/1071695204.db2.gz GOSLUGBEVDPBCL-WGOQTCKBSA-N -1 0 602.460 6.550 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408759109 1071703139 /nfs/dbraw/zinc/70/31/39/1071703139.db2.gz XXGDQMZEHNWJJL-ZDLGFXPLSA-N -1 0 547.236 6.138 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(I)c3)C2=O)ccc1Br ZINC000408759911 1071699111 /nfs/dbraw/zinc/69/91/11/1071699111.db2.gz NZAQWDCNNAZZOS-RQZCQDPDSA-N -1 0 761.123 6.351 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408758821 1071704012 /nfs/dbraw/zinc/70/40/12/1071704012.db2.gz RXTYNTXYEONYCV-OKCVXOCRSA-N -1 0 533.672 6.537 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408758581 1071704063 /nfs/dbraw/zinc/70/40/63/1071704063.db2.gz NBGOXXMSNLHVBM-VCHYOVAHSA-N -1 0 547.236 6.138 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)c1 ZINC000408759449 1071702039 /nfs/dbraw/zinc/70/20/39/1071702039.db2.gz FFMJMXHHCZRKNB-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408758544 1071705094 /nfs/dbraw/zinc/70/50/94/1071705094.db2.gz MDQJDSOZJFNNSQ-VXLYETTFSA-N -1 0 645.260 5.682 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1 ZINC000409026051 1071707264 /nfs/dbraw/zinc/70/72/64/1071707264.db2.gz DVWURYCUGUNZJV-UDWIEESQSA-N -1 0 614.246 5.244 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409024786 1071710776 /nfs/dbraw/zinc/71/07/76/1071710776.db2.gz NYXMGPQIAQBNMQ-BOPFTXTBSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408766595 1071720238 /nfs/dbraw/zinc/72/02/38/1071720238.db2.gz DFZQEPXOMZRABB-GIJQJNRQSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408766601 1071720282 /nfs/dbraw/zinc/72/02/82/1071720282.db2.gz VWIGEDVHKVTCPL-VULFUBBASA-N -1 0 653.360 7.717 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409020404 1071726589 /nfs/dbraw/zinc/72/65/89/1071726589.db2.gz OWSOJEKHHMBJST-OGLMXYFKSA-N -1 0 515.638 6.291 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000409019950 1071727949 /nfs/dbraw/zinc/72/79/49/1071727949.db2.gz LAXJSGBJWCBCCZ-RKPNYOAGSA-N -1 0 507.837 5.420 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408763890 1071730573 /nfs/dbraw/zinc/73/05/73/1071730573.db2.gz LCMGSODXMUOIPR-HYARGMPZSA-N -1 0 550.409 5.008 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408762031 1071737649 /nfs/dbraw/zinc/73/76/49/1071737649.db2.gz CAUKZYXHCOOAOR-UDWIEESQSA-N -1 0 647.263 5.616 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408762549 1071735068 /nfs/dbraw/zinc/73/50/68/1071735068.db2.gz PDOWTTBEPVIQJI-FYJGNVAPSA-N -1 0 508.441 5.305 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(F)c3)C2=O)ccc1Br ZINC000408761470 1071739940 /nfs/dbraw/zinc/73/99/40/1071739940.db2.gz FTJWDAFFNIBFDF-DEDYPNTBSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2I)cc1 ZINC000408761327 1071740814 /nfs/dbraw/zinc/74/08/14/1071740814.db2.gz INUKHIZISQTRBX-UDWIEESQSA-N -1 0 631.264 5.916 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408777127 1071745123 /nfs/dbraw/zinc/74/51/23/1071745123.db2.gz VPMBMOIZDLAAIQ-PCLIKHOPSA-N -1 0 501.652 5.622 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408777215 1071746056 /nfs/dbraw/zinc/74/60/56/1071746056.db2.gz WXCAJMFCDLVBEB-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)c1 ZINC000408777217 1071746176 /nfs/dbraw/zinc/74/61/76/1071746176.db2.gz WXRCDVQCQHIWOV-VXLYETTFSA-N -1 0 698.682 6.103 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1 ZINC000408775898 1071752954 /nfs/dbraw/zinc/75/29/54/1071752954.db2.gz WFJQKZQVDIVYCU-QGMBQPNBSA-N -1 0 686.127 6.914 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(I)cc4)c(I)c3)C2=O)c1 ZINC000408775944 1071752975 /nfs/dbraw/zinc/75/29/75/1071752975.db2.gz KPUGZXUCRIEJRA-KEBDBYFISA-N -1 0 804.160 6.363 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)C2=O)cc1 ZINC000408776623 1071749000 /nfs/dbraw/zinc/74/90/00/1071749000.db2.gz XOLNYDAAURTYLW-VXLYETTFSA-N -1 0 607.231 6.152 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)c1 ZINC000408776455 1071750064 /nfs/dbraw/zinc/75/00/64/1071750064.db2.gz OIIRZAFTBDNHLY-LPYMAVHISA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000408775684 1071753571 /nfs/dbraw/zinc/75/35/71/1071753571.db2.gz IYIRVBWQSFQANO-PCLIKHOPSA-N -1 0 562.116 6.317 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408775776 1071754051 /nfs/dbraw/zinc/75/40/51/1071754051.db2.gz UVSJOHYARVSKBD-UDWIEESQSA-N -1 0 572.786 5.498 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408774486 1071761798 /nfs/dbraw/zinc/76/17/98/1071761798.db2.gz LQLDUVRCJPTLAH-UDWIEESQSA-N -1 0 556.756 5.256 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408774244 1071762244 /nfs/dbraw/zinc/76/22/44/1071762244.db2.gz CGSKLGZEXSDYGL-FYJGNVAPSA-N -1 0 555.441 5.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408774929 1071758959 /nfs/dbraw/zinc/75/89/59/1071758959.db2.gz DNEARCZXECGNGN-RGVLZGJSSA-N -1 0 573.802 5.886 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408774746 1071759564 /nfs/dbraw/zinc/75/95/64/1071759564.db2.gz XTUXDYXAXQSRLV-GIJQJNRQSA-N -1 0 670.809 6.526 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2Br)cc1 ZINC000408774168 1071763541 /nfs/dbraw/zinc/76/35/41/1071763541.db2.gz ANQVBGCYUUVTAZ-RGVLZGJSSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408773661 1071765689 /nfs/dbraw/zinc/76/56/89/1071765689.db2.gz SSFJYSONWOHSIF-NTUHNPAUSA-N -1 0 561.738 5.585 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)c1 ZINC000408773886 1071765846 /nfs/dbraw/zinc/76/58/46/1071765846.db2.gz JVXDNITXTXMEMN-QGMBQPNBSA-N -1 0 700.154 7.223 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408773246 1071768734 /nfs/dbraw/zinc/76/87/34/1071768734.db2.gz ULNDSMPIAJSMNS-VXLYETTFSA-N -1 0 586.782 5.265 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408773062 1071769409 /nfs/dbraw/zinc/76/94/09/1071769409.db2.gz PNTHTRKAUWBSGF-FRKPEAEDSA-N -1 0 615.094 7.308 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Br)cc1 ZINC000408772607 1071771813 /nfs/dbraw/zinc/77/18/13/1071771813.db2.gz DKUCQAMMROGFIP-SRZZPIQSSA-N -1 0 553.840 6.273 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408772721 1071772347 /nfs/dbraw/zinc/77/23/47/1071772347.db2.gz QTCATOKWQLNVDC-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408772420 1071774567 /nfs/dbraw/zinc/77/45/67/1071774567.db2.gz LMYAYXOFMPZJMP-VXLYETTFSA-N -1 0 586.782 5.265 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408771817 1071778389 /nfs/dbraw/zinc/77/83/89/1071778389.db2.gz JHGFCAFVJZOMOR-WSDLNYQXSA-N -1 0 549.421 5.628 40 10 KKCBRM O=C(OC1=C([O-])N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279890 1071778363 /nfs/dbraw/zinc/77/83/63/1071778363.db2.gz ADHXSHQRULQVPF-NJYHHYNCSA-N -1 0 519.513 5.426 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)sc2=N1 ZINC000409031794 1071785073 /nfs/dbraw/zinc/78/50/73/1071785073.db2.gz BFPMIBQLSPPTNY-MIUGUJGPSA-N -1 0 678.605 5.455 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(I)c3)C2=O)c1 ZINC000408769097 1071794342 /nfs/dbraw/zinc/79/43/42/1071794342.db2.gz NSRBRNYXXYFUJN-VXLYETTFSA-N -1 0 665.709 6.569 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408768304 1071802092 /nfs/dbraw/zinc/80/20/92/1071802092.db2.gz VVHRBIVYMBJFKF-XODNFHPESA-N -1 0 563.654 5.957 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408768277 1071802305 /nfs/dbraw/zinc/80/23/05/1071802305.db2.gz DQXGQCUXEQVASU-YBFXNURJSA-N -1 0 573.802 5.886 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408768028 1071805080 /nfs/dbraw/zinc/80/50/80/1071805080.db2.gz BHESUVYRQUNLBN-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408782355 1071812743 /nfs/dbraw/zinc/81/27/43/1071812743.db2.gz HVDOSJZHXDOUJQ-FYJGNVAPSA-N -1 0 535.394 5.402 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Cl)c3)C2=O)cc1 ZINC000408782515 1071811073 /nfs/dbraw/zinc/81/10/73/1071811073.db2.gz JKZKIHMTJALARE-QGMBQPNBSA-N -1 0 525.344 5.276 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408782486 1071811201 /nfs/dbraw/zinc/81/12/01/1071811201.db2.gz HMCNAMVUUGVZAX-VXLYETTFSA-N -1 0 676.891 5.914 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408781737 1071815499 /nfs/dbraw/zinc/81/54/99/1071815499.db2.gz FNCWXMPZLSWCLC-DJKKODMXSA-N -1 0 636.749 6.284 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000408780959 1071820568 /nfs/dbraw/zinc/82/05/68/1071820568.db2.gz OOJFACUWCLMWGY-VCHYOVAHSA-N -1 0 670.809 6.608 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408781060 1071821195 /nfs/dbraw/zinc/82/11/95/1071821195.db2.gz QWIOPDIXXBHSJQ-KBVAKVRCSA-N -1 0 563.767 6.956 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408780840 1071821950 /nfs/dbraw/zinc/82/19/50/1071821950.db2.gz LXXNTPUZUCHHCF-RGVLZGJSSA-N -1 0 681.708 6.351 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408779713 1071828195 /nfs/dbraw/zinc/82/81/95/1071828195.db2.gz IRGNQPVYLREPBN-VCHYOVAHSA-N -1 0 533.209 5.830 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409045526 1071824906 /nfs/dbraw/zinc/82/49/06/1071824906.db2.gz YYJIMNRZINMOKY-FRKPEAEDSA-N -1 0 615.094 7.308 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409046376 1071832062 /nfs/dbraw/zinc/83/20/62/1071832062.db2.gz KHILWNQNASLEEJ-DJKKODMXSA-N -1 0 519.743 6.031 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)cc1 ZINC000408778694 1071835921 /nfs/dbraw/zinc/83/59/21/1071835921.db2.gz WUCBZZCZPURZMF-OGLMXYFKSA-N -1 0 600.469 6.111 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409046338 1071834617 /nfs/dbraw/zinc/83/46/17/1071834617.db2.gz KEWUXLHXBLLMIC-MFKUBSTISA-N -1 0 680.324 7.175 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408778869 1071835384 /nfs/dbraw/zinc/83/53/84/1071835384.db2.gz MSQRBEGURXALFG-UDWIEESQSA-N -1 0 557.242 5.594 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408777985 1071841431 /nfs/dbraw/zinc/84/14/31/1071841431.db2.gz NNTXLJJEJXKSGS-WKULSOCRSA-N -1 0 628.636 7.464 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1C ZINC000409045993 1071836491 /nfs/dbraw/zinc/83/64/91/1071836491.db2.gz HTBMGEGOCMWLHW-KEBDBYFISA-N -1 0 529.807 6.509 40 10 KKCBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409045794 1071837696 /nfs/dbraw/zinc/83/76/96/1071837696.db2.gz HQRWKNUOTJZMLQ-WUXMJOGZSA-N -1 0 563.029 5.584 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409045818 1071837788 /nfs/dbraw/zinc/83/77/88/1071837788.db2.gz IFGYIRHNDWDOPX-CXUHLZMHSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408778177 1071838333 /nfs/dbraw/zinc/83/83/33/1071838333.db2.gz QDJVJQPULVRNEJ-MHWRWJLKSA-N -1 0 531.830 5.726 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409045070 1071842514 /nfs/dbraw/zinc/84/25/14/1071842514.db2.gz YBLLCOVMEWVWHB-OQLLNIDSSA-N -1 0 587.062 5.429 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1Cl ZINC000409045156 1071843421 /nfs/dbraw/zinc/84/34/21/1071843421.db2.gz FLCOPACADKZMSJ-DJKKODMXSA-N -1 0 683.578 7.181 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409044823 1071846030 /nfs/dbraw/zinc/84/60/30/1071846030.db2.gz DLUJIEWCPFIUNV-YBFXNURJSA-N -1 0 638.265 5.093 40 10 KKCBRM CC(C)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409044208 1071851040 /nfs/dbraw/zinc/85/10/40/1071851040.db2.gz UHRJFNKROUIFSI-VIZOYTHASA-N -1 0 512.187 5.457 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 ZINC000408786031 1071852202 /nfs/dbraw/zinc/85/22/02/1071852202.db2.gz FIDHGEBAXJOKPA-PCLIKHOPSA-N -1 0 546.048 6.152 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000409044135 1071853009 /nfs/dbraw/zinc/85/30/09/1071853009.db2.gz AZFBCEDEXZZNEF-SSDVNMTOSA-N -1 0 654.742 7.572 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408786014 1071854327 /nfs/dbraw/zinc/85/43/27/1071854327.db2.gz DWSZFZVNOBQFJH-WSDLNYQXSA-N -1 0 567.411 5.849 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409043620 1071856954 /nfs/dbraw/zinc/85/69/54/1071856954.db2.gz SEHQQLMORILZSI-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409043584 1071857086 /nfs/dbraw/zinc/85/70/86/1071857086.db2.gz RSGWALBMKDZBHQ-RGVLZGJSSA-N -1 0 645.837 5.027 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409043105 1071863180 /nfs/dbraw/zinc/86/31/80/1071863180.db2.gz PUUDBWLSMRETJG-VXLYETTFSA-N -1 0 669.551 6.873 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409043055 1071863274 /nfs/dbraw/zinc/86/32/74/1071863274.db2.gz PKGNAAVTKNFAJJ-DJKKODMXSA-N -1 0 669.551 6.873 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)cc(C)c4)C3=O)c1C)CCCC2 ZINC000408784652 1071863296 /nfs/dbraw/zinc/86/32/96/1071863296.db2.gz VQFYUWZTTQMLGU-HYARGMPZSA-N -1 0 547.702 5.269 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408784818 1071861912 /nfs/dbraw/zinc/86/19/12/1071861912.db2.gz VNYXYJCMMHSSBT-YDZHTSKRSA-N -1 0 591.845 6.510 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000408784822 1071862018 /nfs/dbraw/zinc/86/20/18/1071862018.db2.gz VOCYYJJRHOMAOL-LFVJCYFKSA-N -1 0 532.090 6.227 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(I)c3)C2=O)c1 ZINC000408784525 1071864464 /nfs/dbraw/zinc/86/44/64/1071864464.db2.gz UDHCXIOBZSHQMC-MFKUBSTISA-N -1 0 602.428 6.307 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408784532 1071864561 /nfs/dbraw/zinc/86/45/61/1071864561.db2.gz UFIWWJOZQYYVMS-OEAKJJBVSA-N -1 0 536.440 6.407 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408784185 1071865310 /nfs/dbraw/zinc/86/53/10/1071865310.db2.gz UFBOXLRWDGQVRD-VXLYETTFSA-N -1 0 586.782 5.265 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408784200 1071866165 /nfs/dbraw/zinc/86/61/65/1071866165.db2.gz UMWWXYMDVBPVJB-FYJGNVAPSA-N -1 0 652.472 6.841 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c2c1 ZINC000408783327 1071870948 /nfs/dbraw/zinc/87/09/48/1071870948.db2.gz NHFAZZPZTKBVIL-KGENOOAVSA-N -1 0 523.383 5.375 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408783283 1071871106 /nfs/dbraw/zinc/87/11/06/1071871106.db2.gz MCSREGPQLRZAQU-WCMJOSRZSA-N -1 0 579.766 6.792 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)c1 ZINC000408783496 1071870429 /nfs/dbraw/zinc/87/04/29/1071870429.db2.gz LWHWNNKJWMMFDV-VCHYOVAHSA-N -1 0 575.883 6.124 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)c2c1 ZINC000408782958 1071874888 /nfs/dbraw/zinc/87/48/88/1071874888.db2.gz IZYWNASTDSDIJI-KGENOOAVSA-N -1 0 509.356 5.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409041901 1071875811 /nfs/dbraw/zinc/87/58/11/1071875811.db2.gz KQLBHSVUVUWXOJ-GIJQJNRQSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409041946 1071876461 /nfs/dbraw/zinc/87/64/61/1071876461.db2.gz LKFWECMKSGBIJS-CAOOACKPSA-N -1 0 554.188 6.685 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409042364 1071872214 /nfs/dbraw/zinc/87/22/14/1071872214.db2.gz MORCEYSOILCLSX-RGVLZGJSSA-N -1 0 568.413 5.384 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409042253 1071873984 /nfs/dbraw/zinc/87/39/84/1071873984.db2.gz LWJAMFWKQILNRQ-YDZHTSKRSA-N -1 0 551.813 7.045 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Br)cc1 ZINC000409042064 1071874630 /nfs/dbraw/zinc/87/46/30/1071874630.db2.gz BEEUPTODQPQCAG-MHWRWJLKSA-N -1 0 654.720 5.608 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408796543 1071878486 /nfs/dbraw/zinc/87/84/86/1071878486.db2.gz AKQXYBRNCKPUFK-VCHYOVAHSA-N -1 0 590.257 6.318 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)C1=O ZINC000409041632 1071878813 /nfs/dbraw/zinc/87/88/13/1071878813.db2.gz KFCSAKLVNCFRNB-QGMBQPNBSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409041475 1071880718 /nfs/dbraw/zinc/88/07/18/1071880718.db2.gz JPVPTZOLSXQJCS-KEBDBYFISA-N -1 0 586.258 7.699 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409041241 1071880751 /nfs/dbraw/zinc/88/07/51/1071880751.db2.gz JHEYKQZHYMWSGL-GIJQJNRQSA-N -1 0 501.297 5.084 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408796064 1071880760 /nfs/dbraw/zinc/88/07/60/1071880760.db2.gz DCFCHZQIHAHKKG-VCHYOVAHSA-N -1 0 546.750 5.800 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000409040543 1071888527 /nfs/dbraw/zinc/88/85/27/1071888527.db2.gz GONUFXDPAZTTTM-VXLYETTFSA-N -1 0 604.240 5.788 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(C)C)C2=O)cc1Cl ZINC000409040272 1071891228 /nfs/dbraw/zinc/89/12/28/1071891228.db2.gz GCNVYHQJGUDGBG-FRKPEAEDSA-N -1 0 570.665 5.875 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409039786 1071894756 /nfs/dbraw/zinc/89/47/56/1071894756.db2.gz DNABRFJMAGBZMZ-VIZOYTHASA-N -1 0 570.643 7.199 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1 ZINC000409039675 1071896259 /nfs/dbraw/zinc/89/62/59/1071896259.db2.gz CYFFSENTXNIEKA-CIAFOILYSA-N -1 0 618.253 5.995 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408788238 1071899022 /nfs/dbraw/zinc/89/90/22/1071899022.db2.gz CUFNHZZKKHWDCO-GIJQJNRQSA-N -1 0 719.100 6.448 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408806484 1071903659 /nfs/dbraw/zinc/90/36/59/1071903659.db2.gz DZLUQAUDWSOITD-YDZHTSKRSA-N -1 0 563.006 5.388 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408788007 1071900229 /nfs/dbraw/zinc/90/02/29/1071900229.db2.gz CBIJZLADXYWXFT-LICLKQGHSA-N -1 0 515.378 5.140 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Cl)c3)C2=O)cc1C ZINC000408806650 1071903273 /nfs/dbraw/zinc/90/32/73/1071903273.db2.gz GBPKFJJXWWODMN-MFKUBSTISA-N -1 0 525.004 6.664 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408798013 1071913149 /nfs/dbraw/zinc/91/31/49/1071913149.db2.gz DKGRMWCECYQATC-ZMOGYAJESA-N -1 0 575.448 7.099 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408804580 1071908874 /nfs/dbraw/zinc/90/88/74/1071908874.db2.gz YNHGDRDQBGKJTD-RGVLZGJSSA-N -1 0 566.364 5.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408804426 1071909268 /nfs/dbraw/zinc/90/92/68/1071909268.db2.gz FWPCULSWUDZKMX-MFKUBSTISA-N -1 0 555.030 6.754 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408803011 1071909863 /nfs/dbraw/zinc/90/98/63/1071909863.db2.gz KJDPPOWKMMEHMA-GIJQJNRQSA-N -1 0 637.257 6.160 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408802769 1071911144 /nfs/dbraw/zinc/91/11/44/1071911144.db2.gz HEXDIJSDSFEASB-ZMOGYAJESA-N -1 0 729.354 7.431 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408802739 1071911285 /nfs/dbraw/zinc/91/12/85/1071911285.db2.gz GTMPHGGVZGQGAN-MTDXEUNCSA-N -1 0 549.539 5.419 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409057067 1071911580 /nfs/dbraw/zinc/91/15/80/1071911580.db2.gz ORPNGUHSCBKQLP-GZTJUZNOSA-N -1 0 654.720 5.608 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Br)cc1 ZINC000409057030 1071911788 /nfs/dbraw/zinc/91/17/88/1071911788.db2.gz ONTNVBGZOIRTJL-LICLKQGHSA-N -1 0 604.682 6.419 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408802276 1071911909 /nfs/dbraw/zinc/91/19/09/1071911909.db2.gz YTRJSOJLXUDAKD-KEBDBYFISA-N -1 0 667.283 6.251 40 10 KKCBRM CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409057078 1071912175 /nfs/dbraw/zinc/91/21/75/1071912175.db2.gz OTRTYBPYVXRWKB-WSDLNYQXSA-N -1 0 628.317 6.492 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409047445 1071915623 /nfs/dbraw/zinc/91/56/23/1071915623.db2.gz OQTCNZPJICIEOG-GIJQJNRQSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409056600 1071920319 /nfs/dbraw/zinc/92/03/19/1071920319.db2.gz MXUMQCFPYBQJCT-KEBDBYFISA-N -1 0 618.709 6.727 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000409055660 1071926555 /nfs/dbraw/zinc/92/65/55/1071926555.db2.gz JSHMIXDDJZHBNS-VCHYOVAHSA-N -1 0 620.681 6.119 40 10 KKCBRM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409054353 1071934718 /nfs/dbraw/zinc/93/47/18/1071934718.db2.gz FNGMNIDQPVOTJV-YDZHTSKRSA-N -1 0 628.317 6.492 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409052880 1071943880 /nfs/dbraw/zinc/94/38/80/1071943880.db2.gz BDKVFEGLCDHPQA-CAOOACKPSA-N -1 0 550.225 6.854 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409050159 1071958922 /nfs/dbraw/zinc/95/89/22/1071958922.db2.gz ZQFRKBUBWVHBFP-CAOOACKPSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000409050197 1071958955 /nfs/dbraw/zinc/95/89/55/1071958955.db2.gz SLAJZPBUALMYKO-VCHYOVAHSA-N -1 0 558.805 5.639 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409050023 1071960064 /nfs/dbraw/zinc/96/00/64/1071960064.db2.gz ZNBSMGLDHDTZGO-VCHYOVAHSA-N -1 0 601.207 5.365 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409049898 1071961247 /nfs/dbraw/zinc/96/12/47/1071961247.db2.gz YNNRNJYJMMCWAL-WSDLNYQXSA-N -1 0 592.446 5.067 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c1 ZINC000409049713 1071961604 /nfs/dbraw/zinc/96/16/04/1071961604.db2.gz XZMMRJMNDYAYQU-WPWMEQJKSA-N -1 0 596.039 5.911 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409049785 1071962280 /nfs/dbraw/zinc/96/22/80/1071962280.db2.gz YRMLLALQKFVBKP-WSDLNYQXSA-N -1 0 651.267 6.518 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409049817 1071962777 /nfs/dbraw/zinc/96/27/77/1071962777.db2.gz XQSHKHBXXQQPIH-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409049655 1071963880 /nfs/dbraw/zinc/96/38/80/1071963880.db2.gz XOWRYKWHWPVEAX-YBFXNURJSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1 ZINC000409049174 1071966204 /nfs/dbraw/zinc/96/62/04/1071966204.db2.gz VHOCRTNFQFLOSH-CIAFOILYSA-N -1 0 618.253 5.995 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409049009 1071967337 /nfs/dbraw/zinc/96/73/37/1071967337.db2.gz VMMJVFWVKRHJTG-QGMBQPNBSA-N -1 0 659.545 7.417 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000409048318 1071972632 /nfs/dbraw/zinc/97/26/32/1071972632.db2.gz SKYGJBLBIZXBLX-RGVLZGJSSA-N -1 0 590.257 6.400 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409048619 1071970501 /nfs/dbraw/zinc/97/05/01/1071970501.db2.gz SZRHZIAIWKHFNT-QGMBQPNBSA-N -1 0 635.652 6.019 40 10 KKCBRM CC(C)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000409047635 1071979220 /nfs/dbraw/zinc/97/92/20/1071979220.db2.gz OZPFAHFHAPVXNC-VIZOYTHASA-N -1 0 540.183 5.052 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409058657 1071985902 /nfs/dbraw/zinc/98/59/02/1071985902.db2.gz SKMIACUDRKKXTF-UDWIEESQSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409057667 1071991922 /nfs/dbraw/zinc/99/19/22/1071991922.db2.gz QFXCHRHSOOEQGT-VXLYETTFSA-N -1 0 668.747 5.916 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409058104 1071989114 /nfs/dbraw/zinc/98/91/14/1071989114.db2.gz RFWMFJNSUVMDDT-MTDXEUNCSA-N -1 0 596.039 5.911 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409057717 1071992448 /nfs/dbraw/zinc/99/24/48/1071992448.db2.gz QKJLISCFQDUMFM-UDWIEESQSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[N-]C1=S ZINC000409066459 1071995436 /nfs/dbraw/zinc/99/54/36/1071995436.db2.gz AUEVFUKFAMMYAY-RGVLZGJSSA-N -1 0 554.886 6.790 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065596 1072009004 /nfs/dbraw/zinc/00/90/04/1072009004.db2.gz HWEDWSWBCAUDQX-GIJQJNRQSA-N -1 0 640.295 5.507 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1Br ZINC000409066190 1072005199 /nfs/dbraw/zinc/00/51/99/1072005199.db2.gz AXRWNUPJFDPWIU-RVDMUPIBSA-N -1 0 533.209 5.830 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1C ZINC000409064926 1072011467 /nfs/dbraw/zinc/01/14/67/1072011467.db2.gz JGDDIZDIFATOJW-RGVLZGJSSA-N -1 0 668.747 5.916 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1C ZINC000409063905 1072018517 /nfs/dbraw/zinc/01/85/17/1072018517.db2.gz FCXVGPOIUWUSMT-VXLYETTFSA-N -1 0 668.747 5.916 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409059685 1072038295 /nfs/dbraw/zinc/03/82/95/1072038295.db2.gz WUWJDRAPMDTNBF-LICLKQGHSA-N -1 0 536.220 5.284 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409074434 1072040406 /nfs/dbraw/zinc/04/04/06/1072040406.db2.gz LREAWRDWXFFILB-YBFXNURJSA-N -1 0 575.426 5.135 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409076577 1072047956 /nfs/dbraw/zinc/04/79/56/1072047956.db2.gz BNXHBPXNHFKOHH-LZYBPNLTSA-N -1 0 573.301 5.277 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409076054 1072055246 /nfs/dbraw/zinc/05/52/46/1072055246.db2.gz XCOXZNVCGBOKRN-WOJGMQOQSA-N -1 0 701.322 5.739 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409076544 1072051182 /nfs/dbraw/zinc/05/11/82/1072051182.db2.gz AKMPMFPNSOTHKL-XKZIYDEJSA-N -1 0 700.270 6.294 40 10 KKCBRM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076113 1072055834 /nfs/dbraw/zinc/05/58/34/1072055834.db2.gz XXENSAADNCZQGH-UHFFFAOYSA-N -1 0 597.023 6.599 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000409075997 1072054727 /nfs/dbraw/zinc/05/47/27/1072054727.db2.gz WEDZXLDOCKYADR-DEDYPNTBSA-N -1 0 547.398 5.562 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075276 1072061325 /nfs/dbraw/zinc/06/13/25/1072061325.db2.gz QIWCKAHPHJNWMS-MFKUBSTISA-N -1 0 744.947 5.966 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409075128 1072062223 /nfs/dbraw/zinc/06/22/23/1072062223.db2.gz UWAQJHXPVWINSA-PCLIKHOPSA-N -1 0 623.470 6.007 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409074694 1072066282 /nfs/dbraw/zinc/06/62/82/1072066282.db2.gz USNINFYFNQGLOW-KGENOOAVSA-N -1 0 504.373 6.221 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c(C)c1 ZINC000409074560 1072067196 /nfs/dbraw/zinc/06/71/96/1072067196.db2.gz MXZSBWBGVMZZGL-LDADJPATSA-N -1 0 526.376 5.162 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409073889 1072072194 /nfs/dbraw/zinc/07/21/94/1072072194.db2.gz NVXZEEANKNQWFZ-XQNSMLJCSA-N -1 0 521.086 5.733 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073659 1072072244 /nfs/dbraw/zinc/07/22/44/1072072244.db2.gz HPFDUSUSPGYREL-UHFFFAOYSA-N -1 0 674.447 6.160 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072870 1072079830 /nfs/dbraw/zinc/07/98/30/1072079830.db2.gz NVOLPZRHVRTTPP-VCHYOVAHSA-N -1 0 581.817 5.090 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409072910 1072080330 /nfs/dbraw/zinc/08/03/30/1072080330.db2.gz UGCONIJHYQNWKG-LICLKQGHSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409072368 1072082687 /nfs/dbraw/zinc/08/26/87/1072082687.db2.gz JVJLPBCYRWFHME-AFUMVMLFSA-N -1 0 513.613 5.560 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072434 1072083066 /nfs/dbraw/zinc/08/30/66/1072083066.db2.gz NLXIDKISCFVGMR-VCHYOVAHSA-N -1 0 673.268 5.041 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409071925 1072085702 /nfs/dbraw/zinc/08/57/02/1072085702.db2.gz QPNRIQTVRXVTTQ-ZVHZXABRSA-N -1 0 657.915 6.660 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071458 1072088117 /nfs/dbraw/zinc/08/81/17/1072088117.db2.gz OQKBKEVCCBLSMN-LICLKQGHSA-N -1 0 581.817 5.090 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409070462 1072094918 /nfs/dbraw/zinc/09/49/18/1072094918.db2.gz XXWKBYPTJRQLQV-LFIBNONCSA-N -1 0 640.693 5.299 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409070310 1072095687 /nfs/dbraw/zinc/09/56/87/1072095687.db2.gz ZWXFBEDKWJNNLJ-YBFXNURJSA-N -1 0 619.877 5.244 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409070032 1072097909 /nfs/dbraw/zinc/09/79/09/1072097909.db2.gz KJNHCPDSKHTGDE-AFUMVMLFSA-N -1 0 624.977 7.773 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409069819 1072100400 /nfs/dbraw/zinc/10/04/00/1072100400.db2.gz WWOJWVVBORPBLG-YBFXNURJSA-N -1 0 619.877 5.244 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409068211 1072113608 /nfs/dbraw/zinc/11/36/08/1072113608.db2.gz HTYUHUDWEXQEHS-CXUHLZMHSA-N -1 0 600.263 6.043 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068185 1072113664 /nfs/dbraw/zinc/11/36/64/1072113664.db2.gz SYXHHRJLEOMKJQ-WGOQTCKBSA-N -1 0 758.974 6.356 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1C ZINC000409080863 1072118799 /nfs/dbraw/zinc/11/87/99/1072118799.db2.gz NXECEKGVDBTULB-CAOOACKPSA-N -1 0 660.231 6.104 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080765 1072121025 /nfs/dbraw/zinc/12/10/25/1072121025.db2.gz MQVHHQWVVVMEJA-RQZCQDPDSA-N -1 0 654.779 6.887 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080171 1072126465 /nfs/dbraw/zinc/12/64/65/1072126465.db2.gz MHOVCMLPOLJNSV-VXLYETTFSA-N -1 0 695.388 6.692 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080190 1072126972 /nfs/dbraw/zinc/12/69/72/1072126972.db2.gz MMNAVYIONSYXTF-LICLKQGHSA-N -1 0 667.334 6.076 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409078985 1072139925 /nfs/dbraw/zinc/13/99/25/1072139925.db2.gz JYACXBDSLJQSGE-VIZOYTHASA-N -1 0 650.167 5.626 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409078981 1072139959 /nfs/dbraw/zinc/13/99/59/1072139959.db2.gz JWIKHUHNSKUUAD-FRKPEAEDSA-N -1 0 680.649 6.449 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409079090 1072137721 /nfs/dbraw/zinc/13/77/21/1072137721.db2.gz KEONJKMTZGCIML-WLRTZDKTSA-N -1 0 612.165 6.575 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078814 1072141395 /nfs/dbraw/zinc/14/13/95/1072141395.db2.gz JMFQKGXRAQTKHZ-LZYBPNLTSA-N -1 0 698.304 5.594 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1C ZINC000409078304 1072147714 /nfs/dbraw/zinc/14/77/14/1072147714.db2.gz IHCHPNQCQNTGES-CAOOACKPSA-N -1 0 683.231 7.214 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409077422 1072157246 /nfs/dbraw/zinc/15/72/46/1072157246.db2.gz FQCLIFCPJCNINQ-OVCLIPMQSA-N -1 0 591.747 6.230 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409086013 1072172062 /nfs/dbraw/zinc/17/20/62/1072172062.db2.gz PQUCZGHFDZEEEG-GZTJUZNOSA-N -1 0 545.857 6.034 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085803 1072173190 /nfs/dbraw/zinc/17/31/90/1072173190.db2.gz ZMDRBWXPTDENNQ-RQZCQDPDSA-N -1 0 561.856 5.734 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409085703 1072175467 /nfs/dbraw/zinc/17/54/67/1072175467.db2.gz CTEGDYLRERYZNB-LFIBNONCSA-N -1 0 531.830 5.726 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1C ZINC000409085502 1072176656 /nfs/dbraw/zinc/17/66/56/1072176656.db2.gz XELMQHIMQJEMJE-CAOOACKPSA-N -1 0 571.329 5.885 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409084451 1072187970 /nfs/dbraw/zinc/18/79/70/1072187970.db2.gz XZJPCAXXXRVEAN-LZYBPNLTSA-N -1 0 601.753 5.686 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409096762 1072231890 /nfs/dbraw/zinc/23/18/90/1072231890.db2.gz KNBSIIXZZYDZHM-OQLLNIDSSA-N -1 0 567.654 6.483 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409095718 1072237536 /nfs/dbraw/zinc/23/75/36/1072237536.db2.gz ILWCGMWDUPCWPE-RVDMUPIBSA-N -1 0 505.155 5.213 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409094829 1072242949 /nfs/dbraw/zinc/24/29/49/1072242949.db2.gz ADMPYABJORMWOY-DIBXZPPDSA-N -1 0 608.550 8.258 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409091765 1072267456 /nfs/dbraw/zinc/26/74/56/1072267456.db2.gz UHVNAAMJOKEVJJ-LZYBPNLTSA-N -1 0 685.203 6.606 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(=O)[O-] ZINC000409090447 1072280188 /nfs/dbraw/zinc/28/01/88/1072280188.db2.gz PMZGWSAXGZWCMM-MOSHPQCFSA-N -1 0 521.367 5.146 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090265 1072283396 /nfs/dbraw/zinc/28/33/96/1072283396.db2.gz LVAWUPPMWXMYGJ-VCHYOVAHSA-N -1 0 566.910 5.322 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409090078 1072284377 /nfs/dbraw/zinc/28/43/77/1072284377.db2.gz OOZVZXIAEOWIGK-LZYBPNLTSA-N -1 0 690.213 5.273 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409089890 1072285319 /nfs/dbraw/zinc/28/53/19/1072285319.db2.gz KWPRRSWTFWOHCI-MHWRWJLKSA-N -1 0 624.753 6.797 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409089810 1072287164 /nfs/dbraw/zinc/28/71/64/1072287164.db2.gz KETVJWXZWGVSCV-VGOFMYFVSA-N -1 0 622.171 6.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409088024 1072302534 /nfs/dbraw/zinc/30/25/34/1072302534.db2.gz VSNPXPJGAJISKG-CXUHLZMHSA-N -1 0 592.280 5.540 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000409102112 1072311350 /nfs/dbraw/zinc/31/13/50/1072311350.db2.gz COMQYQNVAXHKQF-RCCKNPSSSA-N -1 0 525.436 5.914 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)c1 ZINC000409101486 1072314947 /nfs/dbraw/zinc/31/49/47/1072314947.db2.gz YLRKTYALQVRZPL-CIAFOILYSA-N -1 0 560.878 6.786 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409106706 1072342073 /nfs/dbraw/zinc/34/20/73/1072342073.db2.gz STIPVDPSKAMCQI-LSHDLFTRSA-N -1 0 686.376 7.680 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409335673 1072337543 /nfs/dbraw/zinc/33/75/43/1072337543.db2.gz YINJWQUYCGQMLV-UDWIEESQSA-N -1 0 656.976 6.530 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409105192 1072350252 /nfs/dbraw/zinc/35/02/52/1072350252.db2.gz JSBRZSKRNPSVOU-XDHOZWIPSA-N -1 0 524.791 6.316 40 10 KKCBRM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1 ZINC000409105458 1072350279 /nfs/dbraw/zinc/35/02/79/1072350279.db2.gz JWPYFCKJHJOVQB-LPYMAVHISA-N -1 0 506.536 5.027 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409331486 1072368235 /nfs/dbraw/zinc/36/82/35/1072368235.db2.gz OGXNBVDLLVKZQO-WSDLNYQXSA-N -1 0 632.583 5.700 40 10 KKCBRM Cc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409330346 1072377242 /nfs/dbraw/zinc/37/72/42/1072377242.db2.gz LHTRYIPQZPPXPL-UDWIEESQSA-N -1 0 513.438 5.961 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000409345452 1072424770 /nfs/dbraw/zinc/42/47/70/1072424770.db2.gz IMQCKVYKDCDBNL-UUASQNMZSA-N -1 0 563.329 5.454 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409345140 1072427485 /nfs/dbraw/zinc/42/74/85/1072427485.db2.gz JYJBBWOHKOHHNP-YBFXNURJSA-N -1 0 626.494 5.626 40 10 KKCBRM Cc1c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409120542 1072429624 /nfs/dbraw/zinc/42/96/24/1072429624.db2.gz WLCVAQOXVJHAKF-RGVLZGJSSA-N -1 0 505.448 5.981 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409126552 1072451567 /nfs/dbraw/zinc/45/15/67/1072451567.db2.gz CITOFHUDAYPCIW-WSDLNYQXSA-N -1 0 599.467 6.040 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1OC ZINC000409125371 1072460240 /nfs/dbraw/zinc/46/02/40/1072460240.db2.gz FCFJAYADHILZLZ-YZSQISJMSA-N -1 0 619.501 7.185 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCC)c(Br)c3)C2=O)cc1OC ZINC000409123889 1072469116 /nfs/dbraw/zinc/46/91/16/1072469116.db2.gz IVWCWJBALSRTNJ-CXUHLZMHSA-N -1 0 596.272 5.070 40 10 KKCBRM Cc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409338919 1072481914 /nfs/dbraw/zinc/48/19/14/1072481914.db2.gz QRTXEIYGJGYEKK-NVMNQCDNSA-N -1 0 508.477 6.009 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409338521 1072483629 /nfs/dbraw/zinc/48/36/29/1072483629.db2.gz LHGBBALUWVNQKZ-KEBDBYFISA-N -1 0 638.974 5.736 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409338194 1072488849 /nfs/dbraw/zinc/48/88/49/1072488849.db2.gz FOZPZBVNJGTPOC-UCQKPKSFSA-N -1 0 567.714 5.444 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[N-]C2=S)c1C ZINC000409134698 1072490030 /nfs/dbraw/zinc/49/00/30/1072490030.db2.gz SWCIGNUYUZRXCZ-BOPFTXTBSA-N -1 0 526.368 5.065 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCCC)C2=O)cc1OC ZINC000409133988 1072495076 /nfs/dbraw/zinc/49/50/76/1072495076.db2.gz OEZNLLYTIURJRF-LDADJPATSA-N -1 0 521.397 5.242 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409131336 1072509408 /nfs/dbraw/zinc/50/94/08/1072509408.db2.gz IPLDIWMCDSUNNI-SRZZPIQSSA-N -1 0 614.438 5.940 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409131046 1072511533 /nfs/dbraw/zinc/51/15/33/1072511533.db2.gz JJROGOREISTJME-CIAFOILYSA-N -1 0 599.467 6.040 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409130221 1072516091 /nfs/dbraw/zinc/51/60/91/1072516091.db2.gz MDUYXSMMCSELGK-LPYMAVHISA-N -1 0 613.892 6.141 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1OC ZINC000409129566 1072518649 /nfs/dbraw/zinc/51/86/49/1072518649.db2.gz GXXOMIHDIGJSGJ-HYARGMPZSA-N -1 0 658.343 6.250 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1OC ZINC000409129416 1072520875 /nfs/dbraw/zinc/52/08/75/1072520875.db2.gz GPVJWOCXWYEXRO-HAHDFKILSA-N -1 0 534.996 5.378 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409351131 1072538566 /nfs/dbraw/zinc/53/85/66/1072538566.db2.gz ZQUISPVXIKNVBB-VCHYOVAHSA-N -1 0 644.819 7.052 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c1 ZINC000409350559 1072542636 /nfs/dbraw/zinc/54/26/36/1072542636.db2.gz YLMBXXFORJXNTI-YBFXNURJSA-N -1 0 527.352 5.082 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409142681 1072546882 /nfs/dbraw/zinc/54/68/82/1072546882.db2.gz FNLCPHMDGTYELD-CVKSISIWSA-N -1 0 654.007 7.698 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409142008 1072550146 /nfs/dbraw/zinc/55/01/46/1072550146.db2.gz KUIBGFSMDWUERJ-WGOQTCKBSA-N -1 0 619.501 7.185 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCCC)c(Br)c3)C2=O)cc1OC ZINC000409141438 1072553104 /nfs/dbraw/zinc/55/31/04/1072553104.db2.gz VFHWWWFCAUSKMD-LICLKQGHSA-N -1 0 610.299 5.460 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409348897 1072553248 /nfs/dbraw/zinc/55/32/48/1072553248.db2.gz TWXYSUMZGKEPNI-CIAFOILYSA-N -1 0 601.422 5.072 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S)c1cccs1 ZINC000409349146 1072553385 /nfs/dbraw/zinc/55/33/85/1072553385.db2.gz VBXRTKUZEHPIMN-VXLYETTFSA-N -1 0 521.472 6.180 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409348602 1072555530 /nfs/dbraw/zinc/55/55/30/1072555530.db2.gz PDCHOWVYLQOHTC-RGVLZGJSSA-N -1 0 644.421 7.341 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409140518 1072558227 /nfs/dbraw/zinc/55/82/27/1072558227.db2.gz FEQRMLHEGOHSBT-MFKUBSTISA-N -1 0 567.627 5.638 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138566 1072569810 /nfs/dbraw/zinc/56/98/10/1072569810.db2.gz DUFSVBZICKYOTL-BUVRLJJBSA-N -1 0 623.500 5.886 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409138373 1072570777 /nfs/dbraw/zinc/57/07/77/1072570777.db2.gz ATBWFMZSIKGXQQ-CIAFOILYSA-N -1 0 690.918 5.992 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409137476 1072574790 /nfs/dbraw/zinc/57/47/90/1072574790.db2.gz WRSARARVQLCPAK-OEAKJJBVSA-N -1 0 593.474 5.796 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O ZINC000409365984 1072575803 /nfs/dbraw/zinc/57/58/03/1072575803.db2.gz WXMVBVVNPQXIES-VXLYETTFSA-N -1 0 586.801 5.234 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409145815 1072585010 /nfs/dbraw/zinc/58/50/10/1072585010.db2.gz RXNUZMVHAOJNNW-FYJGNVAPSA-N -1 0 534.468 6.445 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409375539 1072624145 /nfs/dbraw/zinc/62/41/45/1072624145.db2.gz MHTGKNQFZRKLLY-LPYMAVHISA-N -1 0 646.934 6.316 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409377202 1072624731 /nfs/dbraw/zinc/62/47/31/1072624731.db2.gz GTNVAUSZQZAKBJ-ONUIUJJFSA-N -1 0 656.091 6.010 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409377175 1072626598 /nfs/dbraw/zinc/62/65/98/1072626598.db2.gz GOSHEAFHWXGXCO-FYJGNVAPSA-N -1 0 551.462 5.430 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409149144 1072637717 /nfs/dbraw/zinc/63/77/17/1072637717.db2.gz YBHRDRNQGHYYBS-SRZZPIQSSA-N -1 0 727.233 7.557 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OCCC)C2=O)cc1OC ZINC000409148729 1072640459 /nfs/dbraw/zinc/64/04/59/1072640459.db2.gz QYCCQNVPTQVHMA-LDADJPATSA-N -1 0 610.299 5.460 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000409373296 1072641944 /nfs/dbraw/zinc/64/19/44/1072641944.db2.gz GSONIJSDFIKCJH-OEAKJJBVSA-N -1 0 531.362 5.436 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409147687 1072646935 /nfs/dbraw/zinc/64/69/35/1072646935.db2.gz VSNKPAYXBIUNBJ-LPYMAVHISA-N -1 0 688.490 5.867 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409371788 1072647769 /nfs/dbraw/zinc/64/77/69/1072647769.db2.gz HYQYVRQLEVZZRM-LPYMAVHISA-N -1 0 531.362 5.436 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409147536 1072647929 /nfs/dbraw/zinc/64/79/29/1072647929.db2.gz MQHMQUDIZIXHLL-WSDLNYQXSA-N -1 0 643.918 6.150 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2-c2ccccc2)cc1 ZINC000409371752 1072648598 /nfs/dbraw/zinc/64/85/98/1072648598.db2.gz HENGLNZATALFJD-BRPDVVIDSA-N -1 0 585.616 6.243 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409371377 1072649161 /nfs/dbraw/zinc/64/91/61/1072649161.db2.gz WFMMHHVWYRCFGQ-KGENOOAVSA-N -1 0 507.011 5.321 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)[N-]C1=S ZINC000409165902 1072653177 /nfs/dbraw/zinc/65/31/77/1072653177.db2.gz ALDHATQUSDOGHG-GZTJUZNOSA-N -1 0 500.407 5.241 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409370099 1072655863 /nfs/dbraw/zinc/65/58/63/1072655863.db2.gz KZNOPQWETGXORM-GZTJUZNOSA-N -1 0 588.842 5.090 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409379104 1072671446 /nfs/dbraw/zinc/67/14/46/1072671446.db2.gz UDZWGPVICOJETK-CIAFOILYSA-N -1 0 525.001 5.460 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C(=O)[N-]C2=S)cc1 ZINC000409378834 1072673048 /nfs/dbraw/zinc/67/30/48/1072673048.db2.gz SETCYQSTWFMXJG-CIAFOILYSA-N -1 0 590.326 6.729 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409378608 1072675680 /nfs/dbraw/zinc/67/56/80/1072675680.db2.gz QPLJHAZLDGGOFG-OFWBYEQRSA-N -1 0 588.132 7.858 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409378136 1072677328 /nfs/dbraw/zinc/67/73/28/1072677328.db2.gz MLGLYNZWECBDHF-UNOMPAQXSA-N -1 0 628.863 5.194 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1OCC ZINC000409377377 1072679961 /nfs/dbraw/zinc/67/99/61/1072679961.db2.gz HTIMMFBTQNRIPM-RCCKNPSSSA-N -1 0 640.462 5.460 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409387098 1072684024 /nfs/dbraw/zinc/68/40/24/1072684024.db2.gz NRDXIKMNWNPTDB-HYARGMPZSA-N -1 0 565.489 5.821 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409386241 1072687057 /nfs/dbraw/zinc/68/70/57/1072687057.db2.gz LZBKTNPLGUATFC-IWIPYMOSSA-N -1 0 674.479 5.860 40 10 KKCBRM Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386029 1072689606 /nfs/dbraw/zinc/68/96/06/1072689606.db2.gz NJPZEWGRFIIJJP-NDENLUEZSA-N -1 0 510.015 5.479 40 10 KKCBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409385363 1072692987 /nfs/dbraw/zinc/69/29/87/1072692987.db2.gz HZJUZJITAIKUPT-LLUUXILJSA-N -1 0 513.830 5.664 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O[C@@H](C)CC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409384506 1072697414 /nfs/dbraw/zinc/69/74/14/1072697414.db2.gz CKAANFDASXDUJI-BGARDKSCSA-N -1 0 517.445 5.029 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1F ZINC000409382454 1072706514 /nfs/dbraw/zinc/70/65/14/1072706514.db2.gz MYNIPANKZOUJPW-BWAHOGKJSA-N -1 0 565.557 5.089 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409381150 1072713168 /nfs/dbraw/zinc/71/31/68/1072713168.db2.gz DEFJNIAHGOWQBV-VCHYOVAHSA-N -1 0 586.403 5.524 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)C(=O)[N-]C2=S)cc1 ZINC000409380173 1072719159 /nfs/dbraw/zinc/71/91/59/1072719159.db2.gz JPIZCWHMTCDOTA-KGENOOAVSA-N -1 0 539.426 5.561 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409379688 1072721394 /nfs/dbraw/zinc/72/13/94/1072721394.db2.gz YKHAXDISLUJFRP-HYARGMPZSA-N -1 0 565.489 5.821 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409394108 1072723872 /nfs/dbraw/zinc/72/38/72/1072723872.db2.gz VTVSZILSEAPXEO-WGOQTCKBSA-N -1 0 571.431 5.497 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409389863 1072731446 /nfs/dbraw/zinc/73/14/46/1072731446.db2.gz CORBAWOCEKEWCA-DIBXZPPDSA-N -1 0 589.449 6.635 40 10 KKCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)o1 ZINC000409172584 1072732982 /nfs/dbraw/zinc/73/29/82/1072732982.db2.gz DDMPFJJXSBVZTD-JAIQZWGSSA-N -1 0 541.379 5.391 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(I)cc3)C(=O)[N-]C2=S)cc1 ZINC000409389150 1072734689 /nfs/dbraw/zinc/73/46/89/1072734689.db2.gz ZNAMVJIAEDTJNO-HYARGMPZSA-N -1 0 647.332 6.026 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C(=O)[N-]C1=S ZINC000409171558 1072739978 /nfs/dbraw/zinc/73/99/78/1072739978.db2.gz DOGCELMABIRVIY-HZHRSRAPSA-N -1 0 569.599 5.030 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409387822 1072742315 /nfs/dbraw/zinc/74/23/15/1072742315.db2.gz RCFDLLZYGJBPBY-LPYMAVHISA-N -1 0 566.035 5.620 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br ZINC000409400487 1072745600 /nfs/dbraw/zinc/74/56/00/1072745600.db2.gz RUKXOSUWQALHHY-NVMNQCDNSA-N -1 0 603.223 5.169 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Cl)cc1 ZINC000409400141 1072746629 /nfs/dbraw/zinc/74/66/29/1072746629.db2.gz PHKXNEHNSMYOHJ-UNOMPAQXSA-N -1 0 562.247 6.195 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1F ZINC000409399828 1072747636 /nfs/dbraw/zinc/74/76/36/1072747636.db2.gz NGMZOCBPOWMUNF-ATVHPVEESA-N -1 0 633.268 5.228 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409399636 1072748646 /nfs/dbraw/zinc/74/86/46/1072748646.db2.gz KYZHTHWKWSKAFY-XKZIYDEJSA-N -1 0 578.260 6.405 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409399252 1072750194 /nfs/dbraw/zinc/75/01/94/1072750194.db2.gz HAZSFKINYUUNTP-ODLFYWEKSA-N -1 0 518.194 5.796 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)CC ZINC000409399066 1072751150 /nfs/dbraw/zinc/75/11/50/1072751150.db2.gz FOFIWZXEDVOENR-YYTPVVGHSA-N -1 0 538.236 5.249 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Br)cc1Br ZINC000409398857 1072751605 /nfs/dbraw/zinc/75/16/05/1072751605.db2.gz FAKYSKJHVFYDOM-ZDLGFXPLSA-N -1 0 730.045 7.176 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168302 1072755278 /nfs/dbraw/zinc/75/52/78/1072755278.db2.gz MKXMZDVQAQDJMH-JOWJHRDDSA-N -1 0 609.731 8.522 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409168183 1072756115 /nfs/dbraw/zinc/75/61/15/1072756115.db2.gz LHDDPNYAKFFAJG-XFAGBWLFSA-N -1 0 575.286 7.868 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185118 1072772666 /nfs/dbraw/zinc/77/26/66/1072772666.db2.gz JKOBMBJJKJYXGG-FMWYSGSYSA-N -1 0 591.689 5.778 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409183295 1072783539 /nfs/dbraw/zinc/78/35/39/1072783539.db2.gz AMZQNFDQCMWWRX-RGVLZGJSSA-N -1 0 590.655 6.110 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183104 1072786763 /nfs/dbraw/zinc/78/67/63/1072786763.db2.gz AFYDKSBPDREOQR-NRNSZXCESA-N -1 0 776.709 8.120 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409408425 1072815459 /nfs/dbraw/zinc/81/54/59/1072815459.db2.gz QMXVADWNWVDGAK-NDENLUEZSA-N -1 0 511.347 5.027 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000409196106 1072834004 /nfs/dbraw/zinc/83/40/04/1072834004.db2.gz NHFMCMDVDJQDCP-CIAFOILYSA-N -1 0 521.664 5.007 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409194718 1072841082 /nfs/dbraw/zinc/84/10/82/1072841082.db2.gz QRXOVQHZJNEIDO-CIAFOILYSA-N -1 0 617.913 7.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409194615 1072842029 /nfs/dbraw/zinc/84/20/29/1072842029.db2.gz QEVBRIDJEDMOEO-ZVHZXABRSA-N -1 0 655.517 6.415 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1OCC ZINC000409194621 1072842460 /nfs/dbraw/zinc/84/24/60/1072842460.db2.gz QFKHVGGOHFZVIH-JLPGSUDCSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409193559 1072849341 /nfs/dbraw/zinc/84/93/41/1072849341.db2.gz GOMVPGNXFSXVGU-YDZHTSKRSA-N -1 0 657.945 6.540 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000409193014 1072852591 /nfs/dbraw/zinc/85/25/91/1072852591.db2.gz AGBDOMFRQFGOPT-NDENLUEZSA-N -1 0 521.664 5.007 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409192844 1072853621 /nfs/dbraw/zinc/85/36/21/1072853621.db2.gz FXQGNAGRFCJFLL-ZVHZXABRSA-N -1 0 638.073 6.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191803 1072859303 /nfs/dbraw/zinc/85/93/03/1072859303.db2.gz NPZXXNAVKAYFRT-ZVHZXABRSA-N -1 0 718.972 6.772 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409191667 1072860857 /nfs/dbraw/zinc/86/08/57/1072860857.db2.gz ZZBYRHXFUDBVLR-OEAKJJBVSA-N -1 0 611.066 6.306 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCCC)c(Cl)c3)C2=O)cc1OCC ZINC000409191264 1072863966 /nfs/dbraw/zinc/86/39/66/1072863966.db2.gz FRBMVQVMFMMXHR-WOJGMQOQSA-N -1 0 535.424 5.632 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409191230 1072864257 /nfs/dbraw/zinc/86/42/57/1072864257.db2.gz DVJBYUPUQXDAFD-TURZUDJPSA-N -1 0 599.083 6.922 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCC)c(Br)c3)C2=O)cc1OCC ZINC000409190738 1072866865 /nfs/dbraw/zinc/86/68/65/1072866865.db2.gz VTGPNHZVDIBQLG-LICLKQGHSA-N -1 0 610.299 5.460 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409190342 1072870088 /nfs/dbraw/zinc/87/00/88/1072870088.db2.gz XGHXIEXPAQCWSK-LFVJCYFKSA-N -1 0 567.013 5.908 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409190083 1072872197 /nfs/dbraw/zinc/87/21/97/1072872197.db2.gz WAGFDNYMJOHHJO-OEAKJJBVSA-N -1 0 627.919 6.531 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189804 1072874491 /nfs/dbraw/zinc/87/44/91/1072874491.db2.gz IVPXVCZFRFZJEP-LPYMAVHISA-N -1 0 754.983 5.570 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1OCC ZINC000409189421 1072877831 /nfs/dbraw/zinc/87/78/31/1072877831.db2.gz KZLQYLQGISWSOW-UQQQWYQISA-N -1 0 514.578 5.115 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409188606 1072881715 /nfs/dbraw/zinc/88/17/15/1072881715.db2.gz FLMTUOCQUOEPHC-AUFPJITRSA-N -1 0 523.614 5.652 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409188675 1072881950 /nfs/dbraw/zinc/88/19/50/1072881950.db2.gz JQIRGTUKNCCRET-ZVHZXABRSA-N -1 0 702.517 6.258 40 10 KKCBRM COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188026 1072884025 /nfs/dbraw/zinc/88/40/25/1072884025.db2.gz WKOKGUISXDLWJY-UHFFFAOYSA-N -1 0 564.619 5.721 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409187782 1072885935 /nfs/dbraw/zinc/88/59/35/1072885935.db2.gz CEPJLQZRWSNGTB-OEAKJJBVSA-N -1 0 670.500 5.728 40 10 KKCBRM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409205266 1072899378 /nfs/dbraw/zinc/89/93/78/1072899378.db2.gz AZQKVRORDLLTNY-OEAKJJBVSA-N -1 0 583.018 5.930 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409201870 1072915400 /nfs/dbraw/zinc/91/54/00/1072915400.db2.gz OJGBMNVJGXMAJO-XKZIYDEJSA-N -1 0 503.580 5.084 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S)c1cccs1 ZINC000409197995 1072932860 /nfs/dbraw/zinc/93/28/60/1072932860.db2.gz TYVDVDPAHXRFIU-JCMHNJIXSA-N -1 0 505.646 5.328 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409217235 1072943723 /nfs/dbraw/zinc/94/37/23/1072943723.db2.gz APKRDVYVKOJYSY-WGOQTCKBSA-N -1 0 616.457 6.256 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409227179 1072971203 /nfs/dbraw/zinc/97/12/03/1072971203.db2.gz SZWAIWIHYJVLFF-SRZZPIQSSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000409226509 1072973676 /nfs/dbraw/zinc/97/36/76/1072973676.db2.gz TZMKOFDTNQBBGY-VXLYETTFSA-N -1 0 692.158 5.966 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226162 1072975551 /nfs/dbraw/zinc/97/55/51/1072975551.db2.gz SMPXRTYNHOCAKE-JVWAILMASA-N -1 0 660.510 6.655 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1C ZINC000409226156 1072975644 /nfs/dbraw/zinc/97/56/44/1072975644.db2.gz SLZWZKXDIJVRFM-LPYMAVHISA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225594 1072977752 /nfs/dbraw/zinc/97/77/52/1072977752.db2.gz RHYFZJANTWVSBH-RGVLZGJSSA-N -1 0 724.733 5.790 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c1 ZINC000409224460 1072983931 /nfs/dbraw/zinc/98/39/31/1072983931.db2.gz KFVZFXUTCPPRDE-RGVLZGJSSA-N -1 0 512.337 5.327 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409223694 1072986785 /nfs/dbraw/zinc/98/67/85/1072986785.db2.gz HCFYTYSMBALLSX-CVKSISIWSA-N -1 0 719.386 6.783 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409222269 1072994978 /nfs/dbraw/zinc/99/49/78/1072994978.db2.gz CDNDYDYHCMXAFU-YBFXNURJSA-N -1 0 613.262 5.204 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409222265 1072995014 /nfs/dbraw/zinc/99/50/14/1072995014.db2.gz CCMLDLDNRLFPRF-QGMBQPNBSA-N -1 0 668.125 6.202 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)ccc1Cl ZINC000409221735 1072997109 /nfs/dbraw/zinc/99/71/09/1072997109.db2.gz AIYGHEMTMADBNT-KEBDBYFISA-N -1 0 546.782 5.980 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409219499 1073008731 /nfs/dbraw/zinc/00/87/31/1073008731.db2.gz NEVVKFDBTTXFCY-KOEQRZSOSA-N -1 0 601.656 5.265 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409218057 1073013423 /nfs/dbraw/zinc/01/34/23/1073013423.db2.gz GYXAVHOJHCNJEN-RGVLZGJSSA-N -1 0 680.282 5.681 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409218006 1073014374 /nfs/dbraw/zinc/01/43/74/1073014374.db2.gz GSEKLWFRGQXYQU-OEAKJJBVSA-N -1 0 666.525 5.638 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409217739 1073015396 /nfs/dbraw/zinc/01/53/96/1073015396.db2.gz AWSHWAJYHBUKMQ-CAOOACKPSA-N -1 0 700.700 5.944 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409229326 1073021138 /nfs/dbraw/zinc/02/11/38/1073021138.db2.gz NILHOASEHUVLLN-OEAKJJBVSA-N -1 0 525.596 6.242 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000409227925 1073029816 /nfs/dbraw/zinc/02/98/16/1073029816.db2.gz XMNRUHXOCFHGMP-RGVLZGJSSA-N -1 0 643.288 5.213 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)o1 ZINC000409227922 1073029824 /nfs/dbraw/zinc/02/98/24/1073029824.db2.gz XKZBQUZXUNZYOH-JMIUGGIZSA-N -1 0 514.918 5.421 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409227941 1073030317 /nfs/dbraw/zinc/03/03/17/1073030317.db2.gz XUJMJZWELYUHLU-OEAKJJBVSA-N -1 0 622.074 5.528 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409227751 1073030750 /nfs/dbraw/zinc/03/07/50/1073030750.db2.gz WFDCIQFIMVYFKJ-CIAFOILYSA-N -1 0 719.916 5.435 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409237289 1073033483 /nfs/dbraw/zinc/03/34/83/1073033483.db2.gz HTSOEGZMMBRZAS-RRAHZORUSA-N -1 0 618.556 7.714 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409237033 1073033600 /nfs/dbraw/zinc/03/36/00/1073033600.db2.gz VAOSFHQOBBAFGU-FYJGNVAPSA-N -1 0 534.399 6.062 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC(C)C ZINC000409236890 1073034757 /nfs/dbraw/zinc/03/47/57/1073034757.db2.gz HWAHKHLCIADNDL-LZYBPNLTSA-N -1 0 584.863 5.270 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409236647 1073037123 /nfs/dbraw/zinc/03/71/23/1073037123.db2.gz SNLBVSXMZXUBET-IMRQLAEWSA-N -1 0 589.449 6.635 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409235789 1073042792 /nfs/dbraw/zinc/04/27/92/1073042792.db2.gz BPVSQNGNQGGVQL-USHMODERSA-N -1 0 593.630 7.661 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409235310 1073044518 /nfs/dbraw/zinc/04/45/18/1073044518.db2.gz ZOLUKUYSFSTDAP-MFKUBSTISA-N -1 0 557.075 5.888 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409235007 1073046475 /nfs/dbraw/zinc/04/64/75/1073046475.db2.gz ALYFCFRRSRKELI-CIAFOILYSA-N -1 0 512.462 6.356 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409234863 1073046812 /nfs/dbraw/zinc/04/68/12/1073046812.db2.gz NKTXERYKTQHYCP-RGVLZGJSSA-N -1 0 528.512 5.161 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409232852 1073058561 /nfs/dbraw/zinc/05/85/61/1073058561.db2.gz SNVAMQQCPLRJCB-DEDYPNTBSA-N -1 0 504.373 5.971 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1Cl ZINC000409231808 1073063740 /nfs/dbraw/zinc/06/37/40/1073063740.db2.gz KVWFPRBFCVCNJP-VEILYXNESA-N -1 0 619.102 7.513 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409231825 1073063858 /nfs/dbraw/zinc/06/38/58/1073063858.db2.gz KWTXXWAWCUGDHD-CVKSISIWSA-N -1 0 593.602 6.662 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409231401 1073065319 /nfs/dbraw/zinc/06/53/19/1073065319.db2.gz CYHIBPUCLXRQEA-MTDXEUNCSA-N -1 0 535.669 6.121 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409231356 1073065442 /nfs/dbraw/zinc/06/54/42/1073065442.db2.gz CHERTUGAAKTPDW-VEILYXNESA-N -1 0 672.526 8.424 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000409247027 1073072978 /nfs/dbraw/zinc/07/29/78/1073072978.db2.gz AULXIFXQCLWTTN-CIAFOILYSA-N -1 0 657.315 5.603 40 10 KKCBRM CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409245153 1073085640 /nfs/dbraw/zinc/08/56/40/1073085640.db2.gz OCUPGLGSCYHJCW-MFKUBSTISA-N -1 0 500.624 5.007 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409244538 1073087821 /nfs/dbraw/zinc/08/78/21/1073087821.db2.gz FDPYVUOJIKSDAZ-HMAPJEAMSA-N -1 0 518.342 5.258 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409243591 1073091691 /nfs/dbraw/zinc/09/16/91/1073091691.db2.gz TVNXMSDKKUUDHW-OEAKJJBVSA-N -1 0 500.023 6.040 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409241588 1073100685 /nfs/dbraw/zinc/10/06/85/1073100685.db2.gz OTNAHLJHMBJWDJ-MHWRWJLKSA-N -1 0 504.826 5.886 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409241328 1073102166 /nfs/dbraw/zinc/10/21/66/1073102166.db2.gz RFRQUBRAZJJGPI-XHPQRKPJSA-N -1 0 638.974 8.059 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1 ZINC000409240309 1073109349 /nfs/dbraw/zinc/10/93/49/1073109349.db2.gz GLLRSPBNTBMNGG-PCLIKHOPSA-N -1 0 515.635 5.226 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409240039 1073111367 /nfs/dbraw/zinc/11/13/67/1073111367.db2.gz OCKDAYHVWCJJSR-GIJQJNRQSA-N -1 0 563.304 6.303 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409239052 1073116912 /nfs/dbraw/zinc/11/69/12/1073116912.db2.gz FYCRUJWBNHRKKJ-IYSPOMMRSA-N -1 0 501.446 5.581 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409237924 1073122949 /nfs/dbraw/zinc/12/29/49/1073122949.db2.gz JLNRLXMQVARQNW-CIAFOILYSA-N -1 0 556.913 6.465 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409237659 1073125491 /nfs/dbraw/zinc/12/54/91/1073125491.db2.gz KPOJPGHLYMTYFI-MHWRWJLKSA-N -1 0 549.277 5.995 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1Br ZINC000409237424 1073127611 /nfs/dbraw/zinc/12/76/11/1073127611.db2.gz ULSITFCYKCKQRB-FOWTUZBSSA-N -1 0 514.832 5.341 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1Cl ZINC000409251468 1073128802 /nfs/dbraw/zinc/12/88/02/1073128802.db2.gz QJCZIGZYXWPSLX-DJKKODMXSA-N -1 0 617.283 6.057 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409251091 1073130593 /nfs/dbraw/zinc/13/05/93/1073130593.db2.gz OGKXMBXRBUEVME-JAIQZWGSSA-N -1 0 658.259 5.112 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)c2)cc1Cl ZINC000409250363 1073135438 /nfs/dbraw/zinc/13/54/38/1073135438.db2.gz KKWFDJYOJAIGGU-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409250593 1073135501 /nfs/dbraw/zinc/13/55/01/1073135501.db2.gz XLGAZMMVBYKYCM-UWVJOHFNSA-N -1 0 555.461 5.086 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1C ZINC000409249450 1073141305 /nfs/dbraw/zinc/14/13/05/1073141305.db2.gz JDXORUWTBPYDTN-AWQFTUOYSA-N -1 0 586.859 6.256 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409249363 1073142666 /nfs/dbraw/zinc/14/26/66/1073142666.db2.gz HKBLTCSMSPQFKC-DJKKODMXSA-N -1 0 586.859 6.256 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1Cl ZINC000409248753 1073146707 /nfs/dbraw/zinc/14/67/07/1073146707.db2.gz IMNUOTQDTPYPIO-USHMODERSA-N -1 0 574.105 7.604 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)[N-]C1=S ZINC000409248820 1073147070 /nfs/dbraw/zinc/14/70/70/1073147070.db2.gz RERLDPRLHZJVCQ-RVDMUPIBSA-N -1 0 501.789 5.502 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000409248670 1073147537 /nfs/dbraw/zinc/14/75/37/1073147537.db2.gz FFGBVFLDONPGPS-NTFVMDSBSA-N -1 0 733.413 7.091 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409248543 1073148858 /nfs/dbraw/zinc/14/88/58/1073148858.db2.gz HCWNTPSUUFKPIH-QQXSKIMKSA-N -1 0 526.061 6.554 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409255346 1073156640 /nfs/dbraw/zinc/15/66/40/1073156640.db2.gz HLDSMPGXSPUHOE-UFWORHAWSA-N -1 0 588.831 5.648 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000409256886 1073158678 /nfs/dbraw/zinc/15/86/78/1073158678.db2.gz NYTCFBBTPCDRKU-ODLFYWEKSA-N -1 0 675.761 6.474 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC ZINC000409256567 1073160968 /nfs/dbraw/zinc/16/09/68/1073160968.db2.gz MBMZCRVZIYDSCM-XKZIYDEJSA-N -1 0 715.395 6.310 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c(C)c1 ZINC000409256345 1073161491 /nfs/dbraw/zinc/16/14/91/1073161491.db2.gz NWWXEKMDPUDQJG-GRSHGNNSSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000409256382 1073161872 /nfs/dbraw/zinc/16/18/72/1073161872.db2.gz OPHYJOOKRBGQCG-MIXAMLLLSA-N -1 0 610.066 6.220 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409256264 1073162643 /nfs/dbraw/zinc/16/26/43/1073162643.db2.gz KNVNULPALRUWKR-ONUIUJJFSA-N -1 0 596.039 5.911 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409256259 1073162935 /nfs/dbraw/zinc/16/29/35/1073162935.db2.gz KYMXEUXVIVPXCR-SRZZPIQSSA-N -1 0 640.918 6.110 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000409255713 1073164980 /nfs/dbraw/zinc/16/49/80/1073164980.db2.gz MTVFFRNFLZKVPH-XDHOZWIPSA-N -1 0 675.863 5.036 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409255817 1073165825 /nfs/dbraw/zinc/16/58/25/1073165825.db2.gz ZTPMQFMVQSJONZ-IMRQLAEWSA-N -1 0 505.643 6.209 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409255564 1073166163 /nfs/dbraw/zinc/16/61/63/1073166163.db2.gz IAEWBSROJPKQJR-OCKHKDLRSA-N -1 0 678.677 5.457 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1C ZINC000409255706 1073166709 /nfs/dbraw/zinc/16/67/09/1073166709.db2.gz IMITYRQBQVRJFE-JAIQZWGSSA-N -1 0 641.316 5.821 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1Cl ZINC000409255488 1073167312 /nfs/dbraw/zinc/16/73/12/1073167312.db2.gz KYNSPAYMGBLFTM-UDWIEESQSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409255226 1073168707 /nfs/dbraw/zinc/16/87/07/1073168707.db2.gz KZXKFQCWKHIMRS-RGVLZGJSSA-N -1 0 612.864 5.412 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409255096 1073169060 /nfs/dbraw/zinc/16/90/60/1073169060.db2.gz ZDXZAYZRRXCJRX-CFRMEGHHSA-N -1 0 620.500 5.765 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409254622 1073171794 /nfs/dbraw/zinc/17/17/94/1073171794.db2.gz JAQMVUHDSZXEFD-UYRXBGFRSA-N -1 0 642.890 5.584 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1 ZINC000409254631 1073171837 /nfs/dbraw/zinc/17/18/37/1073171837.db2.gz ZTZCCXLLJPJCSE-HYARGMPZSA-N -1 0 592.446 5.149 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409254414 1073172284 /nfs/dbraw/zinc/17/22/84/1073172284.db2.gz XDKBICYQXZSULM-QOMWVZHYSA-N -1 0 560.078 7.296 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1 ZINC000409254283 1073173394 /nfs/dbraw/zinc/17/33/94/1073173394.db2.gz YRSCGDVROSZZDA-ODLFYWEKSA-N -1 0 633.680 5.549 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OC ZINC000409254110 1073174857 /nfs/dbraw/zinc/17/48/57/1073174857.db2.gz HREGJUBYRLVWEW-UCQKPKSFSA-N -1 0 636.101 5.837 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409253994 1073176508 /nfs/dbraw/zinc/17/65/08/1073176508.db2.gz WCRIECWJRITPDM-UUYOSTAYSA-N -1 0 747.970 6.133 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000409253599 1073180158 /nfs/dbraw/zinc/18/01/58/1073180158.db2.gz XGQFKXAXLZAJRB-YBFXNURJSA-N -1 0 631.252 5.343 40 10 KKCBRM COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1 ZINC000409253483 1073181165 /nfs/dbraw/zinc/18/11/65/1073181165.db2.gz UZNPNCWTEIEDJM-SRZZPIQSSA-N -1 0 541.551 5.039 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OCC ZINC000409251803 1073190967 /nfs/dbraw/zinc/19/09/67/1073190967.db2.gz BRMGMQBOIDEROR-JJIBRWJFSA-N -1 0 571.630 5.175 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409251746 1073192288 /nfs/dbraw/zinc/19/22/88/1073192288.db2.gz BIWJQCBNNZRDHE-ZDLGFXPLSA-N -1 0 558.805 5.639 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409267253 1073195737 /nfs/dbraw/zinc/19/57/37/1073195737.db2.gz MUEXXFPIKAOPCD-ODLFYWEKSA-N -1 0 554.455 5.459 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409262982 1073195802 /nfs/dbraw/zinc/19/58/02/1073195802.db2.gz KYBUDJQRCISCKM-ZDLGFXPLSA-N -1 0 647.707 5.857 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267257 1073196115 /nfs/dbraw/zinc/19/61/15/1073196115.db2.gz MUGMYBWCGHASTN-NDENLUEZSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409267114 1073196604 /nfs/dbraw/zinc/19/66/04/1073196604.db2.gz LYUJTCWKJQUHGK-BKUYFWCQSA-N -1 0 582.838 5.403 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3C)C2=O)cc1OCC ZINC000409267062 1073198049 /nfs/dbraw/zinc/19/80/49/1073198049.db2.gz RZEGECMUGMQZQK-HYARGMPZSA-N -1 0 715.395 6.391 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409266513 1073200211 /nfs/dbraw/zinc/20/02/11/1073200211.db2.gz XOWALUBQQORTMT-HMAPJEAMSA-N -1 0 652.498 5.329 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409266394 1073201541 /nfs/dbraw/zinc/20/15/41/1073201541.db2.gz WMQDYRPKIQDLQY-NHDPSOOVSA-N -1 0 637.443 5.057 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409266413 1073201934 /nfs/dbraw/zinc/20/19/34/1073201934.db2.gz WPBDHJKRHKLHHA-NHDPSOOVSA-N -1 0 642.492 5.792 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409266422 1073201975 /nfs/dbraw/zinc/20/19/75/1073201975.db2.gz WRQCMEXUKQXTAD-OCKHKDLRSA-N -1 0 647.309 6.065 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266417 1073201983 /nfs/dbraw/zinc/20/19/83/1073201983.db2.gz YOXQHISSCAERRA-SRZZPIQSSA-N -1 0 568.413 5.384 40 10 KKCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000008763378 1073202607 /nfs/dbraw/zinc/20/26/07/1073202607.db2.gz VAOOLCNZPJSLCU-WAGPWIPHSA-N -1 0 500.941 5.535 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409266105 1073203172 /nfs/dbraw/zinc/20/31/72/1073203172.db2.gz OQNIFGFRCBOEJH-ZVHZXABRSA-N -1 0 729.422 6.700 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OCC ZINC000409265661 1073205564 /nfs/dbraw/zinc/20/55/64/1073205564.db2.gz NKTNNUPEDSOXRF-LFVJCYFKSA-N -1 0 606.075 5.828 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409265416 1073207191 /nfs/dbraw/zinc/20/71/91/1073207191.db2.gz UUPHBWZEUZBFCG-NDENLUEZSA-N -1 0 540.428 5.151 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1 ZINC000033331402 1073207541 /nfs/dbraw/zinc/20/75/41/1073207541.db2.gz KQQFOYDOARKIDI-KQWNVCNZSA-N -1 0 501.970 5.808 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000409265453 1073207574 /nfs/dbraw/zinc/20/75/74/1073207574.db2.gz ILRGRSPUYWMIQJ-DEDYPNTBSA-N -1 0 689.890 5.426 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OCC ZINC000409264848 1073210474 /nfs/dbraw/zinc/21/04/74/1073210474.db2.gz GJILJUWSFZXGPE-RCCKNPSSSA-N -1 0 612.466 5.865 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1Cl ZINC000409264218 1073213105 /nfs/dbraw/zinc/21/31/05/1073213105.db2.gz NVCAKLLAQCXDPV-QGMBQPNBSA-N -1 0 726.603 6.620 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263925 1073215151 /nfs/dbraw/zinc/21/51/51/1073215151.db2.gz JLRRHGZCZXTPTL-WSDLNYQXSA-N -1 0 610.436 5.288 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409263846 1073216301 /nfs/dbraw/zinc/21/63/01/1073216301.db2.gz OTTOOMMCTGWWCC-BKUYFWCQSA-N -1 0 564.063 5.204 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c1 ZINC000409263571 1073217741 /nfs/dbraw/zinc/21/77/41/1073217741.db2.gz HUDLCTPLYPDZDO-PKAZHMFMSA-N -1 0 610.066 6.220 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000409263244 1073219217 /nfs/dbraw/zinc/21/92/17/1073219217.db2.gz KENLGCKAOWOBTE-YDZHTSKRSA-N -1 0 622.472 5.157 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409263036 1073219631 /nfs/dbraw/zinc/21/96/31/1073219631.db2.gz KACFQDMATGQTNJ-WOJGMQOQSA-N -1 0 724.733 5.790 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1Cl ZINC000409262732 1073219903 /nfs/dbraw/zinc/21/99/03/1073219903.db2.gz JSIFPTUNDVLCGT-RGVLZGJSSA-N -1 0 596.865 5.712 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409262812 1073220373 /nfs/dbraw/zinc/22/03/73/1073220373.db2.gz HPSAQLIILKRRNO-NDENLUEZSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000409262350 1073222315 /nfs/dbraw/zinc/22/23/15/1073222315.db2.gz GZKVHJRWGVURPW-WSDLNYQXSA-N -1 0 612.466 5.783 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c(C)c1 ZINC000409262172 1073223155 /nfs/dbraw/zinc/22/31/55/1073223155.db2.gz FUNCROZSSCMSQN-NDENLUEZSA-N -1 0 582.838 5.403 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1OC ZINC000409262258 1073223386 /nfs/dbraw/zinc/22/33/86/1073223386.db2.gz GJKYNSJTPGUXGL-HMAPJEAMSA-N -1 0 592.048 5.438 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1 ZINC000409262262 1073223495 /nfs/dbraw/zinc/22/34/95/1073223495.db2.gz GJUXFXBFMRUUKP-RGVLZGJSSA-N -1 0 568.413 5.303 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1OCC ZINC000409261982 1073225305 /nfs/dbraw/zinc/22/53/05/1073225305.db2.gz GMCRZTHROHVGDA-OEAKJJBVSA-N -1 0 727.552 5.788 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261698 1073225398 /nfs/dbraw/zinc/22/53/98/1073225398.db2.gz CWESXYIETDLCMM-GRSHGNNSSA-N -1 0 708.336 6.297 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409261829 1073225769 /nfs/dbraw/zinc/22/57/69/1073225769.db2.gz DIRBAYDVDUXYJD-JAIQZWGSSA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409261268 1073227692 /nfs/dbraw/zinc/22/76/92/1073227692.db2.gz CCXSHUBNYXDPFM-SRZZPIQSSA-N -1 0 626.891 5.802 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409261205 1073229222 /nfs/dbraw/zinc/22/92/22/1073229222.db2.gz BXBAIPLZIYLEQQ-WQRHYEAKSA-N -1 0 680.282 5.681 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409261105 1073230429 /nfs/dbraw/zinc/23/04/29/1073230429.db2.gz BEHUUPKHCRLISK-NDENLUEZSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 ZINC000409260740 1073231835 /nfs/dbraw/zinc/23/18/35/1073231835.db2.gz VPASTAQXVUARMD-ODLFYWEKSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000409260800 1073232439 /nfs/dbraw/zinc/23/24/39/1073232439.db2.gz WQGRJUABOIBTKW-UFWORHAWSA-N -1 0 696.179 6.819 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OCC ZINC000409260670 1073233432 /nfs/dbraw/zinc/23/34/32/1073233432.db2.gz UIWKWMHKZSUFHD-ZVHZXABRSA-N -1 0 680.552 5.946 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1C ZINC000409259920 1073237572 /nfs/dbraw/zinc/23/75/72/1073237572.db2.gz HRSFHSQKINJFHO-MOSHPQCFSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409259737 1073238231 /nfs/dbraw/zinc/23/82/31/1073238231.db2.gz DOBKCEMEJRXXFZ-UDWIEESQSA-N -1 0 704.315 5.445 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409259644 1073239309 /nfs/dbraw/zinc/23/93/09/1073239309.db2.gz BVVSJQSNVZWBJT-NVMNQCDNSA-N -1 0 593.250 6.293 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409259309 1073241098 /nfs/dbraw/zinc/24/10/98/1073241098.db2.gz YFCUIPRHIUJKCS-UFFVCSGVSA-N -1 0 582.440 5.611 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409259208 1073241891 /nfs/dbraw/zinc/24/18/91/1073241891.db2.gz YAXKVUDLLZQODP-LZYBPNLTSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2)cc1Cl ZINC000409259013 1073242657 /nfs/dbraw/zinc/24/26/57/1073242657.db2.gz WYXFYINEKCWUCD-CIAFOILYSA-N -1 0 568.811 5.095 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409258807 1073243132 /nfs/dbraw/zinc/24/31/32/1073243132.db2.gz VZYPNQCLDJWSDS-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409258680 1073243804 /nfs/dbraw/zinc/24/38/04/1073243804.db2.gz YRUPUAZNKAOZLF-NVNXTCNLSA-N -1 0 702.570 6.856 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409258407 1073245852 /nfs/dbraw/zinc/24/58/52/1073245852.db2.gz WYPWJLAEVJINSQ-QQXSKIMKSA-N -1 0 717.516 5.871 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409258209 1073246836 /nfs/dbraw/zinc/24/68/36/1073246836.db2.gz RXXBQELSMIYCIE-CIAFOILYSA-N -1 0 565.985 5.179 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1Cl ZINC000409258283 1073247130 /nfs/dbraw/zinc/24/71/30/1073247130.db2.gz SRPGZDNZVPUMRL-LDADJPATSA-N -1 0 589.229 5.440 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409258288 1073247208 /nfs/dbraw/zinc/24/72/08/1073247208.db2.gz VWAGJHHMSKXFMO-SRZZPIQSSA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1C ZINC000409258087 1073247572 /nfs/dbraw/zinc/24/75/72/1073247572.db2.gz RHOZYHKGRAZTTI-SRZZPIQSSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409257811 1073249580 /nfs/dbraw/zinc/24/95/80/1073249580.db2.gz VHSIPYWPVSNBPH-QQXSKIMKSA-N -1 0 719.386 6.783 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409257667 1073250585 /nfs/dbraw/zinc/25/05/85/1073250585.db2.gz UBFAOBZHIDKAOQ-WQRHYEAKSA-N -1 0 721.786 6.346 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1C ZINC000409257494 1073250899 /nfs/dbraw/zinc/25/08/99/1073250899.db2.gz RUCJPGKIYWHKRN-NHDPSOOVSA-N -1 0 566.441 5.911 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000409257518 1073251354 /nfs/dbraw/zinc/25/13/54/1073251354.db2.gz SFLQWAKWMXRCBO-BKUYFWCQSA-N -1 0 596.865 5.712 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409257410 1073252468 /nfs/dbraw/zinc/25/24/68/1073252468.db2.gz SLWDGWHUVBONPZ-SRZZPIQSSA-N -1 0 596.467 6.001 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)c(C)c1 ZINC000409272557 1073254194 /nfs/dbraw/zinc/25/41/94/1073254194.db2.gz ZXXYDDMQNLYAMM-CEUNXORHSA-N -1 0 575.621 5.566 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1 ZINC000409272462 1073255718 /nfs/dbraw/zinc/25/57/18/1073255718.db2.gz QKMMFECHVFGNQP-DJKKODMXSA-N -1 0 647.707 5.857 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409272068 1073257341 /nfs/dbraw/zinc/25/73/41/1073257341.db2.gz OGRXRLZJZRKRFJ-RGVLZGJSSA-N -1 0 704.315 5.363 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409271016 1073266803 /nfs/dbraw/zinc/26/68/03/1073266803.db2.gz JHGVQGOJAJPMOC-RGVLZGJSSA-N -1 0 657.315 5.521 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409270827 1073266830 /nfs/dbraw/zinc/26/68/30/1073266830.db2.gz ICBKTWRREZZRQH-WSDLNYQXSA-N -1 0 700.970 6.291 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409270293 1073272178 /nfs/dbraw/zinc/27/21/78/1073272178.db2.gz OYDDVLQUGGKUTQ-BKUYFWCQSA-N -1 0 564.063 5.204 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409270003 1073273808 /nfs/dbraw/zinc/27/38/08/1073273808.db2.gz NMNNBBISIJNOAE-LICLKQGHSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c1 ZINC000409269542 1073276465 /nfs/dbraw/zinc/27/64/65/1073276465.db2.gz CMLUUUKFRBKAJY-JMIUGGIZSA-N -1 0 502.331 5.871 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409269409 1073277843 /nfs/dbraw/zinc/27/78/43/1073277843.db2.gz IXMFCXXJTLDRLX-CIAFOILYSA-N -1 0 511.397 5.791 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1OCC ZINC000409268847 1073282824 /nfs/dbraw/zinc/28/28/24/1073282824.db2.gz BLTQBMIDMYBMCJ-LPYMAVHISA-N -1 0 640.520 6.482 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409268317 1073284791 /nfs/dbraw/zinc/28/47/91/1073284791.db2.gz YYNVCNYBTMYOIX-CIAFOILYSA-N -1 0 565.985 5.179 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409268388 1073285145 /nfs/dbraw/zinc/28/51/45/1073285145.db2.gz SREKXCIIVYXBKZ-XKZIYDEJSA-N -1 0 608.047 5.138 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409268235 1073285866 /nfs/dbraw/zinc/28/58/66/1073285866.db2.gz ZYMANDSUBHCURO-CIAFOILYSA-N -1 0 610.436 5.288 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409268002 1073286261 /nfs/dbraw/zinc/28/62/61/1073286261.db2.gz YOXBOIKSNABLNF-MOSHPQCFSA-N -1 0 733.943 5.825 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccccc1 ZINC000409268049 1073286661 /nfs/dbraw/zinc/28/66/61/1073286661.db2.gz XWMVSYXBQYHRIE-PXNMLYILSA-N -1 0 668.125 6.202 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409267603 1073289118 /nfs/dbraw/zinc/28/91/18/1073289118.db2.gz OMKOTBHZCYKQKB-RGVLZGJSSA-N -1 0 552.414 5.603 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267430 1073289542 /nfs/dbraw/zinc/28/95/42/1073289542.db2.gz UTFRHGSFXRITLL-UFWORHAWSA-N -1 0 694.309 5.907 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409273472 1073319375 /nfs/dbraw/zinc/31/93/75/1073319375.db2.gz YILPIDUSQYQUMR-SRZZPIQSSA-N -1 0 596.467 6.001 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1Cl ZINC000409272902 1073336553 /nfs/dbraw/zinc/33/65/53/1073336553.db2.gz UEJXOJROINFAKL-IUXPMGMMSA-N -1 0 607.277 6.601 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634665 195481305 /nfs/dbraw/zinc/48/13/05/195481305.db2.gz WGTBRQAYZPZBHM-UUYOSTAYSA-N -1 0 547.895 7.551 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408851658 195491014 /nfs/dbraw/zinc/49/10/14/195491014.db2.gz LSXATFYPJUFQOM-UDWIEESQSA-N -1 0 573.310 5.759 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408853427 195495761 /nfs/dbraw/zinc/49/57/61/195495761.db2.gz SENDQYFDMGKVOV-MHWRWJLKSA-N -1 0 596.319 7.109 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409049900 195497970 /nfs/dbraw/zinc/49/79/70/195497970.db2.gz YNXSNWGLAASZNZ-QGMBQPNBSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S ZINC000001783349 551698727 /nfs/dbraw/zinc/69/87/27/551698727.db2.gz VUUCWSLYWPGZAY-YRUATGHUSA-N -1 0 574.905 6.709 40 10 KKCBRM O=c1c(C=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000004266374 552454893 /nfs/dbraw/zinc/45/48/93/552454893.db2.gz YUQGVSYGMCNCED-GUKAZZPRSA-N -1 0 572.537 5.248 40 10 KKCBRM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000008442995 553045102 /nfs/dbraw/zinc/04/51/02/553045102.db2.gz LSSILYRJBVYFQD-NMMYMHLASA-N -1 0 510.815 7.206 40 10 KKCBRM CCOc1cc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)ccc1OCc1ccccc1Cl ZINC000008821788 553156080 /nfs/dbraw/zinc/15/60/80/553156080.db2.gz QPAPQUHNFCYHAY-UCQKPKSFSA-N -1 0 508.983 6.098 40 10 KKCBRM CCOc1cc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821796 553156084 /nfs/dbraw/zinc/15/60/84/553156084.db2.gz KUSLEXWVGCPTDR-CFRMEGHHSA-N -1 0 523.010 6.407 40 10 KKCBRM O=c1c(-c2cc(=O)c3ccccc3[nH]2)c(CSc2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000009972228 553323107 /nfs/dbraw/zinc/32/31/07/553323107.db2.gz VHWFEIPLZBMNPE-GFMRDNFCSA-N -1 0 517.035 6.723 40 10 KKCBRM Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)S1 ZINC000015223895 553529160 /nfs/dbraw/zinc/52/91/60/553529160.db2.gz HMEYYTPIHGZLKH-AUWJEWJLSA-N -1 0 502.615 5.961 40 10 KKCBRM Cc1cc([N-]S(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)nc(C)n1 ZINC000018252461 553611595 /nfs/dbraw/zinc/61/15/95/553611595.db2.gz BOGTVJIYNTVVGT-JWTBXLROSA-N -1 0 502.564 5.284 40 10 KKCBRM CC(=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000020288325 553633043 /nfs/dbraw/zinc/63/30/43/553633043.db2.gz JYNVRFXVLUIJBE-HFTWOUSFSA-N -1 0 500.627 7.409 40 10 KKCBRM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2cccc(OC)c2OC)cc1 ZINC000020289242 553634285 /nfs/dbraw/zinc/63/42/85/553634285.db2.gz DHSAQJGRFZJTAA-KQWNVCNZSA-N -1 0 500.580 5.459 40 10 KKCBRM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccccc2-c2ccccc2)cc1 ZINC000020289102 553634328 /nfs/dbraw/zinc/63/43/28/553634328.db2.gz WKZKQRQEXRKXID-RRAHZORUSA-N -1 0 516.626 7.109 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000097965008 553902224 /nfs/dbraw/zinc/90/22/24/553902224.db2.gz XKZMJUSUBARQIH-MYYYXRDXSA-N -1 0 601.453 7.095 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC(=O)c4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000097965010 553902239 /nfs/dbraw/zinc/90/22/39/553902239.db2.gz UJQUXDRUSTWEPH-WQRHYEAKSA-N -1 0 524.888 5.222 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c1C)CCCC2 ZINC000033352843 553922515 /nfs/dbraw/zinc/92/25/15/553922515.db2.gz YMSXRWWMASNKMM-XSFVSMFZSA-N -1 0 509.628 5.456 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000033644287 553965716 /nfs/dbraw/zinc/96/57/16/553965716.db2.gz FRWICELZYOLJOO-UDWIEESQSA-N -1 0 511.361 6.478 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000100199479 554246620 /nfs/dbraw/zinc/24/66/20/554246620.db2.gz SMJVDNGMWSPLIS-WKULSOCRSA-N -1 0 612.568 7.299 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100230379 554256217 /nfs/dbraw/zinc/25/62/17/554256217.db2.gz HNHCQGZCEZBBTN-NDENLUEZSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100230441 554256381 /nfs/dbraw/zinc/25/63/81/554256381.db2.gz GDAUDYJKYXOGED-UDWIEESQSA-N -1 0 616.331 6.021 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230467 554256461 /nfs/dbraw/zinc/25/64/61/554256461.db2.gz KQARBXDOWVMQFM-GRSHGNNSSA-N -1 0 606.325 6.565 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)c(Br)c(Br)c1OCC ZINC000100230607 554256478 /nfs/dbraw/zinc/25/64/78/554256478.db2.gz KPYVEEHHHDIXKP-MHWRWJLKSA-N -1 0 552.219 5.513 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000100241249 554260199 /nfs/dbraw/zinc/26/01/99/554260199.db2.gz MBOGOMPBWYHMFY-XKZIYDEJSA-N -1 0 610.417 5.400 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000100241228 554260225 /nfs/dbraw/zinc/26/02/25/554260225.db2.gz HXBOZWMBNUXZFS-BKUYFWCQSA-N -1 0 599.865 6.145 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100311357 554301013 /nfs/dbraw/zinc/30/10/13/554301013.db2.gz NDHNSRLUVLANSR-VXLYETTFSA-N -1 0 531.779 5.901 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OCC ZINC000100341273 554325744 /nfs/dbraw/zinc/32/57/44/554325744.db2.gz VOOWZWWHRSIJDP-LFIBNONCSA-N -1 0 527.487 5.244 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)c1 ZINC000058849409 554368877 /nfs/dbraw/zinc/36/88/77/554368877.db2.gz AAEWBFHWFABQRR-GTNJKRJXSA-N -1 0 522.623 5.348 40 10 KKCBRM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849665 554368958 /nfs/dbraw/zinc/36/89/58/554368958.db2.gz RFOMOJGYIXJQIZ-OREGWCPLSA-N -1 0 511.043 6.375 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058849688 554369005 /nfs/dbraw/zinc/36/90/05/554369005.db2.gz CGPMTZBTEFZTNC-SXDGJLEOSA-N -1 0 525.070 6.763 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058849679 554369126 /nfs/dbraw/zinc/36/91/26/554369126.db2.gz IFIRXKKWKPSSMA-WZOHSFFVSA-N -1 0 511.987 5.884 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1 ZINC000058850318 554369815 /nfs/dbraw/zinc/36/98/15/554369815.db2.gz CUZJKSBHNITZQO-DFXHWTJYSA-N -1 0 515.006 6.124 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000059104079 554379519 /nfs/dbraw/zinc/37/95/19/554379519.db2.gz SIUKQUODRMFZMJ-AFUMVMLFSA-N -1 0 515.525 6.078 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000059136270 554382350 /nfs/dbraw/zinc/38/23/50/554382350.db2.gz IAORLFVRFANQPO-XSFVSMFZSA-N -1 0 503.986 6.462 40 10 KKCBRM Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)o2)cc1 ZINC000059137953 554382476 /nfs/dbraw/zinc/38/24/76/554382476.db2.gz GWMXPOIBDLQURF-LDADJPATSA-N -1 0 513.438 6.482 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4[O-])o3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139077 554382816 /nfs/dbraw/zinc/38/28/16/554382816.db2.gz RESAXNTZCQZNNF-XQNSMLJCSA-N -1 0 509.474 5.452 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000059198305 554384655 /nfs/dbraw/zinc/38/46/55/554384655.db2.gz NQNOKLKJYDLTLQ-YBEGLDIGSA-N -1 0 506.139 6.523 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000059198544 554385095 /nfs/dbraw/zinc/38/50/95/554385095.db2.gz QVTBJRKISVZIFF-RGVLZGJSSA-N -1 0 514.832 6.182 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000059426680 554395254 /nfs/dbraw/zinc/39/52/54/554395254.db2.gz QDDFIOXBWRGJNW-RGVLZGJSSA-N -1 0 501.753 5.892 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000100475579 554400683 /nfs/dbraw/zinc/40/06/83/554400683.db2.gz VQUFRMIAGAAJBQ-MHWRWJLKSA-N -1 0 532.759 5.102 40 10 KKCBRM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000059860895 554456276 /nfs/dbraw/zinc/45/62/76/554456276.db2.gz WQOKSPDGBSTMHL-ZMOGYAJESA-N -1 0 500.595 6.068 40 10 KKCBRM CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c([O-])n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000100947798 554536207 /nfs/dbraw/zinc/53/62/07/554536207.db2.gz AWMWPIPOVUWUCU-ZCTHSVRISA-N -1 0 614.771 7.337 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1F ZINC000101396446 554758085 /nfs/dbraw/zinc/75/80/85/554758085.db2.gz LIWCKHBXPHMGOA-DEDYPNTBSA-N -1 0 539.357 5.232 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000101482983 554784766 /nfs/dbraw/zinc/78/47/66/554784766.db2.gz NOYLVOPBMWBDMM-YBFXNURJSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103790032 555479624 /nfs/dbraw/zinc/47/96/24/555479624.db2.gz WBEWSLATZSIXQW-HRIDGTDGSA-N -1 0 583.710 5.027 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103792452 555481564 /nfs/dbraw/zinc/48/15/64/555481564.db2.gz ORXIPOKIPZPCIB-NLRVBDNBSA-N -1 0 594.762 6.426 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000103814314 555482293 /nfs/dbraw/zinc/48/22/93/555482293.db2.gz RAFFWSFMJNDSRV-WKULSOCRSA-N -1 0 580.656 6.548 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC ZINC000103814783 555482356 /nfs/dbraw/zinc/48/23/56/555482356.db2.gz RPGQSSHPMGVMKI-WYMPLXKRSA-N -1 0 593.518 6.381 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000103814630 555482362 /nfs/dbraw/zinc/48/23/62/555482362.db2.gz 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40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000208326007 571573743 /nfs/dbraw/zinc/57/37/43/571573743.db2.gz JYTDDEZLOBEBAG-GYZOOYGHSA-N -1 0 516.494 6.245 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000208328876 571573873 /nfs/dbraw/zinc/57/38/73/571573873.db2.gz JOAAQXBZKPOQRG-GYZOOYGHSA-N -1 0 500.426 6.080 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C1=O)C(C)=CC(C)(C)N2C ZINC000208450992 571574444 /nfs/dbraw/zinc/57/44/44/571574444.db2.gz KQHHEIYBEYFKSZ-GZTJUZNOSA-N -1 0 500.451 5.765 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208475667 571574470 /nfs/dbraw/zinc/57/44/70/571574470.db2.gz PNQDEGAZKBYGKP-VCHYOVAHSA-N -1 0 528.834 5.709 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2C(C)=CC1(C)C ZINC000208513674 571574669 /nfs/dbraw/zinc/57/46/69/571574669.db2.gz LFAQOAVCYOFXLO-DEDYPNTBSA-N -1 0 508.416 5.446 40 10 KKCBRM COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000224572775 571577618 /nfs/dbraw/zinc/57/76/18/571577618.db2.gz WPBZSZREMMGHFB-RRPNLBNLSA-N -1 0 512.635 5.681 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000214878267 571581651 /nfs/dbraw/zinc/58/16/51/571581651.db2.gz JZDXLGFKEZJBDV-DJKKODMXSA-N -1 0 508.766 6.842 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224672765 571600151 /nfs/dbraw/zinc/60/01/51/571600151.db2.gz ZXCQMXZVPWCBHJ-ACHIHNKUSA-N -1 0 574.706 7.465 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224055343 571603142 /nfs/dbraw/zinc/60/31/42/571603142.db2.gz YQMXGSRDQSCPMO-IZLXSDGUSA-N -1 0 577.106 6.043 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224059479 571604220 /nfs/dbraw/zinc/60/42/20/571604220.db2.gz DZCZPNUTRHCCFH-FQLXRVMXSA-N -1 0 591.133 6.351 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224707319 571607185 /nfs/dbraw/zinc/60/71/85/571607185.db2.gz DVKWRZXHRJYRRL-AJQTZOPKSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224094271 571609095 /nfs/dbraw/zinc/60/90/95/571609095.db2.gz HAYNYJDFGMBNIC-URLMMPGGSA-N -1 0 567.715 6.267 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224094326 571609153 /nfs/dbraw/zinc/60/91/53/571609153.db2.gz HAYNYJDFGMBNIC-VMPREFPWSA-N -1 0 567.715 6.267 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224901119 571628229 /nfs/dbraw/zinc/62/82/29/571628229.db2.gz GSGFIASQVVAUIQ-IZZNHLLZSA-N -1 0 500.599 5.812 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224960217 571634001 /nfs/dbraw/zinc/63/40/01/571634001.db2.gz SQWPIWIDBXYWTL-IZZNHLLZSA-N -1 0 533.053 6.026 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225132452 571650381 /nfs/dbraw/zinc/65/03/81/571650381.db2.gz BLJMPEJRAXPVDN-VSGBNLITSA-N -1 0 588.133 6.612 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000225244474 571661976 /nfs/dbraw/zinc/66/19/76/571661976.db2.gz BULOUJCINNCAMP-VSGBNLITSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225270589 571664964 /nfs/dbraw/zinc/66/49/64/571664964.db2.gz LEBABCCYOVQAJT-URLMMPGGSA-N -1 0 569.687 5.258 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225458221 571829935 /nfs/dbraw/zinc/82/99/35/571829935.db2.gz GVAJMLDSEZQGMG-IZLXSDGUSA-N -1 0 589.743 5.353 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484159 571854783 /nfs/dbraw/zinc/85/47/83/571854783.db2.gz ACOCMVFRYPTQSK-VSGBNLITSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000260925662 571865082 /nfs/dbraw/zinc/86/50/82/571865082.db2.gz WMDZCIQKAIDIKB-BJUYILBYSA-N -1 0 628.242 7.809 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225529787 571896837 /nfs/dbraw/zinc/89/68/37/571896837.db2.gz NJZOEHYQZCLMKS-IZLXSDGUSA-N -1 0 539.661 5.189 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225550974 571913661 /nfs/dbraw/zinc/91/36/61/571913661.db2.gz FEOCSZRTYVKCCI-KYJUHHDHSA-N -1 0 567.715 5.751 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225572278 571933583 /nfs/dbraw/zinc/93/35/83/571933583.db2.gz PPXUPKRVWAURII-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225592807 571948479 /nfs/dbraw/zinc/94/84/79/571948479.db2.gz BSUKIICAOPLKIW-WUFINQPMSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225592704 571948553 /nfs/dbraw/zinc/94/85/53/571948553.db2.gz XEALMMUHBLJASM-NSOVKSMOSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225592949 571948813 /nfs/dbraw/zinc/94/88/13/571948813.db2.gz NUAOOEKOQMRPOP-WUFINQPMSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225613049 571964799 /nfs/dbraw/zinc/96/47/99/571964799.db2.gz PLIBFCWDBNUSAK-VSGBNLITSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225631132 571983260 /nfs/dbraw/zinc/98/32/60/571983260.db2.gz SKIYYVXNOFXZSG-XZWHSSHBSA-N -1 0 567.715 5.805 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225670081 572011554 /nfs/dbraw/zinc/01/15/54/572011554.db2.gz WUZUKICGNZRPNU-XZWHSSHBSA-N -1 0 583.714 5.506 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225687128 572023700 /nfs/dbraw/zinc/02/37/00/572023700.db2.gz UWQKCYJXYVWBSD-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225688884 572024774 /nfs/dbraw/zinc/02/47/74/572024774.db2.gz VWIYHTWOEPRQBM-IHLOFXLRSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3c(C)cc(Br)cc3C)C2=O)c(C)cc1Br ZINC000408531690 572177015 /nfs/dbraw/zinc/17/70/15/572177015.db2.gz LEGZSENDOGMJMI-OQLLNIDSSA-N -1 0 521.209 5.024 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1 ZINC000408528771 572165420 /nfs/dbraw/zinc/16/54/20/572165420.db2.gz BWHHAIVQWIMRDF-UNOMPAQXSA-N -1 0 649.089 5.860 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)C2=O)c1 ZINC000408528746 572165667 /nfs/dbraw/zinc/16/56/67/572165667.db2.gz BUWYUCQVQKZKGJ-JAIQZWGSSA-N -1 0 614.246 5.414 40 10 KKCBRM CCc1cc(Br)cc([N+](=O)[O-])c1N=Cc1c(C)[n-]n(-c2ccc(Br)c(C)c2)c1=O ZINC000408528935 572165961 /nfs/dbraw/zinc/16/59/61/572165961.db2.gz GJCYHYLZXNILSI-YBEGLDIGSA-N -1 0 522.197 5.709 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408529725 572169324 /nfs/dbraw/zinc/16/93/24/572169324.db2.gz CYYLGEHUPKQSHH-XDHOZWIPSA-N -1 0 600.219 5.106 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408529789 572169468 /nfs/dbraw/zinc/16/94/68/572169468.db2.gz DDTWKUXNECJOLJ-ZMLBWKPJSA-N -1 0 569.770 5.527 40 10 KKCBRM COc1cc([N+](=O)[O-])c(Cl)cc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408530104 572170940 /nfs/dbraw/zinc/17/09/40/572170940.db2.gz IRUXTDAKKPGKSI-QGOAFFKASA-N -1 0 629.895 6.066 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408531253 572175122 /nfs/dbraw/zinc/17/51/22/572175122.db2.gz GOFKOECVPYNMPU-DEDYPNTBSA-N -1 0 614.246 5.496 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408532073 572178626 /nfs/dbraw/zinc/17/86/26/572178626.db2.gz HZWHWZQVQDWINU-NSFNGMEESA-N -1 0 641.228 5.405 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408533208 572182731 /nfs/dbraw/zinc/18/27/31/572182731.db2.gz JPLRHAGHXPFFGC-RGVLZGJSSA-N -1 0 555.370 5.286 40 10 KKCBRM CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)sc2c1 ZINC000408533515 572183543 /nfs/dbraw/zinc/18/35/43/572183543.db2.gz SUTZXYLMQLCEGU-RCCKNPSSSA-N -1 0 621.557 6.504 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408534090 572185252 /nfs/dbraw/zinc/18/52/52/572185252.db2.gz LFSQRPWOAWAGFL-CAAGMPDOSA-N -1 0 595.486 5.298 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408534024 572185362 /nfs/dbraw/zinc/18/53/62/572185362.db2.gz KUJGVFFNRMXUTK-DEDYPNTBSA-N -1 0 661.246 5.338 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2cccc(C)c2)C1=O ZINC000408534560 572185979 /nfs/dbraw/zinc/18/59/79/572185979.db2.gz MIRHGKJWDGZKHJ-PDGQHHTCSA-N -1 0 614.246 5.414 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408535270 572188324 /nfs/dbraw/zinc/18/83/24/572188324.db2.gz NJAZJEMSEBJZDQ-VXLYETTFSA-N -1 0 593.341 6.297 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408535287 572188356 /nfs/dbraw/zinc/18/83/56/572188356.db2.gz NKXLNQNLYDZTPC-KPLVBVSQSA-N -1 0 606.385 5.041 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000408535466 572188650 /nfs/dbraw/zinc/18/86/50/572188650.db2.gz YKZHTJNRPQBERF-DHDCSXOGSA-N -1 0 523.243 6.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408535746 572189255 /nfs/dbraw/zinc/18/92/55/572189255.db2.gz OQFLJEVFXYGMRZ-MLUQCUIJSA-N -1 0 551.382 5.677 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)C2=O)c1 ZINC000408535952 572189661 /nfs/dbraw/zinc/18/96/61/572189661.db2.gz PEPKHEXGHWTEKT-NDENLUEZSA-N -1 0 600.219 5.106 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000408535965 572189844 /nfs/dbraw/zinc/18/98/44/572189844.db2.gz UVULGHXSYQKTLW-CPNJWEJPSA-N -1 0 610.421 5.312 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1 ZINC000408536761 572192089 /nfs/dbraw/zinc/19/20/89/572192089.db2.gz AXXLYMTZHKFDIB-VUTHCHCSSA-N -1 0 622.674 6.317 40 10 KKCBRM CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1 ZINC000408536743 572192302 /nfs/dbraw/zinc/19/23/02/572192302.db2.gz XRNQZAGOCOPNGK-XIEYBQDHSA-N -1 0 619.560 5.978 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)C2=O)c1 ZINC000408537008 572193205 /nfs/dbraw/zinc/19/32/05/572193205.db2.gz UINAEXPYBXAINC-ODLFYWEKSA-N -1 0 663.116 6.168 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537112 572193301 /nfs/dbraw/zinc/19/33/01/572193301.db2.gz CEBLREUVJIUUAA-WGARJPEWSA-N -1 0 702.514 6.589 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408537215 572193786 /nfs/dbraw/zinc/19/37/86/572193786.db2.gz DBLHBYXAAJRWIJ-WPWMEQJKSA-N -1 0 594.620 5.537 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408537308 572194173 /nfs/dbraw/zinc/19/41/73/572194173.db2.gz VDSCLZMLOMZQMW-KGENOOAVSA-N -1 0 549.377 5.042 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408537417 572194298 /nfs/dbraw/zinc/19/42/98/572194298.db2.gz DVSCZCKXHDJIEV-NHYZDEDTSA-N -1 0 654.719 7.489 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537427 572194396 /nfs/dbraw/zinc/19/43/96/572194396.db2.gz FAIISQDIKJQXDV-ONUIUJJFSA-N -1 0 658.461 6.190 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537602 572194798 /nfs/dbraw/zinc/19/47/98/572194798.db2.gz GEPGPGXOGPAYJT-YSMPRRRNSA-N -1 0 764.423 7.221 40 10 KKCBRM COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000408537527 572194964 /nfs/dbraw/zinc/19/49/64/572194964.db2.gz VYXFXCUWCQZASL-NVMNQCDNSA-N -1 0 694.716 5.776 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537686 572195641 /nfs/dbraw/zinc/19/56/41/572195641.db2.gz GUYBQMRXUUJKGO-PKAZHMFMSA-N -1 0 594.620 5.624 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408537618 572195706 /nfs/dbraw/zinc/19/57/06/572195706.db2.gz GJLMLZDFRIBKMQ-XYGWBWBKSA-N -1 0 651.930 7.870 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccco1 ZINC000408537740 572195741 /nfs/dbraw/zinc/19/57/41/572195741.db2.gz WXBMHLWVRVIJSC-DHDCSXOGSA-N -1 0 686.050 5.295 40 10 KKCBRM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000408537669 572195788 /nfs/dbraw/zinc/19/57/88/572195788.db2.gz GSSIBVJFNAEDPO-IWIPYMOSSA-N -1 0 549.469 6.852 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)C1=O ZINC000408537782 572196046 /nfs/dbraw/zinc/19/60/46/572196046.db2.gz XEWKVKQTUCDOFK-UYRXBGFRSA-N -1 0 539.769 5.297 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccco1 ZINC000408537771 572196159 /nfs/dbraw/zinc/19/61/59/572196159.db2.gz XDTLKIULCROUKW-NVNXTCNLSA-N -1 0 628.151 5.709 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000408537827 572196251 /nfs/dbraw/zinc/19/62/51/572196251.db2.gz HKWYYYKNGFYUGV-PDGQHHTCSA-N -1 0 519.381 5.406 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408537918 572196383 /nfs/dbraw/zinc/19/63/83/572196383.db2.gz IAROWHKQHFLILP-XMHGGMMESA-N -1 0 550.247 5.837 40 10 KKCBRM Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408537886 572196387 /nfs/dbraw/zinc/19/63/87/572196387.db2.gz XYGUROBOFDYHEP-MOSHPQCFSA-N -1 0 631.220 5.248 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000408537937 572196450 /nfs/dbraw/zinc/19/64/50/572196450.db2.gz IHCSIWHGCUYJBS-HMMYKYKNSA-N -1 0 501.377 5.083 40 10 KKCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1 ZINC000408538025 572196476 /nfs/dbraw/zinc/19/64/76/572196476.db2.gz YNVUTYSQSQIIMT-UYRXBGFRSA-N -1 0 570.193 5.097 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538125 572196820 /nfs/dbraw/zinc/19/68/20/572196820.db2.gz JMOHHWOMYFBDSV-IMRQLAEWSA-N -1 0 628.037 6.471 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 ZINC000408538140 572196826 /nfs/dbraw/zinc/19/68/26/572196826.db2.gz JRUBLTJZUJYODM-PKAZHMFMSA-N -1 0 672.488 6.580 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538090 572196889 /nfs/dbraw/zinc/19/68/89/572196889.db2.gz IYASVWZOKZJSAN-CFRMEGHHSA-N -1 0 648.455 6.735 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538336 572198072 /nfs/dbraw/zinc/19/80/72/572198072.db2.gz LFTGCSSJVCYNCR-VULFUBBASA-N -1 0 661.538 7.534 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538573 572198652 /nfs/dbraw/zinc/19/86/52/572198652.db2.gz OWAAQKSRCHQZRM-BRPDVVIDSA-N -1 0 576.649 6.527 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538584 572198825 /nfs/dbraw/zinc/19/88/25/572198825.db2.gz OXUJVXCFCHCCGS-CVKSISIWSA-N -1 0 631.056 6.711 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538592 572199106 /nfs/dbraw/zinc/19/91/06/572199106.db2.gz OZQFHJJEBALAER-NTFVMDSBSA-N -1 0 685.571 7.298 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538813 572199491 /nfs/dbraw/zinc/19/94/91/572199491.db2.gz CAJJPXRWPNLCJV-OYKKKHCWSA-N -1 0 691.962 7.253 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538782 572199545 /nfs/dbraw/zinc/19/95/45/572199545.db2.gz QSVSKIBDBXRABS-AFUMVMLFSA-N -1 0 635.475 7.356 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538744 572199571 /nfs/dbraw/zinc/19/95/71/572199571.db2.gz QBYOKFHBGKJFPB-YSMPRRRNSA-N -1 0 691.962 7.334 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408539026 572200498 /nfs/dbraw/zinc/20/04/98/572200498.db2.gz DPOUGUGAGMKMAB-RGEXLXHISA-N -1 0 515.404 5.473 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539188 572200942 /nfs/dbraw/zinc/20/09/42/572200942.db2.gz FJRDDLKOZASYHN-MYYYXRDXSA-N -1 0 722.455 7.600 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539154 572201126 /nfs/dbraw/zinc/20/11/26/572201126.db2.gz UHUHJFZNHXBUFH-CEUNXORHSA-N -1 0 611.094 7.180 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539153 572201226 /nfs/dbraw/zinc/20/12/26/572201226.db2.gz UHQHFGDCWVCECQ-YSMPRRRNSA-N -1 0 691.962 7.334 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539362 572202097 /nfs/dbraw/zinc/20/20/97/572202097.db2.gz VYAVKKKPPLFCOA-YSMPRRRNSA-N -1 0 673.516 6.386 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539554 572202526 /nfs/dbraw/zinc/20/25/26/572202526.db2.gz XIKZOAWUZWZIFI-YUMHPJSZSA-N -1 0 705.989 7.724 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408539534 572202554 /nfs/dbraw/zinc/20/25/54/572202554.db2.gz XCEHDRHQXXYHQC-PKAZHMFMSA-N -1 0 622.630 5.315 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539686 572202769 /nfs/dbraw/zinc/20/27/69/572202769.db2.gz YAGLVENSKQGMLZ-WGOQTCKBSA-N -1 0 617.485 7.135 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539651 572202804 /nfs/dbraw/zinc/20/28/04/572202804.db2.gz JCIMZHHSOFXKNP-OYKKKHCWSA-N -1 0 692.360 7.045 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539853 572203766 /nfs/dbraw/zinc/20/37/66/572203766.db2.gz ZMYZOHXVEXKEQW-UHFFFAOYSA-N -1 0 595.446 5.154 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540138 572204582 /nfs/dbraw/zinc/20/45/82/572204582.db2.gz NNTVSLACNBOVGZ-PKAZHMFMSA-N -1 0 643.161 7.127 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(Br)c3)C2=O)cc1OC ZINC000408540347 572205324 /nfs/dbraw/zinc/20/53/24/572205324.db2.gz QNIXCPOZQOCWIU-YUMHPJSZSA-N -1 0 794.493 8.232 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408540420 572205764 /nfs/dbraw/zinc/20/57/64/572205764.db2.gz RNOXQHLASSGMRD-AQTBWJFISA-N -1 0 517.445 5.248 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(Cl)c3)C2=O)cc1OCC ZINC000408540700 572206527 /nfs/dbraw/zinc/20/65/27/572206527.db2.gz VEXKAGOXVOADLF-OGLMXYFKSA-N -1 0 719.618 8.404 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541047 572207412 /nfs/dbraw/zinc/20/74/12/572207412.db2.gz DIVUTHOEOVETAP-NLRVBDNBSA-N -1 0 583.710 5.348 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543185 572212318 /nfs/dbraw/zinc/21/23/18/572212318.db2.gz PXYFQEMHHMLBBJ-KOEQRZSOSA-N -1 0 590.101 5.385 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543648 572213358 /nfs/dbraw/zinc/21/33/58/572213358.db2.gz RVYKSURJHQIZLO-CJLVFECKSA-N -1 0 624.546 6.038 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408550405 572234318 /nfs/dbraw/zinc/23/43/18/572234318.db2.gz DLFJZZFVYVBYRT-RGVLZGJSSA-N -1 0 632.884 6.128 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550637 572234588 /nfs/dbraw/zinc/23/45/88/572234588.db2.gz FXMNHTSZLNCLHT-OCKHKDLRSA-N -1 0 694.309 5.907 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551039 572235304 /nfs/dbraw/zinc/23/53/04/572235304.db2.gz JDTGECYLMGCGNG-MFOYZWKCSA-N -1 0 574.804 5.339 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551053 572235478 /nfs/dbraw/zinc/23/54/78/572235478.db2.gz JENRNPWQTKLXMX-QFEZKATASA-N -1 0 739.406 7.418 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1C ZINC000408551499 572236263 /nfs/dbraw/zinc/23/62/63/572236263.db2.gz DEPBCCVRWNXGHC-GRSHGNNSSA-N -1 0 572.832 5.948 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408552496 572238743 /nfs/dbraw/zinc/23/87/43/572238743.db2.gz IZASVURRSFUCFZ-OYKKKHCWSA-N -1 0 650.902 6.910 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408552613 572238974 /nfs/dbraw/zinc/23/89/74/572238974.db2.gz RMZPMFUETYNDDX-IUXPMGMMSA-N -1 0 726.161 5.989 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1 ZINC000408552999 572239623 /nfs/dbraw/zinc/23/96/23/572239623.db2.gz UCNHFQCAEIBEDF-FYJGNVAPSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1=O ZINC000408553309 572240135 /nfs/dbraw/zinc/24/01/35/572240135.db2.gz UXATWDJSYYYWJP-VXLYETTFSA-N -1 0 558.805 5.639 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000408553368 572240216 /nfs/dbraw/zinc/24/02/16/572240216.db2.gz VMVWJJZKMKAXRO-JAIQZWGSSA-N -1 0 768.388 6.478 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408553294 572240289 /nfs/dbraw/zinc/24/02/89/572240289.db2.gz NOAWGVPPSMPDAT-MOSHPQCFSA-N -1 0 598.439 5.475 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408553465 572240625 /nfs/dbraw/zinc/24/06/25/572240625.db2.gz WQHFEHHZTXSANM-GIJQJNRQSA-N -1 0 623.276 6.383 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553481 572240706 /nfs/dbraw/zinc/24/07/06/572240706.db2.gz WTCZJXPIVFWLSX-ZDLGFXPLSA-N -1 0 588.831 5.729 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554166 572241784 /nfs/dbraw/zinc/24/17/84/572241784.db2.gz ZWESKGSSGYLIGN-MFOYZWKCSA-N -1 0 682.323 5.455 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000408554724 572242101 /nfs/dbraw/zinc/24/21/01/572242101.db2.gz UHYBQLCUNJXKLH-ODLFYWEKSA-N -1 0 677.335 6.237 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408600549 572272487 /nfs/dbraw/zinc/27/24/87/572272487.db2.gz CWXFJEDKAOEJTP-ZROIWOOFSA-N -1 0 506.685 5.481 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S)c1cccs1 ZINC000408605951 572274777 /nfs/dbraw/zinc/27/47/77/572274777.db2.gz ZLZJDUFXLJBRLS-ODLFYWEKSA-N -1 0 505.017 5.666 40 10 KKCBRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408626709 572284125 /nfs/dbraw/zinc/28/41/25/572284125.db2.gz VZFYLEOFELEQSM-UHFFFAOYSA-N -1 0 572.992 6.951 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631111 572287000 /nfs/dbraw/zinc/28/70/00/572287000.db2.gz CCMMGULXCAMRJV-IWIPYMOSSA-N -1 0 504.612 5.608 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1 ZINC000408631930 572288198 /nfs/dbraw/zinc/28/81/98/572288198.db2.gz NIEZYNMCLHTZHY-UDWIEESQSA-N -1 0 515.979 5.250 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(N(C)C)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000408632277 572288585 /nfs/dbraw/zinc/28/85/85/572288585.db2.gz PODITKCEFJYZGA-MFOYZWKCSA-N -1 0 509.813 5.180 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)[O-])o2)c1 ZINC000408633021 572289573 /nfs/dbraw/zinc/28/95/73/572289573.db2.gz LBKDVXJNLDLWBJ-YVNNLAQVSA-N -1 0 546.432 6.686 40 10 KKCBRM Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000408634962 572292061 /nfs/dbraw/zinc/29/20/61/572292061.db2.gz VVWMEBJRJWIDCH-NDENLUEZSA-N -1 0 576.847 6.355 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408766334 1069738486 /nfs/dbraw/zinc/73/84/86/1069738486.db2.gz BYSLQPNPRBPKSA-JLHYYAGUSA-N -1 0 515.403 5.445 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000408774302 1069739174 /nfs/dbraw/zinc/73/91/74/1069739174.db2.gz UOOLKLMAGNYJCZ-HZHRSRAPSA-N -1 0 594.918 6.824 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000408770990 1069739264 /nfs/dbraw/zinc/73/92/64/1069739264.db2.gz DACQAKNWEXOFLB-RQZCQDPDSA-N -1 0 608.645 6.250 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408811908 1069742636 /nfs/dbraw/zinc/74/26/36/1069742636.db2.gz MEXYFJZKZJGEDJ-OEAKJJBVSA-N -1 0 512.949 5.747 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408819086 1069743348 /nfs/dbraw/zinc/74/33/48/1069743348.db2.gz ZUTNIHAYYVBQIX-YDZHTSKRSA-N -1 0 577.475 6.327 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408821408 1069744157 /nfs/dbraw/zinc/74/41/57/1069744157.db2.gz HANXRVBDYHVPSD-MFKUBSTISA-N -1 0 607.877 7.471 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408895720 1069751219 /nfs/dbraw/zinc/75/12/19/1069751219.db2.gz FIQBKCCRTANIKR-UCQKPKSFSA-N -1 0 624.444 5.790 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408897889 1069751820 /nfs/dbraw/zinc/75/18/20/1069751820.db2.gz JLKVKMBYUDLTNH-HMAPJEAMSA-N -1 0 660.892 6.378 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408901889 1069751887 /nfs/dbraw/zinc/75/18/87/1069751887.db2.gz ILQSQPSVCAINKV-FYJGNVAPSA-N -1 0 526.433 6.132 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408897190 1069751976 /nfs/dbraw/zinc/75/19/76/1069751976.db2.gz QNSQFQIPPPDMNX-CPNJWEJPSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408876435 1069748804 /nfs/dbraw/zinc/74/88/04/1069748804.db2.gz PCPXGQBSDHDOQZ-RGVLZGJSSA-N -1 0 621.258 6.254 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408888957 1069750432 /nfs/dbraw/zinc/75/04/32/1069750432.db2.gz DAEZRIHFODCYEH-CXUHLZMHSA-N -1 0 580.649 6.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408935674 1069759160 /nfs/dbraw/zinc/75/91/60/1069759160.db2.gz ILSNJRIMSWRWBE-YBFXNURJSA-N -1 0 647.809 5.497 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408954036 1069762432 /nfs/dbraw/zinc/76/24/32/1069762432.db2.gz RAGLZZHSQAHGNS-UBKPWBPPSA-N -1 0 575.788 5.630 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408983140 1069766889 /nfs/dbraw/zinc/76/68/89/1069766889.db2.gz KWKPMEOQYQTHLS-JMIUGGIZSA-N -1 0 614.836 5.963 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000409041113 1069770214 /nfs/dbraw/zinc/77/02/14/1069770214.db2.gz IJWHFXCSJYNNBH-OEAKJJBVSA-N -1 0 562.420 5.058 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409088627 1069773066 /nfs/dbraw/zinc/77/30/66/1069773066.db2.gz GOJLHDWGEQLYMV-WSDLNYQXSA-N -1 0 672.399 7.958 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409134583 1069785838 /nfs/dbraw/zinc/78/58/38/1069785838.db2.gz SGOAEZXMAYRJSF-LPYMAVHISA-N -1 0 641.490 6.025 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409138322 1069788669 /nfs/dbraw/zinc/78/86/69/1069788669.db2.gz ZWGIPEPWKYGOOC-MTDXEUNCSA-N -1 0 535.669 6.121 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c1C ZINC000408771678 1069871856 /nfs/dbraw/zinc/87/18/56/1069871856.db2.gz AKOXOBRPZGNJPZ-LICLKQGHSA-N -1 0 575.952 6.507 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000408771308 1069870794 /nfs/dbraw/zinc/87/07/94/1069870794.db2.gz FLICIBIEBILDSU-MUFRIFMGSA-N -1 0 519.645 6.228 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408769397 1069876233 /nfs/dbraw/zinc/87/62/33/1069876233.db2.gz SWFBKBFAIXTEMQ-ZVHZXABRSA-N -1 0 660.437 6.440 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408772758 1069885328 /nfs/dbraw/zinc/88/53/28/1069885328.db2.gz MYCZDOBNPKNXPL-JVWAILMASA-N -1 0 620.956 6.920 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408773636 1069887447 /nfs/dbraw/zinc/88/74/47/1069887447.db2.gz SJBNQUFXXUBUAV-YBFXNURJSA-N -1 0 604.284 6.708 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408774495 1069890218 /nfs/dbraw/zinc/89/02/18/1069890218.db2.gz OTJBGCHFHSNPOG-LZYBPNLTSA-N -1 0 591.831 5.918 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408775133 1069891831 /nfs/dbraw/zinc/89/18/31/1069891831.db2.gz ZGDRHAPALOONRZ-YBFXNURJSA-N -1 0 590.257 6.400 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408775551 1069893540 /nfs/dbraw/zinc/89/35/40/1069893540.db2.gz IGNZYWSBXRXMAU-WPWMEQJKSA-N -1 0 523.564 5.787 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408775760 1069893577 /nfs/dbraw/zinc/89/35/77/1069893577.db2.gz USTSKBPDGSNGLZ-GIJQJNRQSA-N -1 0 671.702 6.896 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408777885 1069896426 /nfs/dbraw/zinc/89/64/26/1069896426.db2.gz KZIOTLONHIDFME-WKULSOCRSA-N -1 0 612.568 7.299 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000408777462 1069894562 /nfs/dbraw/zinc/89/45/62/1069894562.db2.gz ZXLAUWSQXQYQBI-XDHOZWIPSA-N -1 0 511.412 5.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408777416 1069894672 /nfs/dbraw/zinc/89/46/72/1069894672.db2.gz YODRSLDCYVFVPU-LPYMAVHISA-N -1 0 504.970 5.601 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408778465 1069897737 /nfs/dbraw/zinc/89/77/37/1069897737.db2.gz UWKFEIIJVUGTOP-LPYMAVHISA-N -1 0 596.421 5.552 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408780827 1069904622 /nfs/dbraw/zinc/90/46/22/1069904622.db2.gz LQFKJKRNCCKNIA-OGLMXYFKSA-N -1 0 600.538 6.575 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408782521 1069907484 /nfs/dbraw/zinc/90/74/84/1069907484.db2.gz JSBVRJWBNIMGGK-SRZZPIQSSA-N -1 0 627.391 5.070 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408785510 1069914151 /nfs/dbraw/zinc/91/41/51/1069914151.db2.gz GRELFJQXJBEIRH-LPYMAVHISA-N -1 0 555.441 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408781229 1069915664 /nfs/dbraw/zinc/91/56/64/1069915664.db2.gz BEIWHFUXDHHCBU-RGVLZGJSSA-N -1 0 694.263 5.458 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408790480 1069919903 /nfs/dbraw/zinc/91/99/03/1069919903.db2.gz SAIGIRUMEXZMNU-FYJGNVAPSA-N -1 0 570.885 7.060 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408794718 1069927150 /nfs/dbraw/zinc/92/71/50/1069927150.db2.gz BEDHGZQBJGONLL-CIAFOILYSA-N -1 0 529.807 6.455 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408794698 1069927236 /nfs/dbraw/zinc/92/72/36/1069927236.db2.gz AXHUPRZXCTZKJY-YDZHTSKRSA-N -1 0 517.368 6.392 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408795319 1069927864 /nfs/dbraw/zinc/92/78/64/1069927864.db2.gz BXAVBKZDYBXTSX-RGVLZGJSSA-N -1 0 535.940 5.119 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408796623 1069930940 /nfs/dbraw/zinc/93/09/40/1069930940.db2.gz AZJSPIRIMOBCDA-RGVLZGJSSA-N -1 0 525.388 5.864 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408799741 1069935501 /nfs/dbraw/zinc/93/55/01/1069935501.db2.gz IEFLLIQFHBUJIC-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408799870 1069935300 /nfs/dbraw/zinc/93/53/00/1069935300.db2.gz IUPZNYVCCRKBOT-OVVQPSECSA-N -1 0 549.539 5.419 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408799728 1069934572 /nfs/dbraw/zinc/93/45/72/1069934572.db2.gz IBBFVUXFABLGHH-FYJGNVAPSA-N -1 0 521.367 5.012 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Br)c3)C2=O)c1 ZINC000408800732 1069936790 /nfs/dbraw/zinc/93/67/90/1069936790.db2.gz OZWXSTAEIUURBD-LPYMAVHISA-N -1 0 533.422 5.928 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408800694 1069936859 /nfs/dbraw/zinc/93/68/59/1069936859.db2.gz QRHXGGBHEFVIKU-VCHYOVAHSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1C ZINC000408801251 1069938519 /nfs/dbraw/zinc/93/85/19/1069938519.db2.gz UIBXANWCGSCBMG-DEDYPNTBSA-N -1 0 539.813 5.965 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408801202 1069938860 /nfs/dbraw/zinc/93/88/60/1069938860.db2.gz SFDCRPGHVXPJFE-YDZHTSKRSA-N -1 0 518.997 5.773 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408801404 1069939460 /nfs/dbraw/zinc/93/94/60/1069939460.db2.gz AOBDVEIUUBVYGU-MFKUBSTISA-N -1 0 526.976 6.137 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000408801342 1069939598 /nfs/dbraw/zinc/93/95/98/1069939598.db2.gz ACIGCPFFMKCNOD-KGENOOAVSA-N -1 0 521.367 5.093 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)c1C ZINC000408801935 1069941122 /nfs/dbraw/zinc/94/11/22/1069941122.db2.gz WWMHLJCUMHTEAJ-VCHYOVAHSA-N -1 0 574.258 6.618 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408806516 1069941768 /nfs/dbraw/zinc/94/17/68/1069941768.db2.gz FBUDGUOMMZHUPW-RDRPBHBLSA-N -1 0 562.622 6.136 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408806533 1069941996 /nfs/dbraw/zinc/94/19/96/1069941996.db2.gz FEKQKSRJJDXJAF-LPYMAVHISA-N -1 0 565.420 5.490 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408806789 1069942736 /nfs/dbraw/zinc/94/27/36/1069942736.db2.gz BTGXBKGEAKAOJV-CPNJWEJPSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408802794 1069945691 /nfs/dbraw/zinc/94/56/91/1069945691.db2.gz HMTGMZYJHJKDFP-LPYMAVHISA-N -1 0 596.421 5.552 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408807227 1069943592 /nfs/dbraw/zinc/94/35/92/1069943592.db2.gz GONFNCBFMBMCNH-RGVLZGJSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408802160 1069944131 /nfs/dbraw/zinc/94/41/31/1069944131.db2.gz XFFLSGFSYKNAEO-VXLYETTFSA-N -1 0 651.284 6.551 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408802272 1069944335 /nfs/dbraw/zinc/94/43/35/1069944335.db2.gz YTMMRPRGENJDQD-WOJGMQOQSA-N -1 0 647.809 5.497 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408803929 1069948126 /nfs/dbraw/zinc/94/81/26/1069948126.db2.gz UWUYDUPSXOZTJR-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408803767 1069948229 /nfs/dbraw/zinc/94/82/29/1069948229.db2.gz AFDRMPNZONVGCJ-CIAFOILYSA-N -1 0 586.236 5.466 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408803984 1069948953 /nfs/dbraw/zinc/94/89/53/1069948953.db2.gz BLVRVBJIACOYQH-OVVQPSECSA-N -1 0 534.568 5.570 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408804078 1069949188 /nfs/dbraw/zinc/94/91/88/1069949188.db2.gz COLAWDPRMXGAHZ-WSDLNYQXSA-N -1 0 539.415 6.254 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408807474 1069949916 /nfs/dbraw/zinc/94/99/16/1069949916.db2.gz CQBXEEFIMLTRIL-OGLMXYFKSA-N -1 0 613.464 6.282 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408804497 1069949940 /nfs/dbraw/zinc/94/99/40/1069949940.db2.gz XXSJSFQEQSWJCV-RGVLZGJSSA-N -1 0 600.384 5.301 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408803071 1069946925 /nfs/dbraw/zinc/94/69/25/1069946925.db2.gz KYDUFHSCNXICKE-WGOQTCKBSA-N -1 0 613.066 6.622 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408804969 1069951843 /nfs/dbraw/zinc/95/18/43/1069951843.db2.gz HWXVQICAPPVRAN-DJKKODMXSA-N -1 0 604.284 6.627 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408807724 1069954185 /nfs/dbraw/zinc/95/41/85/1069954185.db2.gz ONMUSLCPZHKFNH-KEBDBYFISA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408805667 1069954480 /nfs/dbraw/zinc/95/44/80/1069954480.db2.gz BPJOBFFESPZDFY-HYARGMPZSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408806208 1069955845 /nfs/dbraw/zinc/95/58/45/1069955845.db2.gz AVVUTSXVXTVWPZ-STBIYBPSSA-N -1 0 655.545 7.289 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408805916 1069955122 /nfs/dbraw/zinc/95/51/22/1069955122.db2.gz IGZQPSANBCQUBZ-AJBULDERSA-N -1 0 599.599 6.572 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408807722 1069957446 /nfs/dbraw/zinc/95/74/46/1069957446.db2.gz HLGBDJLVOLLPME-LQKURTRISA-N -1 0 597.067 6.790 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408808105 1069958272 /nfs/dbraw/zinc/95/82/72/1069958272.db2.gz DZQWLOZTWOUQCK-QGMBQPNBSA-N -1 0 536.198 6.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408810143 1069962772 /nfs/dbraw/zinc/96/27/72/1069962772.db2.gz LPRWNZWKQGITOW-FRKPEAEDSA-N -1 0 614.696 7.598 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408810711 1069964562 /nfs/dbraw/zinc/96/45/62/1069964562.db2.gz KJGDQNROJRBCCL-VCHYOVAHSA-N -1 0 594.676 6.963 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408811839 1069966782 /nfs/dbraw/zinc/96/67/82/1069966782.db2.gz RVSZTCWVZNMLBT-WOJGMQOQSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000408812495 1069968661 /nfs/dbraw/zinc/96/86/61/1069968661.db2.gz OYLWYHZVGMJPQU-RQZCQDPDSA-N -1 0 550.225 6.854 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815344 1069969262 /nfs/dbraw/zinc/96/92/62/1069969262.db2.gz JECDGQUBVPSNBN-CIAFOILYSA-N -1 0 541.456 6.111 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408816128 1069971547 /nfs/dbraw/zinc/97/15/47/1069971547.db2.gz SOHMOFVOEGWSRF-YBFXNURJSA-N -1 0 556.756 5.256 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408816087 1069971636 /nfs/dbraw/zinc/97/16/36/1069971636.db2.gz QYWJHJVOZOIUMB-RGVLZGJSSA-N -1 0 583.866 6.282 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408815781 1069970940 /nfs/dbraw/zinc/97/09/40/1069970940.db2.gz UMZXRVLTERNOTK-MTDXEUNCSA-N -1 0 538.987 6.164 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408817028 1069973994 /nfs/dbraw/zinc/97/39/94/1069973994.db2.gz VOKJEIJZSYXEOR-RGVLZGJSSA-N -1 0 553.384 5.459 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408816993 1069974063 /nfs/dbraw/zinc/97/40/63/1069974063.db2.gz SSBYRFJDDUNCDT-UZWMFBFFSA-N -1 0 584.628 6.673 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408813638 1069978456 /nfs/dbraw/zinc/97/84/56/1069978456.db2.gz YEUVLSZAVUHNMX-GIJQJNRQSA-N -1 0 624.702 7.053 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000408813910 1069979114 /nfs/dbraw/zinc/97/91/14/1069979114.db2.gz FBNBPCHLUAYKCW-XDHOZWIPSA-N -1 0 572.278 5.622 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408813712 1069979145 /nfs/dbraw/zinc/97/91/45/1069979145.db2.gz RBHCNUKGZKPOJU-YBFXNURJSA-N -1 0 559.833 6.599 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O ZINC000408814243 1069980330 /nfs/dbraw/zinc/98/03/30/1069980330.db2.gz SFEXZOXVTDETGA-LGUFXXKBSA-N -1 0 592.721 6.516 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)c1C ZINC000408814578 1069981185 /nfs/dbraw/zinc/98/11/85/1069981185.db2.gz RQRQWMJGFAWPJH-VCHYOVAHSA-N -1 0 529.807 6.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408814516 1069981252 /nfs/dbraw/zinc/98/12/52/1069981252.db2.gz ZHXZIQUOHCGBKL-LPYMAVHISA-N -1 0 539.415 6.200 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408814663 1069981364 /nfs/dbraw/zinc/98/13/64/1069981364.db2.gz PXDTZEKWWYBOQX-GIJQJNRQSA-N -1 0 671.702 6.896 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408822409 1069982938 /nfs/dbraw/zinc/98/29/38/1069982938.db2.gz BJKWFPFDSSKQEN-UXHLAJHPSA-N -1 0 576.649 6.445 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408822499 1069983464 /nfs/dbraw/zinc/98/34/64/1069983464.db2.gz CAHBQCPHLXXXNF-SWIRUNBASA-N -1 0 714.649 9.116 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408823495 1069988502 /nfs/dbraw/zinc/98/85/02/1069988502.db2.gz FNUMBQJDBWCIQV-CVKSISIWSA-N -1 0 651.930 7.870 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408819612 1069992377 /nfs/dbraw/zinc/99/23/77/1069992377.db2.gz YAYXSAPMAFNDEO-HZHRSRAPSA-N -1 0 547.394 6.401 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408819928 1069993166 /nfs/dbraw/zinc/99/31/66/1069993166.db2.gz ZHTLGYQWCVRTFA-LICLKQGHSA-N -1 0 531.779 5.901 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408820003 1069993273 /nfs/dbraw/zinc/99/32/73/1069993273.db2.gz ZUEDQYWLNRNSJZ-CIAFOILYSA-N -1 0 594.418 5.618 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1C ZINC000408821090 1069996011 /nfs/dbraw/zinc/99/60/11/1069996011.db2.gz CHUOSCYAVACRKV-NHXUXXGXSA-N -1 0 752.709 9.189 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408821097 1069996072 /nfs/dbraw/zinc/99/60/72/1069996072.db2.gz CJPQUAFTAYPTNP-MFKUBSTISA-N -1 0 635.873 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408821212 1069996213 /nfs/dbraw/zinc/99/62/13/1069996213.db2.gz DTUUESMVLTWPCP-CVKSISIWSA-N -1 0 607.877 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408821268 1069996239 /nfs/dbraw/zinc/99/62/39/1069996239.db2.gz FMSUUQZLIIQKCP-OPTCCTCHSA-N -1 0 749.094 9.770 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408821312 1069996866 /nfs/dbraw/zinc/99/68/66/1069996866.db2.gz GAIGIYNJKGRWGN-JFLMPSFJSA-N -1 0 708.936 7.086 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408821302 1069996958 /nfs/dbraw/zinc/99/69/58/1069996958.db2.gz FWYLXUHTQUFXLV-AFUMVMLFSA-N -1 0 739.906 6.686 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc5c6c(c4)[C@@H](c4ccccc4)CCN6CC[C@@H]5c4ccccc4)C3=O)cc2)c1 ZINC000408821673 1069998463 /nfs/dbraw/zinc/99/84/63/1069998463.db2.gz AAIPDONQUCKBHZ-OEJGKCQCSA-N -1 0 659.786 8.118 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408821879 1069999786 /nfs/dbraw/zinc/99/97/86/1069999786.db2.gz AAQLYBJKQVPTAF-YDUBKYSFSA-N -1 0 779.120 9.778 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408822064 1070000830 /nfs/dbraw/zinc/00/08/30/1070000830.db2.gz BCAAUSWRPVPPOK-JVWAILMASA-N -1 0 617.485 7.217 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc5c6c(c4)[C@H](c4ccccc4)CCN6CC[C@@H]5c4ccccc4)C3=O)cc2Br)c1 ZINC000408826734 1070004138 /nfs/dbraw/zinc/00/41/38/1070004138.db2.gz KPYGCCQSIBHFRV-URFBEJBISA-N -1 0 738.682 8.881 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408827035 1070004619 /nfs/dbraw/zinc/00/46/19/1070004619.db2.gz ULKSWTRQAZNUHV-CVKSISIWSA-N -1 0 696.381 7.979 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)C3=O)cc2)cc1 ZINC000408826969 1070004774 /nfs/dbraw/zinc/00/47/74/1070004774.db2.gz JYMARYURAODEOB-JVWAILMASA-N -1 0 642.462 6.490 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)c1 ZINC000408827177 1070005473 /nfs/dbraw/zinc/00/54/73/1070005473.db2.gz CLSYJZQMBQPDST-IXVMJDEYSA-N -1 0 738.682 8.881 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408827174 1070005808 /nfs/dbraw/zinc/00/58/08/1070005808.db2.gz KKPVJEIXKVUJPJ-YBFXNURJSA-N -1 0 571.413 5.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408824455 1070009834 /nfs/dbraw/zinc/00/98/34/1070009834.db2.gz HSHBPMIECRZTLC-VULFUBBASA-N -1 0 682.354 7.589 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408824794 1070010279 /nfs/dbraw/zinc/01/02/79/1070010279.db2.gz HSQLIJJLMCCWPY-JFLMPSFJSA-N -1 0 696.381 7.979 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408824641 1070010447 /nfs/dbraw/zinc/01/04/47/1070010447.db2.gz IRMVHQSGZBEGDI-MFOYZWKCSA-N -1 0 553.295 6.397 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408825055 1070011247 /nfs/dbraw/zinc/01/12/47/1070011247.db2.gz JCKLDUIPQBDDFG-OPEKNORGSA-N -1 0 812.271 9.128 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408825212 1070012478 /nfs/dbraw/zinc/01/24/78/1070012478.db2.gz ATAFBAKEBLQRSH-UXHLAJHPSA-N -1 0 562.622 6.136 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408825101 1070011998 /nfs/dbraw/zinc/01/19/98/1070011998.db2.gz AFKSXNYMGVZJDR-JVWAILMASA-N -1 0 692.360 7.045 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408829496 1070015975 /nfs/dbraw/zinc/01/59/75/1070015975.db2.gz OKTJRVSKROSJNB-AFUMVMLFSA-N -1 0 642.322 8.125 40 10 KKCBRM Cc1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408825831 1070014192 /nfs/dbraw/zinc/01/41/92/1070014192.db2.gz JOFSSINJCJUTAR-JVWAILMASA-N -1 0 587.459 7.126 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408831376 1070020314 /nfs/dbraw/zinc/02/03/14/1070020314.db2.gz QPHYMNOTHBPCKP-XOARQMTESA-N -1 0 724.257 8.862 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408831319 1070020488 /nfs/dbraw/zinc/02/04/88/1070020488.db2.gz ZJNKOMLLYFTAJM-CVKSISIWSA-N -1 0 680.324 7.175 40 10 KKCBRM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408831899 1070021858 /nfs/dbraw/zinc/02/18/58/1070021858.db2.gz HRCZSOAETZKJSV-PCLIKHOPSA-N -1 0 557.400 5.856 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1Cl ZINC000408830600 1070018534 /nfs/dbraw/zinc/01/85/34/1070018534.db2.gz GGCNGFBHTCZEJM-HYARGMPZSA-N -1 0 569.839 6.137 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408830875 1070018981 /nfs/dbraw/zinc/01/89/81/1070018981.db2.gz GMPHKNWDJPBNTH-IUXPMGMMSA-N -1 0 691.227 6.871 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408832907 1070025109 /nfs/dbraw/zinc/02/51/09/1070025109.db2.gz SFAPNQGQUIQWNY-HHIJOFDGSA-N -1 0 703.839 8.435 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408836490 1070027039 /nfs/dbraw/zinc/02/70/39/1070027039.db2.gz RSWXUAUQXIIIDC-OCSSWDANSA-N -1 0 716.572 7.440 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1Br ZINC000408836532 1070027569 /nfs/dbraw/zinc/02/75/69/1070027569.db2.gz SESMNDQTHAIRFK-IIDTVRMTSA-N -1 0 648.557 7.002 40 10 KKCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408836891 1070028769 /nfs/dbraw/zinc/02/87/69/1070028769.db2.gz WRYWAPGBCFQJCV-WQXJDYIOSA-N -1 0 676.611 7.782 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Br ZINC000408837144 1070029567 /nfs/dbraw/zinc/02/95/67/1070029567.db2.gz ZGJAHICUULCJOO-SRZZPIQSSA-N -1 0 604.284 6.789 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408833560 1070030937 /nfs/dbraw/zinc/03/09/37/1070030937.db2.gz RVHSVAYPEZDGCX-KUSGNEOTSA-N -1 0 804.741 9.734 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OC ZINC000408834043 1070032411 /nfs/dbraw/zinc/03/24/11/1070032411.db2.gz KXPPKHWTUQCMAJ-KEBDBYFISA-N -1 0 667.283 6.251 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408834152 1070033049 /nfs/dbraw/zinc/03/30/49/1070033049.db2.gz TWYIZVBOZUJGEH-JVWAILMASA-N -1 0 587.003 6.312 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408834518 1070034251 /nfs/dbraw/zinc/03/42/51/1070034251.db2.gz VFQISZKDAZIJLK-DHRITJCHSA-N -1 0 743.381 7.739 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Cl)c1OC ZINC000408836197 1070040347 /nfs/dbraw/zinc/04/03/47/1070040347.db2.gz ZSXKYUJCFCIJDU-LPYMAVHISA-N -1 0 520.969 5.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408835492 1070037771 /nfs/dbraw/zinc/03/77/71/1070037771.db2.gz XEIVKVDPGYYKRR-BIZUNTBRSA-N -1 0 752.605 8.284 40 10 KKCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408843851 1070049125 /nfs/dbraw/zinc/04/91/25/1070049125.db2.gz NXRGUGWEXIKFTK-UDWIEESQSA-N -1 0 526.184 5.744 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc(I)c4)c3C)C2=O)c1 ZINC000408844277 1070049739 /nfs/dbraw/zinc/04/97/39/1070049739.db2.gz HQUAZUPNSXQVPP-LPYMAVHISA-N -1 0 599.425 5.163 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408844483 1070050126 /nfs/dbraw/zinc/05/01/26/1070050126.db2.gz CXVOYVVQDBHXSJ-GZTJUZNOSA-N -1 0 547.847 6.066 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)cc1C ZINC000408846852 1070055187 /nfs/dbraw/zinc/05/51/87/1070055187.db2.gz SMYZHQNEPGLXCI-VXLYETTFSA-N -1 0 712.709 6.411 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408847810 1070056388 /nfs/dbraw/zinc/05/63/88/1070056388.db2.gz SFDLFZHGAFVYLV-CXUHLZMHSA-N -1 0 637.295 6.083 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C2=O)c1 ZINC000408843177 1070057432 /nfs/dbraw/zinc/05/74/32/1070057432.db2.gz DWMAVDHEEKPNGL-VCHYOVAHSA-N -1 0 531.815 6.130 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1C ZINC000408843216 1070057721 /nfs/dbraw/zinc/05/77/21/1070057721.db2.gz FAWPUAAVTBWABD-VXLYETTFSA-N -1 0 529.807 6.509 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(OCC)ccc4OCC)C3=O)c1C)CCCC2 ZINC000408852243 1070058748 /nfs/dbraw/zinc/05/87/48/1070058748.db2.gz FHOVKUJMURJNHI-XQNSMLJCSA-N -1 0 605.713 5.675 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408850726 1070065204 /nfs/dbraw/zinc/06/52/04/1070065204.db2.gz DDQVUZZCHJHRAH-DJKKODMXSA-N -1 0 599.821 5.475 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1C ZINC000408851319 1070065461 /nfs/dbraw/zinc/06/54/61/1070065461.db2.gz BJFIKBMDKXWMMU-UDWIEESQSA-N -1 0 523.358 5.450 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408851191 1070065784 /nfs/dbraw/zinc/06/57/84/1070065784.db2.gz AAHRZZOZBUJNOJ-KPGMTVGESA-N -1 0 691.622 8.324 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408857768 1070068287 /nfs/dbraw/zinc/06/82/87/1070068287.db2.gz WMGYNWCNUFHMKW-WSDLNYQXSA-N -1 0 675.317 6.315 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1C ZINC000408858212 1070069216 /nfs/dbraw/zinc/06/92/16/1070069216.db2.gz XRZIFYDELBZTMR-FYJGNVAPSA-N -1 0 523.358 5.450 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408853697 1070070750 /nfs/dbraw/zinc/07/07/50/1070070750.db2.gz WSNCRTSJKFBMMX-CXUHLZMHSA-N -1 0 565.837 6.205 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Cl)c1O ZINC000408854624 1070072606 /nfs/dbraw/zinc/07/26/06/1070072606.db2.gz AHPSPRACQUEDLR-RMKNXTFCSA-N -1 0 550.645 5.345 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408854912 1070073143 /nfs/dbraw/zinc/07/31/43/1070073143.db2.gz BBTMZYKCHMDKRS-MHWRWJLKSA-N -1 0 654.269 5.917 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408856405 1070075768 /nfs/dbraw/zinc/07/57/68/1070075768.db2.gz JUAKTRDSJGFFED-YDZHTSKRSA-N -1 0 563.448 6.018 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)C2=O)cc1C ZINC000408856349 1070075393 /nfs/dbraw/zinc/07/53/93/1070075393.db2.gz HNHRKIWYFBPPRM-ZMOGYAJESA-N -1 0 545.422 7.009 40 10 KKCBRM CC(C)(C)c1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(C(C)(C)C)c1O ZINC000408860165 1070076484 /nfs/dbraw/zinc/07/64/84/1070076484.db2.gz YMHXEMUGRLBBQI-GXDHUFHOSA-N -1 0 505.467 6.125 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OC)c2)C1=O ZINC000408865105 1070082115 /nfs/dbraw/zinc/08/21/15/1070082115.db2.gz BAJHBIBRQUWIKK-UCQKPKSFSA-N -1 0 502.998 5.785 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408865176 1070082157 /nfs/dbraw/zinc/08/21/57/1070082157.db2.gz BIOOWUOYKUIEOE-YDZHTSKRSA-N -1 0 537.841 6.285 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408865650 1070083310 /nfs/dbraw/zinc/08/33/10/1070083310.db2.gz DFEHJEPQOSXVQA-XYGWBWBKSA-N -1 0 555.030 6.700 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1 ZINC000408865842 1070084174 /nfs/dbraw/zinc/08/41/74/1070084174.db2.gz DXDQZXFTAFHUJG-WSDLNYQXSA-N -1 0 523.814 5.977 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408866051 1070084957 /nfs/dbraw/zinc/08/49/57/1070084957.db2.gz FHXRYGCIKFLHRI-LPYMAVHISA-N -1 0 581.394 5.031 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408867172 1070087636 /nfs/dbraw/zinc/08/76/36/1070087636.db2.gz JVJYJYNCQDXQTC-UNOMPAQXSA-N -1 0 513.402 5.412 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408869071 1070090729 /nfs/dbraw/zinc/09/07/29/1070090729.db2.gz QQDKZMQTRAEWLF-ZVHZXABRSA-N -1 0 563.448 5.730 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408869669 1070092229 /nfs/dbraw/zinc/09/22/29/1070092229.db2.gz SXPKGMIFBPOCHP-UDWIEESQSA-N -1 0 527.379 6.097 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408870281 1070093499 /nfs/dbraw/zinc/09/34/99/1070093499.db2.gz SMDYKTADUUAHAZ-UNOMPAQXSA-N -1 0 527.827 5.513 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408870865 1070094831 /nfs/dbraw/zinc/09/48/31/1070094831.db2.gz XBEFREOHXVRDBA-KEBDBYFISA-N -1 0 543.834 6.529 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2c(Cc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000408871493 1070095840 /nfs/dbraw/zinc/09/58/40/1070095840.db2.gz YKSRAZDTWMQDBA-XQNSMLJCSA-N -1 0 515.396 6.712 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408872388 1070097130 /nfs/dbraw/zinc/09/71/30/1070097130.db2.gz MKRJBYLZVBLZRI-KEBDBYFISA-N -1 0 635.285 6.481 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408872228 1070097364 /nfs/dbraw/zinc/09/73/64/1070097364.db2.gz BLMMZHXCCJLQON-WSDLNYQXSA-N -1 0 567.867 6.375 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408872612 1070097817 /nfs/dbraw/zinc/09/78/17/1070097817.db2.gz HJQUACSOMSUOCL-IWIPYMOSSA-N -1 0 608.476 6.126 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1 ZINC000408875353 1070102499 /nfs/dbraw/zinc/10/24/99/1070102499.db2.gz DSSPSKQEMNVIIN-UDWIEESQSA-N -1 0 513.750 5.499 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(Cc2ccccc2Br)c1 ZINC000408879800 1070104043 /nfs/dbraw/zinc/10/40/43/1070104043.db2.gz FTCSPMUHYXDYOJ-RCCKNPSSSA-N -1 0 505.368 5.023 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408880217 1070106619 /nfs/dbraw/zinc/10/66/19/1070106619.db2.gz GPNJUPYSDIQQRU-FYJGNVAPSA-N -1 0 523.416 6.266 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408875790 1070108030 /nfs/dbraw/zinc/10/80/30/1070108030.db2.gz KXLPTHGQISWSNS-ODLFYWEKSA-N -1 0 513.402 5.412 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408878251 1070114269 /nfs/dbraw/zinc/11/42/69/1070114269.db2.gz YWMIGONDBQBFRJ-BUVRLJJBSA-N -1 0 547.405 5.110 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408877067 1070111112 /nfs/dbraw/zinc/11/11/12/1070111112.db2.gz PHQIUMVMNVNOEY-ZVHZXABRSA-N -1 0 591.458 5.508 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408877229 1070111957 /nfs/dbraw/zinc/11/19/57/1070111957.db2.gz UJLYOGHLWPUEPX-ODLFYWEKSA-N -1 0 508.933 5.350 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1 ZINC000408877642 1070112764 /nfs/dbraw/zinc/11/27/64/1070112764.db2.gz WSCOIXRJWXLFKC-RQZCQDPDSA-N -1 0 520.199 6.557 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Br ZINC000408877986 1070113435 /nfs/dbraw/zinc/11/34/35/1070113435.db2.gz ZNJPETNIJBQCSS-WOJGMQOQSA-N -1 0 609.101 6.776 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408877947 1070113518 /nfs/dbraw/zinc/11/35/18/1070113518.db2.gz YVFSZJRLPPRBFU-DJKKODMXSA-N -1 0 574.258 6.330 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408883878 1070117586 /nfs/dbraw/zinc/11/75/86/1070117586.db2.gz SBGIVGGWOZAYTO-UDWIEESQSA-N -1 0 631.264 5.710 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408883822 1070117715 /nfs/dbraw/zinc/11/77/15/1070117715.db2.gz RCRDZAOTNOZUOM-NDENLUEZSA-N -1 0 600.332 6.032 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(Cc2ccccc2Cl)ccc2ccccc21 ZINC000408885078 1070120269 /nfs/dbraw/zinc/12/02/69/1070120269.db2.gz XASVXRQAEWSEBA-LFVJCYFKSA-N -1 0 511.921 5.659 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408885116 1070120317 /nfs/dbraw/zinc/12/03/17/1070120317.db2.gz XULSAYNXONQTEP-LPYMAVHISA-N -1 0 595.421 5.421 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408885498 1070120856 /nfs/dbraw/zinc/12/08/56/1070120856.db2.gz BABUFACDPYXPJU-LICLKQGHSA-N -1 0 515.324 5.387 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408885768 1070121694 /nfs/dbraw/zinc/12/16/94/1070121694.db2.gz ALBDGNFVSHJHNQ-RDRPBHBLSA-N -1 0 562.622 6.136 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408885875 1070121770 /nfs/dbraw/zinc/12/17/70/1070121770.db2.gz GGJRVXIOKOTQDU-YBEGLDIGSA-N -1 0 559.775 5.496 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408881930 1070125099 /nfs/dbraw/zinc/12/50/99/1070125099.db2.gz OIOIEIXDEWHYAU-HZHRSRAPSA-N -1 0 504.970 5.395 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 ZINC000408881547 1070124123 /nfs/dbraw/zinc/12/41/23/1070124123.db2.gz MVQQRVHRCUTAGA-ZXVVBBHZSA-N -1 0 506.533 5.662 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408881452 1070124217 /nfs/dbraw/zinc/12/42/17/1070124217.db2.gz NEOLHJNKGCBHRQ-LZYBPNLTSA-N -1 0 610.675 6.663 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408888478 1070130100 /nfs/dbraw/zinc/13/01/00/1070130100.db2.gz VVRUIZURFWVATC-FYJGNVAPSA-N -1 0 611.420 5.409 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408882808 1070127643 /nfs/dbraw/zinc/12/76/43/1070127643.db2.gz RAAPOODQUXABNH-MFKUBSTISA-N -1 0 603.458 6.826 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408891323 1070135011 /nfs/dbraw/zinc/13/50/11/1070135011.db2.gz OOJZORDBIROOQT-DEDYPNTBSA-N -1 0 539.371 5.416 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408887024 1070136977 /nfs/dbraw/zinc/13/69/77/1070136977.db2.gz LIRGFPWAJPWPLX-SSDVNMTOSA-N -1 0 630.866 6.206 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408887279 1070138069 /nfs/dbraw/zinc/13/80/69/1070138069.db2.gz PEZLVLCGJMQDBK-WGOQTCKBSA-N -1 0 724.529 5.621 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408895682 1070146068 /nfs/dbraw/zinc/14/60/68/1070146068.db2.gz FEMFTOKZGOFKID-UUYOSTAYSA-N -1 0 695.337 7.031 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCCC)c(OCC)c3)C2=O)cc1 ZINC000408895304 1070146132 /nfs/dbraw/zinc/14/61/32/1070146132.db2.gz DVJPKGVLDWKVEX-ZHZULCJRSA-N -1 0 592.430 5.324 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408895273 1070145270 /nfs/dbraw/zinc/14/52/70/1070145270.db2.gz DLPVTRPONHFHCT-JLPGSUDCSA-N -1 0 579.447 5.882 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408893457 1070156126 /nfs/dbraw/zinc/15/61/26/1070156126.db2.gz AQNCFZSFOGFXQU-HAHDFKILSA-N -1 0 579.447 5.882 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1 ZINC000408899959 1070160999 /nfs/dbraw/zinc/16/09/99/1070160999.db2.gz QRXYUZKZIMEEIG-XDHOZWIPSA-N -1 0 603.210 5.299 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408899414 1070157559 /nfs/dbraw/zinc/15/75/59/1070157559.db2.gz PBOQWLGPPDNTIZ-QQXSKIMKSA-N -1 0 514.578 5.346 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000408900158 1070161689 /nfs/dbraw/zinc/16/16/89/1070161689.db2.gz XHMJETJWRKFAKS-PDGQHHTCSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408899383 1070157818 /nfs/dbraw/zinc/15/78/18/1070157818.db2.gz OWAMHBXDLCECDS-LSCVHKIXSA-N -1 0 716.153 6.923 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408899447 1070157863 /nfs/dbraw/zinc/15/78/63/1070157863.db2.gz UJXZMSCBTJSWHN-IUXPMGMMSA-N -1 0 669.153 7.081 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408899715 1070159287 /nfs/dbraw/zinc/15/92/87/1070159287.db2.gz QPGOLVBZJLTDNN-WSDLNYQXSA-N -1 0 504.970 5.519 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Cl)c3)C2=O)ccc1Br ZINC000408901151 1070166684 /nfs/dbraw/zinc/16/66/84/1070166684.db2.gz WIZKCUJGAJQWLT-UNOMPAQXSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000408897106 1070170899 /nfs/dbraw/zinc/17/08/99/1070170899.db2.gz VRZFIYMBIPMWPQ-GZTJUZNOSA-N -1 0 620.802 5.728 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408897430 1070171636 /nfs/dbraw/zinc/17/16/36/1070171636.db2.gz JGWONSSZSVHXRS-IMRQLAEWSA-N -1 0 585.454 6.637 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408901321 1070167813 /nfs/dbraw/zinc/16/78/13/1070167813.db2.gz XEMZQTHZTFYQEP-ITYLOYPMSA-N -1 0 589.475 7.571 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408901516 1070168478 /nfs/dbraw/zinc/16/84/78/1070168478.db2.gz YKANPCLAZGTURP-JLPGSUDCSA-N -1 0 549.023 6.163 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408901534 1070168545 /nfs/dbraw/zinc/16/85/45/1070168545.db2.gz YPLSBESLZKOVOS-HMAPJEAMSA-N -1 0 580.391 5.392 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000408901758 1070169170 /nfs/dbraw/zinc/16/91/70/1070169170.db2.gz ZUPIMEJKVYBWHF-NDENLUEZSA-N -1 0 588.227 5.905 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C1=O ZINC000408898946 1070176934 /nfs/dbraw/zinc/17/69/34/1070176934.db2.gz NINGTRGQPMHBDY-WQRHYEAKSA-N -1 0 588.227 5.905 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408898007 1070173229 /nfs/dbraw/zinc/17/32/29/1070173229.db2.gz KJMQCBFDZAFQLL-MYYYXRDXSA-N -1 0 607.501 6.499 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408898420 1070174657 /nfs/dbraw/zinc/17/46/57/1070174657.db2.gz MEPJIBMOWNDHJV-XYGWBWBKSA-N -1 0 500.551 5.038 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000408902780 1070184216 /nfs/dbraw/zinc/18/42/16/1070184216.db2.gz LESXGZCSZIKSLB-YBFXNURJSA-N -1 0 617.225 5.035 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408912513 1070190202 /nfs/dbraw/zinc/19/02/02/1070190202.db2.gz HTSVFZZBTJONBP-OEAKJJBVSA-N -1 0 535.358 6.531 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408910951 1070202658 /nfs/dbraw/zinc/20/26/58/1070202658.db2.gz MFFUKOYIZHLKEO-CAOOACKPSA-N -1 0 608.645 6.250 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000408933935 1070267910 /nfs/dbraw/zinc/26/79/10/1070267910.db2.gz CFTYTSUGSWFPBR-PXNMLYILSA-N -1 0 674.772 6.357 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408934388 1070269397 /nfs/dbraw/zinc/26/93/97/1070269397.db2.gz AJKATYJXLIPGKC-YBFXNURJSA-N -1 0 600.809 5.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408936528 1070276577 /nfs/dbraw/zinc/27/65/77/1070276577.db2.gz KUSPXIQKTRCNID-AFUMVMLFSA-N -1 0 682.354 7.589 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408936508 1070276800 /nfs/dbraw/zinc/27/68/00/1070276800.db2.gz KQNFHRAJTTWTLF-CVKSISIWSA-N -1 0 651.930 7.870 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408937014 1070278947 /nfs/dbraw/zinc/27/89/47/1070278947.db2.gz LZOYWMCIJPKJAM-PCLIKHOPSA-N -1 0 652.328 7.580 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000408940993 1070287564 /nfs/dbraw/zinc/28/75/64/1070287564.db2.gz WGERSUCWSWXJEO-WPWMEQJKSA-N -1 0 556.977 6.304 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408940126 1070284749 /nfs/dbraw/zinc/28/47/49/1070284749.db2.gz UIPPOXHAKQTBHZ-UVHMKAGCSA-N -1 0 665.957 8.097 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000408940910 1070287423 /nfs/dbraw/zinc/28/74/23/1070287423.db2.gz VOPYSJZOEWAJHO-XDHOZWIPSA-N -1 0 500.860 5.604 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408937845 1070292922 /nfs/dbraw/zinc/29/29/22/1070292922.db2.gz PKLWIZCKXHPFJF-MTJSOVHGSA-N -1 0 572.967 6.620 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408938612 1070295571 /nfs/dbraw/zinc/29/55/71/1070295571.db2.gz LEQVUTDVBLCRCG-RGVLZGJSSA-N -1 0 539.903 5.031 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408938727 1070295649 /nfs/dbraw/zinc/29/56/49/1070295649.db2.gz RGOUUGMNAGJQDP-CVKSISIWSA-N -1 0 635.873 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408943978 1070296294 /nfs/dbraw/zinc/29/62/94/1070296294.db2.gz SYFWSISAEVETLA-OEAKJJBVSA-N -1 0 527.920 5.647 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408947165 1070311017 /nfs/dbraw/zinc/31/10/17/1070311017.db2.gz ZRHHWAPHAWTCAO-CIAFOILYSA-N -1 0 580.391 5.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408947297 1070311479 /nfs/dbraw/zinc/31/14/79/1070311479.db2.gz BVBWJSFKDMKJDE-RWPZCVJISA-N -1 0 629.526 7.301 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408956411 1070323536 /nfs/dbraw/zinc/32/35/36/1070323536.db2.gz WOBAGEOXJNHWOO-QGMBQPNBSA-N -1 0 585.794 5.085 40 10 KKCBRM O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408959815 1070322459 /nfs/dbraw/zinc/32/24/59/1070322459.db2.gz GFWNOUGGNKHMAA-UHFFFAOYSA-N -1 0 518.525 5.547 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408963933 1070329499 /nfs/dbraw/zinc/32/94/99/1070329499.db2.gz ARSDPLBFHLHTDD-LZYBPNLTSA-N -1 0 522.816 6.025 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408982631 1070340820 /nfs/dbraw/zinc/34/08/20/1070340820.db2.gz IODONCISUAJTJW-OCKHKDLRSA-N -1 0 600.809 5.573 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408982963 1070341854 /nfs/dbraw/zinc/34/18/54/1070341854.db2.gz JEPLUEJHIAQVGV-UCQKPKSFSA-N -1 0 518.997 5.855 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408983141 1070342208 /nfs/dbraw/zinc/34/22/08/1070342208.db2.gz KXBWHNCNDLCYHG-XKZIYDEJSA-N -1 0 583.866 6.309 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408983862 1070342383 /nfs/dbraw/zinc/34/23/83/1070342383.db2.gz NUKDBUGHZWBWBA-MTJSOVHGSA-N -1 0 580.391 5.174 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(OC)c3)C2=O)cc1 ZINC000408981419 1070339118 /nfs/dbraw/zinc/33/91/18/1070339118.db2.gz AYGUHNODNBVDEQ-MYYYXRDXSA-N -1 0 541.003 6.310 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(I)c3)C2=O)cc1 ZINC000408984924 1070345342 /nfs/dbraw/zinc/34/53/42/1070345342.db2.gz UIJBHVBQAFGHFL-MTJSOVHGSA-N -1 0 645.291 6.170 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408985690 1070346666 /nfs/dbraw/zinc/34/66/66/1070346666.db2.gz XSBHFMPRABNZRO-LSCVHKIXSA-N -1 0 686.127 6.914 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408989565 1070354340 /nfs/dbraw/zinc/35/43/40/1070354340.db2.gz IGEUBFOENXZROD-MHWRWJLKSA-N -1 0 567.073 6.149 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408988755 1070360699 /nfs/dbraw/zinc/36/06/99/1070360699.db2.gz RKJNFWYRYAQVNT-XKZIYDEJSA-N -1 0 504.970 5.601 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408988676 1070360839 /nfs/dbraw/zinc/36/08/39/1070360839.db2.gz FMLWDAATQQDVGJ-XSFVSMFZSA-N -1 0 540.626 5.742 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408992869 1070367653 /nfs/dbraw/zinc/36/76/53/1070367653.db2.gz TYTPNMUWURPDOG-LDADJPATSA-N -1 0 546.655 5.804 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994910 1070371791 /nfs/dbraw/zinc/37/17/91/1070371791.db2.gz HTTVFMWXIAJOCP-LICLKQGHSA-N -1 0 699.248 7.554 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409002146 1070378666 /nfs/dbraw/zinc/37/86/66/1070378666.db2.gz YHGPZDBKHRLCPN-VCHYOVAHSA-N -1 0 683.180 7.389 40 10 KKCBRM CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409024844 1070408181 /nfs/dbraw/zinc/40/81/81/1070408181.db2.gz XSMNGJFEVQPNKK-XQNSMLJCSA-N -1 0 501.608 5.054 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409041490 1070445277 /nfs/dbraw/zinc/44/52/77/1070445277.db2.gz JRPPCRUSEQZWGJ-CAOOACKPSA-N -1 0 615.094 7.308 40 10 KKCBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409042742 1070447402 /nfs/dbraw/zinc/44/74/02/1070447402.db2.gz OQLJEBYDHZTIBU-RIYZIHGNSA-N -1 0 573.035 5.039 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000409043064 1070448940 /nfs/dbraw/zinc/44/89/40/1070448940.db2.gz PMOCRFQCHJQFCP-DEDYPNTBSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1C ZINC000409043422 1070449409 /nfs/dbraw/zinc/44/94/09/1070449409.db2.gz QRXQZTZWJBGAGH-SRZZPIQSSA-N -1 0 618.709 6.727 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1 ZINC000409044097 1070450986 /nfs/dbraw/zinc/45/09/86/1070450986.db2.gz AUOCDPQNYAKTFB-UDWIEESQSA-N -1 0 525.344 5.025 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409044700 1070451713 /nfs/dbraw/zinc/45/17/13/1070451713.db2.gz WUCIFWFGFQILFB-VCHYOVAHSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409044485 1070451755 /nfs/dbraw/zinc/45/17/55/1070451755.db2.gz VHUIDFQVGPQRJO-DJKKODMXSA-N -1 0 619.197 5.504 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409044319 1070451782 /nfs/dbraw/zinc/45/17/82/1070451782.db2.gz BVDDORGFYINVLY-DJKKODMXSA-N -1 0 560.777 6.109 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000409047724 1070459368 /nfs/dbraw/zinc/45/93/68/1070459368.db2.gz PFMBZJMXHJKLLX-VXLYETTFSA-N -1 0 632.236 5.383 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409050011 1070464580 /nfs/dbraw/zinc/46/45/80/1070464580.db2.gz ZKGRWUMPGFKJLE-KEBDBYFISA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409048106 1070460926 /nfs/dbraw/zinc/46/09/26/1070460926.db2.gz RKXCVLRMZWCHJI-PJQLUOCWSA-N -1 0 605.088 7.852 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409048381 1070461705 /nfs/dbraw/zinc/46/17/05/1070461705.db2.gz STIKYWWKKWWPNT-GIJQJNRQSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409060184 1070472743 /nfs/dbraw/zinc/47/27/43/1070472743.db2.gz YCPWTISLQXRYAO-OMCISZLKSA-N -1 0 693.990 8.071 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077040 1070492295 /nfs/dbraw/zinc/49/22/95/1070492295.db2.gz CSMJIRJEAPJIOB-FRKPEAEDSA-N -1 0 587.328 5.586 40 10 KKCBRM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069580 1070494783 /nfs/dbraw/zinc/49/47/83/1070494783.db2.gz WCCSOWJKCIPFPT-UHFFFAOYSA-N -1 0 688.474 6.551 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409071664 1070497829 /nfs/dbraw/zinc/49/78/29/1070497829.db2.gz HVNIHKRWAQJFRA-UVTDQMKNSA-N -1 0 506.139 5.682 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073116 1070499829 /nfs/dbraw/zinc/49/98/29/1070499829.db2.gz XIUGAXMYMKSJLA-VCHYOVAHSA-N -1 0 569.781 5.220 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084918 1070511243 /nfs/dbraw/zinc/51/12/43/1070511243.db2.gz YADQHNXABMANTI-RIYZIHGNSA-N -1 0 617.752 5.386 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409092929 1070516865 /nfs/dbraw/zinc/51/68/65/1070516865.db2.gz WXTQMEWOBSTOFV-ZDLGFXPLSA-N -1 0 545.857 6.034 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090670 1070525533 /nfs/dbraw/zinc/52/55/33/1070525533.db2.gz NBYOBRSANORGCL-LZYBPNLTSA-N -1 0 734.073 7.360 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000409099053 1070532057 /nfs/dbraw/zinc/53/20/57/1070532057.db2.gz RSPPBFZGHNPCKY-FYJGNVAPSA-N -1 0 563.466 5.727 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409106577 1070541131 /nfs/dbraw/zinc/54/11/31/1070541131.db2.gz MTRDETZTPKKFSC-WPWMEQJKSA-N -1 0 567.667 5.522 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409188802 1070597489 /nfs/dbraw/zinc/59/74/89/1070597489.db2.gz GINUWYOVADSAPK-YDZHTSKRSA-N -1 0 704.945 6.382 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)cc1 ZINC000409186485 1070606852 /nfs/dbraw/zinc/60/68/52/1070606852.db2.gz CQUMZVVEOGJOCN-CIAFOILYSA-N -1 0 570.237 5.765 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)c1 ZINC000409186484 1070606973 /nfs/dbraw/zinc/60/69/73/1070606973.db2.gz CQIYCWSHSLERFY-WSDLNYQXSA-N -1 0 616.331 6.021 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409195809 1070615817 /nfs/dbraw/zinc/61/58/17/1070615817.db2.gz WBRGHFYDOASNCO-YDZHTSKRSA-N -1 0 702.396 6.649 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1 ZINC000409219778 1070642412 /nfs/dbraw/zinc/64/24/12/1070642412.db2.gz QERFWHCGODUDGB-RGVLZGJSSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227166 1070644693 /nfs/dbraw/zinc/64/46/93/1070644693.db2.gz SWCIVFMIMNYDLT-RGVLZGJSSA-N -1 0 633.282 5.839 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409227365 1070644838 /nfs/dbraw/zinc/64/48/38/1070644838.db2.gz ZOSUPTMJLVORFT-VCHYOVAHSA-N -1 0 579.223 5.984 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409239096 1070654761 /nfs/dbraw/zinc/65/47/61/1070654761.db2.gz GHMBZIAPTAFAFM-DGGAMASNSA-N -1 0 521.795 5.263 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl ZINC000409247841 1070664874 /nfs/dbraw/zinc/66/48/74/1070664874.db2.gz CYMQAHWSDGSWGX-PDGQHHTCSA-N -1 0 544.778 5.331 40 10 KKCBRM CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000409249250 1070665682 /nfs/dbraw/zinc/66/56/82/1070665682.db2.gz MZSOSWRTMMXQHI-OVCLIPMQSA-N -1 0 523.836 5.040 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1C ZINC000409258808 1070680503 /nfs/dbraw/zinc/68/05/03/1070680503.db2.gz VMBGFPAPTANSDC-FSGOGVSDSA-N -1 0 575.621 5.566 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1OCC ZINC000409257487 1070677675 /nfs/dbraw/zinc/67/76/75/1070677675.db2.gz RQUOVIQFJUPTPA-OEAKJJBVSA-N -1 0 666.525 5.638 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409258309 1070679823 /nfs/dbraw/zinc/67/98/23/1070679823.db2.gz WEGXIWPNTVWXOL-YBEGLDIGSA-N -1 0 579.223 5.984 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1OCC ZINC000409253058 1070685241 /nfs/dbraw/zinc/68/52/41/1070685241.db2.gz DOJXLULYOJMDFZ-XQNSMLJCSA-N -1 0 578.021 5.211 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409266483 1070690418 /nfs/dbraw/zinc/69/04/18/1070690418.db2.gz ZGFUXPXLXHWSOI-BKUYFWCQSA-N -1 0 608.514 5.313 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000409251629 1070681906 /nfs/dbraw/zinc/68/19/06/1070681906.db2.gz ASSKKGJNXGUPSV-LPYMAVHISA-N -1 0 657.315 5.603 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409251732 1070682461 /nfs/dbraw/zinc/68/24/61/1070682461.db2.gz BHNOPYPYJGLVMF-GIJQJNRQSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1 ZINC000409252176 1070683296 /nfs/dbraw/zinc/68/32/96/1070683296.db2.gz RBUUVADNCVECAR-DJKKODMXSA-N -1 0 586.859 6.256 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267245 1070691737 /nfs/dbraw/zinc/69/17/37/1070691737.db2.gz MSYKCSWNLGTHDQ-DJKKODMXSA-N -1 0 677.733 5.866 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409268307 1070693337 /nfs/dbraw/zinc/69/33/37/1070693337.db2.gz SBRRWHMFJOOAGN-PXLXIMEGSA-N -1 0 578.021 5.211 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409263787 1070700670 /nfs/dbraw/zinc/70/06/70/1070700670.db2.gz MQCILKKITIHRCZ-ODLFYWEKSA-N -1 0 658.259 5.112 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409259863 1070694860 /nfs/dbraw/zinc/69/48/60/1070694860.db2.gz GTIFZRXSWUKXIY-KGENOOAVSA-N -1 0 656.519 6.264 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409261530 1070697771 /nfs/dbraw/zinc/69/77/71/1070697771.db2.gz DMRANEOEHAXGEX-BOPFTXTBSA-N -1 0 694.309 5.989 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409269099 1070703213 /nfs/dbraw/zinc/70/32/13/1070703213.db2.gz FESLNVRJRSXWHX-YUMHPJSZSA-N -1 0 731.543 6.180 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409270252 1070705716 /nfs/dbraw/zinc/70/57/16/1070705716.db2.gz OESTUFDIXSPNDU-CIAFOILYSA-N -1 0 552.414 5.603 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4cc(C)cc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408880620 1070788316 /nfs/dbraw/zinc/78/83/16/1070788316.db2.gz GGOYZRXWZDMTRN-MTDXEUNCSA-N -1 0 518.569 5.500 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408880482 1070788807 /nfs/dbraw/zinc/78/88/07/1070788807.db2.gz KDUZCKQWHNPEPU-GIJQJNRQSA-N -1 0 586.782 5.265 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408880091 1070790175 /nfs/dbraw/zinc/79/01/75/1070790175.db2.gz IYKPYYOUWZIMRP-SFQUDFHCSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408879716 1070792686 /nfs/dbraw/zinc/79/26/86/1070792686.db2.gz FAQCAPNPXFADDN-YDZHTSKRSA-N -1 0 563.448 6.018 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408879910 1070790757 /nfs/dbraw/zinc/79/07/57/1070790757.db2.gz HUSYANSUDXTIEO-PCLIKHOPSA-N -1 0 514.578 5.346 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408879852 1070791848 /nfs/dbraw/zinc/79/18/48/1070791848.db2.gz FTMGCSYCZMMBCI-GZTJUZNOSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408880665 1070786423 /nfs/dbraw/zinc/78/64/23/1070786423.db2.gz GQHIZLQLOCCNKL-CIAFOILYSA-N -1 0 581.394 5.031 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408879567 1070794118 /nfs/dbraw/zinc/79/41/18/1070794118.db2.gz BVFBEYIFCZJQHE-WOJGMQOQSA-N -1 0 513.352 5.788 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408879444 1070794949 /nfs/dbraw/zinc/79/49/49/1070794949.db2.gz GFJKRUCVPAFBOU-UDWIEESQSA-N -1 0 630.866 6.206 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(Cc2ccccc2Br)ccc2ccccc21 ZINC000408878199 1070801012 /nfs/dbraw/zinc/80/10/12/1070801012.db2.gz YADMTZHWZSWCIQ-LFVJCYFKSA-N -1 0 545.820 6.513 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408879288 1070796083 /nfs/dbraw/zinc/79/60/83/1070796083.db2.gz CUZZWSHADDJYRM-RGVLZGJSSA-N -1 0 539.813 5.677 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Br)ccc4ccccc43)C2=O)cc1C ZINC000408878095 1070802202 /nfs/dbraw/zinc/80/22/02/1070802202.db2.gz ZQDRXTBEBNOJRE-YZSQISJMSA-N -1 0 539.429 6.476 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Cc2ccccc2Cl)c1 ZINC000408877554 1070808895 /nfs/dbraw/zinc/80/88/95/1070808895.db2.gz WWNYBGHYYKIFGF-KGENOOAVSA-N -1 0 525.786 5.368 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1Br ZINC000408877878 1070802543 /nfs/dbraw/zinc/80/25/43/1070802543.db2.gz XQTUZKYHRXTMAG-WOJGMQOQSA-N -1 0 564.650 6.667 40 10 KKCBRM COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C1=O ZINC000408877919 1070803148 /nfs/dbraw/zinc/80/31/48/1070803148.db2.gz YBDNLFWHIFWWEL-JJFYIABZSA-N -1 0 573.549 5.495 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cc4ccccc4Br)ccc4ccccc43)C2=O)c1C ZINC000408877910 1070803335 /nfs/dbraw/zinc/80/33/35/1070803335.db2.gz VKJQGIPNFJJJJL-KOEQRZSOSA-N -1 0 539.429 6.476 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3cccc(F)c3)C2=O)cc1 ZINC000408877723 1070804296 /nfs/dbraw/zinc/80/42/96/1070804296.db2.gz UCSXQEBWWSJRLC-HZHRSRAPSA-N -1 0 507.359 5.408 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Cl ZINC000408877845 1070804683 /nfs/dbraw/zinc/80/46/83/1070804683.db2.gz UVPPWZVBVQUJCN-OVVQPSECSA-N -1 0 601.884 6.939 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408877849 1070805047 /nfs/dbraw/zinc/80/50/47/1070805047.db2.gz YVAPSPPWMZNLRI-UDWIEESQSA-N -1 0 509.787 5.668 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408877685 1070806968 /nfs/dbraw/zinc/80/69/68/1070806968.db2.gz SXXVEVYWAZBSFF-JCMHNJIXSA-N -1 0 504.970 5.547 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408889023 1070809484 /nfs/dbraw/zinc/80/94/84/1070809484.db2.gz ATLSEMNJQRWROF-NDZAJKAJSA-N -1 0 576.649 6.527 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1C ZINC000408887881 1070817343 /nfs/dbraw/zinc/81/73/43/1070817343.db2.gz RUKGXPPBSKFYTJ-FYJGNVAPSA-N -1 0 584.264 6.074 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408888532 1070813474 /nfs/dbraw/zinc/81/34/74/1070813474.db2.gz WTFOEDOTSZQYOF-RCCKNPSSSA-N -1 0 500.913 5.878 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408888619 1070814384 /nfs/dbraw/zinc/81/43/84/1070814384.db2.gz XXHQLGAQAAZCMS-YBFXNURJSA-N -1 0 555.370 5.034 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408887767 1070818578 /nfs/dbraw/zinc/81/85/78/1070818578.db2.gz TZEPHRFLSSCNSM-LPYMAVHISA-N -1 0 583.410 5.631 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408887638 1070819892 /nfs/dbraw/zinc/81/98/92/1070819892.db2.gz QATZXUGUIHOWDX-OEAKJJBVSA-N -1 0 549.421 5.710 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408896702 1070827848 /nfs/dbraw/zinc/82/78/48/1070827848.db2.gz HMJCREZZVNNJEX-XKZIYDEJSA-N -1 0 555.414 6.036 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408896746 1070828118 /nfs/dbraw/zinc/82/81/18/1070828118.db2.gz HTLRECLDKKUSTG-NHDPSOOVSA-N -1 0 589.859 6.690 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408896634 1070830076 /nfs/dbraw/zinc/83/00/76/1070830076.db2.gz GSPFTRIDDZEUPO-YQYKVWLJSA-N -1 0 570.645 7.336 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408896675 1070830697 /nfs/dbraw/zinc/83/06/97/1070830697.db2.gz HFMJZROURFHRJL-MOSHPQCFSA-N -1 0 634.302 5.263 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408896645 1070831014 /nfs/dbraw/zinc/83/10/14/1070831014.db2.gz GUNLUIMFBFQFQP-USHMODERSA-N -1 0 555.030 6.918 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408896543 1070832528 /nfs/dbraw/zinc/83/25/28/1070832528.db2.gz OGJSVTXMILPPJY-LFVJCYFKSA-N -1 0 585.410 5.634 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1C ZINC000408896337 1070834137 /nfs/dbraw/zinc/83/41/37/1070834137.db2.gz KLMNJWCPNRZFDK-XKZIYDEJSA-N -1 0 598.291 6.382 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C)c1 ZINC000408896238 1070836051 /nfs/dbraw/zinc/83/60/51/1070836051.db2.gz JSZSFHXUNJMSPD-HMAPJEAMSA-N -1 0 549.421 5.710 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1Cl ZINC000409334247 1070840432 /nfs/dbraw/zinc/84/04/32/1070840432.db2.gz VJOKFPIUSGRUIX-GIJQJNRQSA-N -1 0 510.807 7.011 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408895706 1070841169 /nfs/dbraw/zinc/84/11/69/1070841169.db2.gz FGPRIQZODBANGO-HMAPJEAMSA-N -1 0 660.892 6.378 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408895725 1070841876 /nfs/dbraw/zinc/84/18/76/1070841876.db2.gz FJHIDVYWYNCILF-VEILYXNESA-N -1 0 536.584 5.883 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408895617 1070843148 /nfs/dbraw/zinc/84/31/48/1070843148.db2.gz NPWOIUZUZMUKJM-GIJQJNRQSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408895549 1070843422 /nfs/dbraw/zinc/84/34/22/1070843422.db2.gz IECUVFFVRSGYJW-JAIQZWGSSA-N -1 0 740.186 6.769 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408895498 1070845877 /nfs/dbraw/zinc/84/58/77/1070845877.db2.gz HXPKZZNGIJSSJP-JMIUGGIZSA-N -1 0 590.257 6.318 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408895358 1070847606 /nfs/dbraw/zinc/84/76/06/1070847606.db2.gz HAXQCRORRCEHNJ-BKUYFWCQSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408895226 1070848337 /nfs/dbraw/zinc/84/83/37/1070848337.db2.gz DAHKOJHJZSTWGY-WSDLNYQXSA-N -1 0 610.436 5.288 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408895169 1070848574 /nfs/dbraw/zinc/84/85/74/1070848574.db2.gz MINNFRSFTIMNDJ-UDWIEESQSA-N -1 0 628.317 6.473 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408894848 1070850128 /nfs/dbraw/zinc/85/01/28/1070850128.db2.gz GJQBYVXEJDCSDB-NDENLUEZSA-N -1 0 615.234 5.674 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000408894869 1070851020 /nfs/dbraw/zinc/85/10/20/1070851020.db2.gz GOCZJJBOZXCSII-ODLFYWEKSA-N -1 0 604.682 6.419 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408894521 1070853999 /nfs/dbraw/zinc/85/39/99/1070853999.db2.gz JKPYXZRQHOCTHI-CIAFOILYSA-N -1 0 628.317 6.473 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408894365 1070854553 /nfs/dbraw/zinc/85/45/53/1070854553.db2.gz CFTUQJDSZQFFLI-QRVIBDJDSA-N -1 0 549.421 5.628 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc32)C1=O ZINC000408894238 1070856574 /nfs/dbraw/zinc/85/65/74/1070856574.db2.gz FECVPHOBVJTESJ-IWIPYMOSSA-N -1 0 575.846 6.810 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408893395 1070864412 /nfs/dbraw/zinc/86/44/12/1070864412.db2.gz ABOGOPBSQCMSMJ-CEUNXORHSA-N -1 0 564.638 6.581 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408893548 1070863612 /nfs/dbraw/zinc/86/36/12/1070863612.db2.gz BBIXMPXISFDHFE-CIAFOILYSA-N -1 0 612.864 5.494 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408894127 1070858081 /nfs/dbraw/zinc/85/80/81/1070858081.db2.gz JGSVGRDGQHQUMB-WOJGMQOQSA-N -1 0 647.263 5.616 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409337716 1070859311 /nfs/dbraw/zinc/85/93/11/1070859311.db2.gz YYCGBEDHUVRGLH-FGKIGFKSSA-N -1 0 667.725 6.010 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893865 1070860341 /nfs/dbraw/zinc/86/03/41/1070860341.db2.gz GMHLJCIXDANATD-LPYMAVHISA-N -1 0 660.486 5.049 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408893703 1070862038 /nfs/dbraw/zinc/86/20/38/1070862038.db2.gz HRZGODIAEJVDHV-YZSQISJMSA-N -1 0 569.013 6.173 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408893506 1070863062 /nfs/dbraw/zinc/86/30/62/1070863062.db2.gz AUZFJIWLAWVVMY-MTJSOVHGSA-N -1 0 559.833 6.681 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O[C@H](C)CC ZINC000408893388 1070864671 /nfs/dbraw/zinc/86/46/71/1070864671.db2.gz AAGVDYBCDFPIHL-VGSSETLESA-N -1 0 521.795 5.345 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408893410 1070865597 /nfs/dbraw/zinc/86/55/97/1070865597.db2.gz AEDJLDULYREKAD-MYYYXRDXSA-N -1 0 571.427 6.165 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408893466 1070865726 /nfs/dbraw/zinc/86/57/26/1070865726.db2.gz ASISFXAPIMOALV-USHMODERSA-N -1 0 569.057 7.226 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000408893122 1070867746 /nfs/dbraw/zinc/86/77/46/1070867746.db2.gz KRDWRRSNMNMNEJ-GZTJUZNOSA-N -1 0 515.780 6.201 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892330 1070871994 /nfs/dbraw/zinc/87/19/94/1070871994.db2.gz YRNRKHJXAHVYFB-RGVLZGJSSA-N -1 0 589.453 5.443 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408892405 1070872562 /nfs/dbraw/zinc/87/25/62/1070872562.db2.gz ZFJDQOCMAFHJEO-YBFXNURJSA-N -1 0 616.839 5.815 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408892192 1070873593 /nfs/dbraw/zinc/87/35/93/1070873593.db2.gz HBVPGHFITYEDEU-VCHYOVAHSA-N -1 0 620.681 6.119 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408890787 1070881184 /nfs/dbraw/zinc/88/11/84/1070881184.db2.gz ZEHSZHWQDYHTFT-GZTJUZNOSA-N -1 0 590.257 6.400 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408891331 1070878289 /nfs/dbraw/zinc/87/82/89/1070878289.db2.gz OSEGECYEXRLHAN-FYJGNVAPSA-N -1 0 627.875 5.923 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408890818 1070881896 /nfs/dbraw/zinc/88/18/96/1070881896.db2.gz ZRZMXFNMYRCZFS-VCHYOVAHSA-N -1 0 701.322 5.739 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl ZINC000409365030 1070881897 /nfs/dbraw/zinc/88/18/97/1070881897.db2.gz SFNGMBWZUMFSSJ-RGVLZGJSSA-N -1 0 586.801 5.234 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408890840 1070882178 /nfs/dbraw/zinc/88/21/78/1070882178.db2.gz ZZIVUDDIZBYEJQ-LICLKQGHSA-N -1 0 590.257 6.318 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409365992 1070882520 /nfs/dbraw/zinc/88/25/20/1070882520.db2.gz XAPBDSHLLHMDFS-UDWIEESQSA-N -1 0 617.225 5.035 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408890665 1070882617 /nfs/dbraw/zinc/88/26/17/1070882617.db2.gz XIOWLLIQJACBNN-VCHYOVAHSA-N -1 0 564.194 6.140 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408890673 1070882853 /nfs/dbraw/zinc/88/28/53/1070882853.db2.gz XLCAADFTSBLPJR-YBFXNURJSA-N -1 0 661.290 5.925 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)cc1Cl ZINC000408890201 1070884150 /nfs/dbraw/zinc/88/41/50/1070884150.db2.gz POZYWZLOLDJWFW-VCHYOVAHSA-N -1 0 604.682 6.419 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408890064 1070884954 /nfs/dbraw/zinc/88/49/54/1070884954.db2.gz NECVRQUAVGPDSR-GIJQJNRQSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408889295 1070889785 /nfs/dbraw/zinc/88/97/85/1070889785.db2.gz BMTBTRWUJBDXKU-VXLYETTFSA-N -1 0 600.809 5.655 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)c1 ZINC000408889687 1070886521 /nfs/dbraw/zinc/88/65/21/1070886521.db2.gz IZBXCQYIJCYPFF-XDHOZWIPSA-N -1 0 523.358 5.450 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408889697 1070886729 /nfs/dbraw/zinc/88/67/29/1070886729.db2.gz FWEJRQONQPBULF-HZHRSRAPSA-N -1 0 572.371 5.756 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408889804 1070887530 /nfs/dbraw/zinc/88/75/30/1070887530.db2.gz HFUSLEORGFCJOC-YBFXNURJSA-N -1 0 616.262 5.474 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409372935 1070895808 /nfs/dbraw/zinc/89/58/08/1070895808.db2.gz OAPHNYGHHIUHHM-IMRQLAEWSA-N -1 0 592.449 6.829 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)c(Br)c3)C2=O)cc1OCC ZINC000409384552 1070901885 /nfs/dbraw/zinc/90/18/85/1070901885.db2.gz CZSMGBWPUOKFRD-RCCKNPSSSA-N -1 0 652.498 5.329 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409385278 1070902369 /nfs/dbraw/zinc/90/23/69/1070902369.db2.gz HGNIKOISUKBOJQ-OVVQPSECSA-N -1 0 536.653 6.211 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409387714 1070909625 /nfs/dbraw/zinc/90/96/25/1070909625.db2.gz SKKSQSXWLUADSB-ITYLOYPMSA-N -1 0 612.038 5.612 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000409377341 1070903843 /nfs/dbraw/zinc/90/38/43/1070903843.db2.gz GOEJZYKEOYKJNB-PXLXIMEGSA-N -1 0 521.436 5.422 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409380927 1070906538 /nfs/dbraw/zinc/90/65/38/1070906538.db2.gz CEXQIXHLFQACKI-HYARGMPZSA-N -1 0 522.468 5.559 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408903034 1070906664 /nfs/dbraw/zinc/90/66/64/1070906664.db2.gz OEJFJYUBZFEKRY-BUVRLJJBSA-N -1 0 511.465 5.133 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409388619 1070911001 /nfs/dbraw/zinc/91/10/01/1070911001.db2.gz VMLJAYLFXCBEOR-WGOQTCKBSA-N -1 0 571.098 6.865 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl ZINC000409399849 1070914148 /nfs/dbraw/zinc/91/41/48/1070914148.db2.gz NVOQZFATQLTBJY-NVMNQCDNSA-N -1 0 563.191 5.705 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000409400437 1070914869 /nfs/dbraw/zinc/91/48/69/1070914869.db2.gz QWTRUACEAAQGBW-BOPFTXTBSA-N -1 0 592.671 5.914 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408901688 1070917180 /nfs/dbraw/zinc/91/71/80/1070917180.db2.gz ZPKRPMDQEYFXGI-IWIPYMOSSA-N -1 0 640.474 6.033 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408901571 1070918710 /nfs/dbraw/zinc/91/87/10/1070918710.db2.gz YWVSAORZXNBUCF-IWIPYMOSSA-N -1 0 589.873 7.118 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408901566 1070918819 /nfs/dbraw/zinc/91/88/19/1070918819.db2.gz YVVBTWORECLJEB-MYYYXRDXSA-N -1 0 654.501 6.341 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408901291 1070922522 /nfs/dbraw/zinc/92/25/22/1070922522.db2.gz WVYIDOFRMQZRBI-RRAHZORUSA-N -1 0 520.585 6.264 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408901304 1070922748 /nfs/dbraw/zinc/92/27/48/1070922748.db2.gz XACKDHGAILWMJE-JLPGSUDCSA-N -1 0 555.428 6.465 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408901090 1070923731 /nfs/dbraw/zinc/92/37/31/1070923731.db2.gz VJRCZNAMGOMZFI-ODLFYWEKSA-N -1 0 604.284 6.708 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2cccc(F)c2)C1=O ZINC000408901356 1070923746 /nfs/dbraw/zinc/92/37/46/1070923746.db2.gz XKWCWVHQYFCGCW-MOSHPQCFSA-N -1 0 509.331 5.142 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408900880 1070927920 /nfs/dbraw/zinc/92/79/20/1070927920.db2.gz YNMFYEDCNSSWQP-PXLXIMEGSA-N -1 0 500.913 5.878 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408901108 1070924198 /nfs/dbraw/zinc/92/41/98/1070924198.db2.gz VQXRQXMHEKPWHC-MYYYXRDXSA-N -1 0 563.050 6.390 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408901137 1070924239 /nfs/dbraw/zinc/92/42/39/1070924239.db2.gz WFFQBFMKDIRGEA-XKZIYDEJSA-N -1 0 610.417 5.400 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408901164 1070925105 /nfs/dbraw/zinc/92/51/05/1070925105.db2.gz WMQGWPFQNYMNQY-KQWNVCNZSA-N -1 0 583.866 6.527 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408901177 1070925153 /nfs/dbraw/zinc/92/51/53/1070925153.db2.gz WRBWXTNVRXNVOT-JLPGSUDCSA-N -1 0 500.551 5.038 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408900782 1070927274 /nfs/dbraw/zinc/92/72/74/1070927274.db2.gz UYESUWYZDNAOEW-XKZIYDEJSA-N -1 0 535.394 5.320 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408900755 1070929867 /nfs/dbraw/zinc/92/98/67/1070929867.db2.gz UOLRAVILYBUBLJ-MTJSOVHGSA-N -1 0 539.357 5.151 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408900761 1070930137 /nfs/dbraw/zinc/93/01/37/1070930137.db2.gz UQHLPMYPVDUGIX-IWIPYMOSSA-N -1 0 518.997 5.991 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408900495 1070930982 /nfs/dbraw/zinc/93/09/82/1070930982.db2.gz TUOLYRRREYHDJN-UCQKPKSFSA-N -1 0 563.448 6.018 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)c1 ZINC000408899942 1070939349 /nfs/dbraw/zinc/93/93/49/1070939349.db2.gz QOIGRBLZCYAVDE-LZYBPNLTSA-N -1 0 500.294 5.445 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408899994 1070940025 /nfs/dbraw/zinc/94/00/25/1070940025.db2.gz QXIRLHCLEJXVFL-QQXSKIMKSA-N -1 0 577.077 6.780 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408900060 1070937289 /nfs/dbraw/zinc/93/72/89/1070937289.db2.gz RERMVWQVHSSLDS-PKAZHMFMSA-N -1 0 528.605 5.736 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408900009 1070940284 /nfs/dbraw/zinc/94/02/84/1070940284.db2.gz QYTUTWPHEHGXFV-USHMODERSA-N -1 0 555.030 6.918 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408899571 1070944477 /nfs/dbraw/zinc/94/44/77/1070944477.db2.gz QMSBGGSKWJIOML-ZMOGYAJESA-N -1 0 577.475 6.327 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408899370 1070945816 /nfs/dbraw/zinc/94/58/16/1070945816.db2.gz OUUFZAWAKASBHM-QRVIBDJDSA-N -1 0 617.913 7.470 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000408899817 1070941629 /nfs/dbraw/zinc/94/16/29/1070941629.db2.gz VYQPQIURHODRDR-IWIPYMOSSA-N -1 0 586.398 6.064 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 ZINC000408899652 1070942247 /nfs/dbraw/zinc/94/22/47/1070942247.db2.gz PRPSBQYDTKKCHM-HAHDFKILSA-N -1 0 539.415 6.418 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408899872 1070942352 /nfs/dbraw/zinc/94/23/52/1070942352.db2.gz RHCLKLBIHFIIPP-YBFXNURJSA-N -1 0 539.357 5.151 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408899746 1070943597 /nfs/dbraw/zinc/94/35/97/1070943597.db2.gz QETBAHPKECLGFZ-HAHDFKILSA-N -1 0 520.969 5.383 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408899747 1070943798 /nfs/dbraw/zinc/94/37/98/1070943798.db2.gz QFDCGSPACGOUQC-MOSHPQCFSA-N -1 0 589.851 5.153 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408899296 1070947697 /nfs/dbraw/zinc/94/76/97/1070947697.db2.gz ODDDWPPTHWTWGR-XYGWBWBKSA-N -1 0 599.481 6.863 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408899291 1070947734 /nfs/dbraw/zinc/94/77/34/1070947734.db2.gz OAQXILYBDIROQV-HAHDFKILSA-N -1 0 594.418 5.782 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408899306 1070947819 /nfs/dbraw/zinc/94/78/19/1070947819.db2.gz SYUKQSPOUQDVCK-UUYOSTAYSA-N -1 0 689.344 6.623 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408899283 1070947907 /nfs/dbraw/zinc/94/79/07/1070947907.db2.gz NYQBECAMSHUOAG-STZFKDTASA-N -1 0 569.839 6.137 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408899087 1070949309 /nfs/dbraw/zinc/94/93/09/1070949309.db2.gz SREREOVJPUJHND-ODLFYWEKSA-N -1 0 604.284 6.708 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000408899124 1070950001 /nfs/dbraw/zinc/95/00/01/1070950001.db2.gz SYRDLDKCTRJLGL-WQRHYEAKSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408899003 1070951275 /nfs/dbraw/zinc/95/12/75/1070951275.db2.gz NVQLUCSVDGGZNH-OYKKKHCWSA-N -1 0 711.350 7.159 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408898979 1070951341 /nfs/dbraw/zinc/95/13/41/1070951341.db2.gz NPCOWEFJIFRUDZ-DIBXZPPDSA-N -1 0 506.558 5.874 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408898757 1070952611 /nfs/dbraw/zinc/95/26/11/1070952611.db2.gz MVVNNJGPPPTFDK-RQZCQDPDSA-N -1 0 580.251 6.944 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408898968 1070951454 /nfs/dbraw/zinc/95/14/54/1070951454.db2.gz NMWYJODYKOIWLN-ONUIUJJFSA-N -1 0 514.578 5.428 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408898792 1070952645 /nfs/dbraw/zinc/95/26/45/1070952645.db2.gz MRURNIPDRZSZNO-IMRQLAEWSA-N -1 0 555.030 6.836 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408898606 1070954140 /nfs/dbraw/zinc/95/41/40/1070954140.db2.gz XIYCRWPMYZIEJS-UFFVCSGVSA-N -1 0 525.388 5.864 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408898473 1070955363 /nfs/dbraw/zinc/95/53/63/1070955363.db2.gz LRFDCBVUOPVOBC-OEAKJJBVSA-N -1 0 563.404 5.098 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408898566 1070956077 /nfs/dbraw/zinc/95/60/77/1070956077.db2.gz XADTUMUTGKGKMN-CAOOACKPSA-N -1 0 594.220 6.149 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898328 1070956755 /nfs/dbraw/zinc/95/67/55/1070956755.db2.gz LCTDKUZDAZRSMX-UCQKPKSFSA-N -1 0 552.986 5.912 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408898310 1070956772 /nfs/dbraw/zinc/95/67/72/1070956772.db2.gz KULKHFHXJDBNSP-UUYOSTAYSA-N -1 0 689.344 6.623 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCCC)C2=O)cc1 ZINC000408898304 1070956783 /nfs/dbraw/zinc/95/67/83/1070956783.db2.gz KTVHYNMSRODNIA-HKWRFOASSA-N -1 0 501.377 5.083 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408898384 1070957503 /nfs/dbraw/zinc/95/75/03/1070957503.db2.gz LWOFOBLWEODFEK-RGVLZGJSSA-N -1 0 616.827 5.324 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408897972 1070962825 /nfs/dbraw/zinc/96/28/25/1070962825.db2.gz JZWKGJYOKQEXSU-QRVIBDJDSA-N -1 0 697.323 6.769 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408897837 1070965000 /nfs/dbraw/zinc/96/50/00/1070965000.db2.gz UHMYWKDSVAJIPO-GIJQJNRQSA-N -1 0 633.782 5.107 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408897290 1070967883 /nfs/dbraw/zinc/96/78/83/1070967883.db2.gz ITACHXAMNKMKSQ-JLPGSUDCSA-N -1 0 594.418 5.782 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408897423 1070969079 /nfs/dbraw/zinc/96/90/79/1070969079.db2.gz WWHGUUACRGMHDN-LFVJCYFKSA-N -1 0 561.015 5.544 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408915578 1071007289 /nfs/dbraw/zinc/00/72/89/1071007289.db2.gz YDKNMEOJQJCBNK-FSJBWODESA-N -1 0 575.390 5.995 40 10 KKCBRM CC(C)COc1ccc(CCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)N(CC(=O)[O-])Cc2ccc(N)cc2)cc1 ZINC000585268694 1071014302 /nfs/dbraw/zinc/01/43/02/1071014302.db2.gz ABJSXJUBXJYXRH-XIFFEERXSA-N -1 0 642.200 6.601 40 10 KKCBRM CC(C)COc1ccc(CCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)N(CC(=O)[O-])Cc2ccc(N)cc2)cc1 ZINC000585268693 1071014171 /nfs/dbraw/zinc/01/41/71/1071014171.db2.gz ABJSXJUBXJYXRH-MGBGTMOVSA-N -1 0 642.200 6.601 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408912458 1071024536 /nfs/dbraw/zinc/02/45/36/1071024536.db2.gz GNZHFYDWZYKGOS-CNHKJKLMSA-N -1 0 594.220 6.149 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408911748 1071058782 /nfs/dbraw/zinc/05/87/82/1071058782.db2.gz CZTPAWZFRUMYDN-KEBDBYFISA-N -1 0 665.253 5.837 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408911336 1071061699 /nfs/dbraw/zinc/06/16/99/1071061699.db2.gz MZQYFKSQMQTCKV-DJKKODMXSA-N -1 0 698.226 5.289 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408911642 1071059992 /nfs/dbraw/zinc/05/99/92/1071059992.db2.gz ARSPRHGQNMYSEP-ZMOGYAJESA-N -1 0 636.417 6.228 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408917660 1071145159 /nfs/dbraw/zinc/14/51/59/1071145159.db2.gz ZLEWEKHHAFRFNL-NDENLUEZSA-N -1 0 590.268 5.761 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)ccc1Cl ZINC000408930217 1071163494 /nfs/dbraw/zinc/16/34/94/1071163494.db2.gz UFJSOUGRQWGTTF-ZDLGFXPLSA-N -1 0 501.720 5.154 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408933936 1071199889 /nfs/dbraw/zinc/19/98/89/1071199889.db2.gz CFWIAHGLUZOKLX-WSDLNYQXSA-N -1 0 641.418 5.460 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408934177 1071201805 /nfs/dbraw/zinc/20/18/05/1071201805.db2.gz CSQPOHJZXRFUHL-AFUMVMLFSA-N -1 0 665.899 7.075 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408934192 1071201919 /nfs/dbraw/zinc/20/19/19/1071201919.db2.gz CVJYRRQRYFRHAA-ZDLGFXPLSA-N -1 0 734.874 6.105 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000408936538 1071211554 /nfs/dbraw/zinc/21/15/54/1071211554.db2.gz KXPGVTUAHNTVAN-ZVHZXABRSA-N -1 0 517.368 6.392 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408936021 1071215918 /nfs/dbraw/zinc/21/59/18/1071215918.db2.gz JPBQLYWCDKVPSK-WGOQTCKBSA-N -1 0 587.003 6.312 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408935904 1071217772 /nfs/dbraw/zinc/21/77/72/1071217772.db2.gz ITZZAIXKEYOMGX-ZVHZXABRSA-N -1 0 663.424 5.997 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408935891 1071217871 /nfs/dbraw/zinc/21/78/71/1071217871.db2.gz IQXZGMLKDFKELU-MUFRIFMGSA-N -1 0 689.990 7.942 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000408935498 1071223470 /nfs/dbraw/zinc/22/34/70/1071223470.db2.gz HMJBVGQMDCFMAW-NDENLUEZSA-N -1 0 528.914 6.221 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408935120 1071225314 /nfs/dbraw/zinc/22/53/14/1071225314.db2.gz GUBKLUPCWHFRDJ-CCVNUDIWSA-N -1 0 679.984 8.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408935169 1071226061 /nfs/dbraw/zinc/22/60/61/1071226061.db2.gz HDEYOYYEPIAELN-WPWMEQJKSA-N -1 0 556.977 6.304 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408935078 1071229143 /nfs/dbraw/zinc/22/91/43/1071229143.db2.gz GJVYSOSAJJAQIK-CVKSISIWSA-N -1 0 716.393 7.077 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 ZINC000408933496 1071239920 /nfs/dbraw/zinc/23/99/20/1071239920.db2.gz AJCJEUJLHFYQAZ-UZWMFBFFSA-N -1 0 617.101 7.934 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408933491 1071239939 /nfs/dbraw/zinc/23/99/39/1071239939.db2.gz AICFGJSMMGQFKU-MUFRIFMGSA-N -1 0 645.539 7.833 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408933611 1071241347 /nfs/dbraw/zinc/24/13/47/1071241347.db2.gz BBUNWOYJNXNIPI-YBFXNURJSA-N -1 0 579.756 6.367 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408933542 1071240607 /nfs/dbraw/zinc/24/06/07/1071240607.db2.gz AQYFWUCGRUTENQ-CCVNUDIWSA-N -1 0 771.435 8.438 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408931876 1071257999 /nfs/dbraw/zinc/25/79/99/1071257999.db2.gz RKTFBIQDCVXMSL-JFLMPSFJSA-N -1 0 559.588 6.630 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408942639 1071262507 /nfs/dbraw/zinc/26/25/07/1071262507.db2.gz ZUQIJRUCQKGMQH-QRQIAZFYSA-N -1 0 617.883 6.927 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408946666 1071267085 /nfs/dbraw/zinc/26/70/85/1071267085.db2.gz AUVFGMACVWFKCE-VTNSRFBWSA-N -1 0 648.601 7.895 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408946567 1071269224 /nfs/dbraw/zinc/26/92/24/1071269224.db2.gz AONZNUWGQQPICL-IPPBACCNSA-N -1 0 690.034 8.214 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OC ZINC000408946449 1071270310 /nfs/dbraw/zinc/27/03/10/1071270310.db2.gz AGGNUCAFCVMACT-FOKLQQMPSA-N -1 0 579.491 5.991 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408942852 1071295980 /nfs/dbraw/zinc/29/59/80/1071295980.db2.gz QYDYSQLLTBPGTN-YDZHTSKRSA-N -1 0 557.946 5.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408942156 1071301719 /nfs/dbraw/zinc/30/17/19/1071301719.db2.gz XVXZRQDPJMMSGH-CVKSISIWSA-N -1 0 591.422 6.957 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408941450 1071308335 /nfs/dbraw/zinc/30/83/35/1071308335.db2.gz WPJVPBMWUCEJFN-VUTHCHCSSA-N -1 0 623.492 7.971 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408940917 1071314573 /nfs/dbraw/zinc/31/45/73/1071314573.db2.gz VPDLWBJOEYCLMX-SXGWCWSVSA-N -1 0 597.746 6.506 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408940845 1071313973 /nfs/dbraw/zinc/31/39/73/1071313973.db2.gz VHOCDDOINXYRTN-PKAZHMFMSA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000408940202 1071317360 /nfs/dbraw/zinc/31/73/60/1071317360.db2.gz UOXUPAIOYUIXKI-PCLIKHOPSA-N -1 0 607.877 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 ZINC000408940098 1071318189 /nfs/dbraw/zinc/31/81/89/1071318189.db2.gz UDANILWSWMAIGD-WQRHYEAKSA-N -1 0 518.850 5.743 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408939366 1071323754 /nfs/dbraw/zinc/32/37/54/1071323754.db2.gz RXCGMHDOSKGPPJ-ZMOGYAJESA-N -1 0 686.773 8.234 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408939468 1071324264 /nfs/dbraw/zinc/32/42/64/1071324264.db2.gz MQJJKGSUSRCWOF-WOJGMQOQSA-N -1 0 556.756 5.256 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408937716 1071339409 /nfs/dbraw/zinc/33/94/09/1071339409.db2.gz OFOPBZJJWOUPCJ-LGJNPRDNSA-N -1 0 714.371 8.118 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408937287 1071341001 /nfs/dbraw/zinc/34/10/01/1071341001.db2.gz NVDHQEQNEOCTCY-MFKUBSTISA-N -1 0 635.873 7.066 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000408951124 1071353141 /nfs/dbraw/zinc/35/31/41/1071353141.db2.gz LNAMIDIPEHJKOV-WKULSOCRSA-N -1 0 625.563 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000408949479 1071360490 /nfs/dbraw/zinc/36/04/90/1071360490.db2.gz IDRRNVVNYMDCCA-VULFUBBASA-N -1 0 571.471 6.843 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408950323 1071356407 /nfs/dbraw/zinc/35/64/07/1071356407.db2.gz JFACRNKSOFWELP-IPPBACCNSA-N -1 0 645.583 8.105 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408948418 1071364786 /nfs/dbraw/zinc/36/47/86/1071364786.db2.gz GCVRWPLRCZYOGX-MUFRIFMGSA-N -1 0 567.085 7.053 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408948370 1071366598 /nfs/dbraw/zinc/36/65/98/1071366598.db2.gz FTMPVEBYFLXMGW-CCVNUDIWSA-N -1 0 676.526 7.144 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408947935 1071369084 /nfs/dbraw/zinc/36/90/84/1071369084.db2.gz DSVYWABNAGALQG-BUVRLJJBSA-N -1 0 506.514 5.122 40 10 KKCBRM Cc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408956421 1071377216 /nfs/dbraw/zinc/37/72/16/1071377216.db2.gz WQTYALJKPASYKE-STBIYBPSSA-N -1 0 523.677 6.120 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408947342 1071372214 /nfs/dbraw/zinc/37/22/14/1071372214.db2.gz CCGAWSWJICBTGP-IPPBACCNSA-N -1 0 601.530 7.707 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408956481 1071378079 /nfs/dbraw/zinc/37/80/79/1071378079.db2.gz XINIMNNKTXOKED-OKCVXOCRSA-N -1 0 625.563 7.471 40 10 KKCBRM CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408955881 1071381216 /nfs/dbraw/zinc/38/12/16/1071381216.db2.gz VAGCBZCABWQZCZ-AUEPDCJTSA-N -1 0 597.495 6.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408695078 1071385278 /nfs/dbraw/zinc/38/52/78/1071385278.db2.gz OZBOLWJXXQHQDJ-GIJQJNRQSA-N -1 0 582.278 6.138 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408695065 1071385749 /nfs/dbraw/zinc/38/57/49/1071385749.db2.gz OWCZCAVIEXGANV-GIJQJNRQSA-N -1 0 629.278 5.980 40 10 KKCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408953931 1071392546 /nfs/dbraw/zinc/39/25/46/1071392546.db2.gz QOKPHSFCPGALAX-AFUMVMLFSA-N -1 0 576.535 6.430 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408692911 1071392549 /nfs/dbraw/zinc/39/25/49/1071392549.db2.gz YGLKDFMIRLCJPK-GIJQJNRQSA-N -1 0 582.278 6.138 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408953963 1071393038 /nfs/dbraw/zinc/39/30/38/1071393038.db2.gz QRNFRIPRPVLESL-UFFVCSGVSA-N -1 0 744.279 6.023 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000408954682 1071389467 /nfs/dbraw/zinc/38/94/67/1071389467.db2.gz SGMOHNAIMMYAKA-XODNFHPESA-N -1 0 704.459 8.233 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408692595 1071394104 /nfs/dbraw/zinc/39/41/04/1071394104.db2.gz QGBNPJVOBRROPP-HYARGMPZSA-N -1 0 519.395 5.586 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408954595 1071390914 /nfs/dbraw/zinc/39/09/14/1071390914.db2.gz RWEWWBBAVGCWHS-OCSSWDANSA-N -1 0 546.667 6.708 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408692227 1071395709 /nfs/dbraw/zinc/39/57/09/1071395709.db2.gz HSODYDNYHJRNRP-CAOOACKPSA-N -1 0 615.251 5.590 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408692076 1071396486 /nfs/dbraw/zinc/39/64/86/1071396486.db2.gz CVTFNVDUWBBMEE-LPYMAVHISA-N -1 0 549.421 5.594 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000408953204 1071396906 /nfs/dbraw/zinc/39/69/06/1071396906.db2.gz PBBDOMWTCBFRDJ-HNSNBQBZSA-N -1 0 582.700 7.553 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408953272 1071397121 /nfs/dbraw/zinc/39/71/21/1071397121.db2.gz PMJXCUNMAZQGSD-IPPBACCNSA-N -1 0 672.153 7.030 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408691991 1071397230 /nfs/dbraw/zinc/39/72/30/1071397230.db2.gz APSSQZHLFNOEKF-WGOQTCKBSA-N -1 0 518.013 5.731 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408953337 1071397599 /nfs/dbraw/zinc/39/75/99/1071397599.db2.gz PWNPVSQAPOICFW-AMVVHIIESA-N -1 0 624.568 8.131 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000408965577 1071414142 /nfs/dbraw/zinc/41/41/42/1071414142.db2.gz JAJYJLDCOUDTBU-ONUIUJJFSA-N -1 0 612.513 8.089 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c1 ZINC000408965459 1071414640 /nfs/dbraw/zinc/41/46/40/1071414640.db2.gz HNNREOTVUKHIAK-UDWIEESQSA-N -1 0 526.376 5.244 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000408963374 1071423664 /nfs/dbraw/zinc/42/36/64/1071423664.db2.gz ALNDWLMVXRZSFW-XYGWBWBKSA-N -1 0 535.643 5.956 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c1C ZINC000408960268 1071433597 /nfs/dbraw/zinc/43/35/97/1071433597.db2.gz KLPYVXLUSUAPDU-LPYMAVHISA-N -1 0 522.468 5.559 40 10 KKCBRM COc1cccc(OCCn2cc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c3ccccc32)c1 ZINC000408973834 1071447182 /nfs/dbraw/zinc/44/71/82/1071447182.db2.gz VPBFYZIMRSWUEI-MYYYXRDXSA-N -1 0 530.627 5.833 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408972755 1071449780 /nfs/dbraw/zinc/44/97/80/1071449780.db2.gz WKQDBOHUORNMDF-MTJSOVHGSA-N -1 0 525.991 5.672 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408969896 1071457554 /nfs/dbraw/zinc/45/75/54/1071457554.db2.gz WNEYGULHTYDGLW-XKZIYDEJSA-N -1 0 526.035 6.422 40 10 KKCBRM CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2)cc1 ZINC000408970369 1071455886 /nfs/dbraw/zinc/45/58/86/1071455886.db2.gz GUUOBDZOYJWTQU-UQQQWYQISA-N -1 0 533.671 6.546 40 10 KKCBRM COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OC ZINC000408969271 1071458879 /nfs/dbraw/zinc/45/88/79/1071458879.db2.gz KJMPJMMJOSTAMD-IWIPYMOSSA-N -1 0 537.615 5.266 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408967977 1071463586 /nfs/dbraw/zinc/46/35/86/1071463586.db2.gz WEWXXTRSWZXLJY-LZYBPNLTSA-N -1 0 522.816 6.025 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000408968448 1071461377 /nfs/dbraw/zinc/46/13/77/1071461377.db2.gz YXILECMEKZENRF-GDNBJRDFSA-N -1 0 505.752 5.333 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408967968 1071463674 /nfs/dbraw/zinc/46/36/74/1071463674.db2.gz WDFVVRCRPJHCLS-HYARGMPZSA-N -1 0 510.034 6.061 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408968193 1071463051 /nfs/dbraw/zinc/46/30/51/1071463051.db2.gz XDLIKGYZCZXTNX-AFUMVMLFSA-N -1 0 578.040 6.436 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408967927 1071464976 /nfs/dbraw/zinc/46/49/76/1071464976.db2.gz VTTNBHDJDSNTKW-LCYFTJDESA-N -1 0 506.298 5.132 40 10 KKCBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000408967654 1071465066 /nfs/dbraw/zinc/46/50/66/1071465066.db2.gz RLBSRVWXUOPKDM-KGENOOAVSA-N -1 0 506.400 5.394 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967855 1071465105 /nfs/dbraw/zinc/46/51/05/1071465105.db2.gz VHVBFFFQUXBZGN-HYARGMPZSA-N -1 0 515.367 5.071 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408976554 1071471758 /nfs/dbraw/zinc/47/17/58/1071471758.db2.gz GCEZUYSQKPABPE-GRSHGNNSSA-N -1 0 515.780 6.730 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408986555 1071489338 /nfs/dbraw/zinc/48/93/38/1071489338.db2.gz MYKGOCGFCZSSFO-MOSHPQCFSA-N -1 0 539.813 5.910 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1 ZINC000408985864 1071497025 /nfs/dbraw/zinc/49/70/25/1071497025.db2.gz YNHSTMWPCYAXAY-OYKKKHCWSA-N -1 0 728.324 6.857 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Cl)c3)C2=O)cc1 ZINC000408985717 1071498673 /nfs/dbraw/zinc/49/86/73/1071498673.db2.gz YBHVJSJVYGMPEW-OCKHKDLRSA-N -1 0 539.371 5.530 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408985503 1071499301 /nfs/dbraw/zinc/49/93/01/1071499301.db2.gz XEABFPHBUHIEMC-NVMNQCDNSA-N -1 0 530.781 5.624 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C2=O)cc1Cl ZINC000408985357 1071500455 /nfs/dbraw/zinc/50/04/55/1071500455.db2.gz KLZSPZXNRRWJKQ-NVMNQCDNSA-N -1 0 698.682 6.103 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C2=O)cc1 ZINC000408985099 1071503096 /nfs/dbraw/zinc/50/30/96/1071503096.db2.gz VFJZXLFFTUIFOC-VEILYXNESA-N -1 0 537.591 6.041 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408985075 1071503172 /nfs/dbraw/zinc/50/31/72/1071503172.db2.gz UXGRDJRAUMISDK-JAIQZWGSSA-N -1 0 525.388 5.946 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408985078 1071503185 /nfs/dbraw/zinc/50/31/85/1071503185.db2.gz UYHFTZRKKQURSM-OCKHKDLRSA-N -1 0 529.351 5.695 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)cc1 ZINC000408984950 1071504588 /nfs/dbraw/zinc/50/45/88/1071504588.db2.gz UPXFCEOCUJKAFR-MTJSOVHGSA-N -1 0 580.391 5.174 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408984807 1071505753 /nfs/dbraw/zinc/50/57/53/1071505753.db2.gz SSHDXTXHWMHEIG-LSCVHKIXSA-N -1 0 578.221 6.449 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408984370 1071509423 /nfs/dbraw/zinc/50/94/23/1071509423.db2.gz QFALTSOYAWKXII-MTJSOVHGSA-N -1 0 614.290 6.028 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408984208 1071510794 /nfs/dbraw/zinc/51/07/94/1071510794.db2.gz QACJSYXZOOSZNC-UCQKPKSFSA-N -1 0 563.448 5.964 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408984033 1071512012 /nfs/dbraw/zinc/51/20/12/1071512012.db2.gz PKBYTSLXYDXSCZ-JAIQZWGSSA-N -1 0 584.810 5.819 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408983934 1071514021 /nfs/dbraw/zinc/51/40/21/1071514021.db2.gz OPSNLVHQOVSGLW-CFRMEGHHSA-N -1 0 615.986 6.331 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1Cl ZINC000408983971 1071514069 /nfs/dbraw/zinc/51/40/69/1071514069.db2.gz OXXZMXCBEMOMQT-JJFYIABZSA-N -1 0 701.742 7.414 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408983282 1071518085 /nfs/dbraw/zinc/51/80/85/1071518085.db2.gz LEBFVWCHCXFHCP-UWVJOHFNSA-N -1 0 569.397 5.675 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408982400 1071525986 /nfs/dbraw/zinc/52/59/86/1071525986.db2.gz GVFLFHBQHMFAFT-XKZIYDEJSA-N -1 0 549.967 5.455 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408982586 1071524507 /nfs/dbraw/zinc/52/45/07/1071524507.db2.gz IBWFIEWMLLEKDV-NVMNQCDNSA-N -1 0 529.351 5.695 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408982457 1071526109 /nfs/dbraw/zinc/52/61/09/1071526109.db2.gz DPSGXUHKUTWUFL-OCKHKDLRSA-N -1 0 545.806 6.209 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Br)c(Cl)c4)o3)C2=O)cc1Cl ZINC000408983103 1071521650 /nfs/dbraw/zinc/52/16/50/1071521650.db2.gz KMBAPDJXUGURMI-GDNBJRDFSA-N -1 0 520.166 5.991 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(I)c3)C2=O)cc1Cl ZINC000408982950 1071522555 /nfs/dbraw/zinc/52/25/55/1071522555.db2.gz JBQNEYMHOXUFQM-IUXPMGMMSA-N -1 0 716.672 6.242 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408982907 1071522652 /nfs/dbraw/zinc/52/26/52/1071522652.db2.gz IUSRLQXZTMDWPZ-GRSHGNNSSA-N -1 0 587.829 6.194 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1 ZINC000408982318 1071527138 /nfs/dbraw/zinc/52/71/38/1071527138.db2.gz GNKDVHMLUDSUNL-JAIQZWGSSA-N -1 0 804.160 6.308 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)C2=O)cc1 ZINC000408981870 1071530995 /nfs/dbraw/zinc/53/09/95/1071530995.db2.gz CNRWHOSOKREPEG-XYGWBWBKSA-N -1 0 542.433 5.989 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408981896 1071530608 /nfs/dbraw/zinc/53/06/08/1071530608.db2.gz DMPWODCQEHDOTD-QQXSKIMKSA-N -1 0 599.481 6.809 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722321 1071534519 /nfs/dbraw/zinc/53/45/19/1071534519.db2.gz HEVOTWJUHAFJCO-VIZOYTHASA-N -1 0 682.292 6.595 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722299 1071534541 /nfs/dbraw/zinc/53/45/41/1071534541.db2.gz GSJGXIBSIXZOIH-CNHKJKLMSA-N -1 0 673.743 6.670 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408981330 1071535616 /nfs/dbraw/zinc/53/56/16/1071535616.db2.gz AIQNBTABSNWQAJ-NDENLUEZSA-N -1 0 525.388 5.946 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1 ZINC000408981262 1071535783 /nfs/dbraw/zinc/53/57/83/1071535783.db2.gz ABKFBKFIMFUTCI-JAIQZWGSSA-N -1 0 696.254 5.843 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408721925 1071536793 /nfs/dbraw/zinc/53/67/93/1071536793.db2.gz BJYVRRRQRYEFPG-QGMBQPNBSA-N -1 0 673.743 6.670 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408981930 1071531499 /nfs/dbraw/zinc/53/14/99/1071531499.db2.gz DZIOGWYXVPVZOC-YSMPRRRNSA-N -1 0 574.464 6.955 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408721912 1071536960 /nfs/dbraw/zinc/53/69/60/1071536960.db2.gz BHQKZYAJIFIEKJ-MKMNVTDBSA-N -1 0 668.265 6.205 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408993882 1071562748 /nfs/dbraw/zinc/56/27/48/1071562748.db2.gz XTYUQFCNXJZIAE-ZVHZXABRSA-N -1 0 700.223 7.710 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408993890 1071563320 /nfs/dbraw/zinc/56/33/20/1071563320.db2.gz XVLKNVNVJTXZJE-XSFVSMFZSA-N -1 0 510.531 5.269 40 10 KKCBRM CN1C(=O)[N-]C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C1=O ZINC000408993717 1071563808 /nfs/dbraw/zinc/56/38/08/1071563808.db2.gz FEEIDWKHUCWEIV-XQNSMLJCSA-N -1 0 526.390 5.665 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408992976 1071568273 /nfs/dbraw/zinc/56/82/73/1071568273.db2.gz UHVBFHIRIOQBQE-RCRQRPLWSA-N -1 0 683.793 6.175 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408992620 1071570608 /nfs/dbraw/zinc/57/06/08/1071570608.db2.gz SRNDSYHZHLWABB-KGENOOAVSA-N -1 0 540.626 5.742 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991458 1071579514 /nfs/dbraw/zinc/57/95/14/1071579514.db2.gz OGLKSJJJWALMLX-ZZTJDXDDSA-N -1 0 697.820 6.483 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408991402 1071582142 /nfs/dbraw/zinc/58/21/42/1071582142.db2.gz NTXGIFJWNZINNE-HYARGMPZSA-N -1 0 656.101 6.928 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408991385 1071582176 /nfs/dbraw/zinc/58/21/76/1071582176.db2.gz NQVWSTZCSNEIOG-BUVRLJJBSA-N -1 0 665.778 7.056 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1Cl ZINC000408991238 1071583150 /nfs/dbraw/zinc/58/31/50/1071583150.db2.gz ZKOVIBRSIFVZAX-LSCVHKIXSA-N -1 0 649.679 6.327 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)cc3)C2=O)cc1Cl ZINC000408991071 1071583991 /nfs/dbraw/zinc/58/39/91/1071583991.db2.gz YYJYNIOLKCPIRL-MTJSOVHGSA-N -1 0 572.786 5.498 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000408990943 1071585494 /nfs/dbraw/zinc/58/54/94/1071585494.db2.gz PDMITTSHCDFOAT-UHFFFAOYSA-N -1 0 544.629 5.141 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408990957 1071585520 /nfs/dbraw/zinc/58/55/20/1071585520.db2.gz MDEPSCYTHCRDSW-FGKIGFKSSA-N -1 0 683.793 6.175 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408990211 1071591187 /nfs/dbraw/zinc/59/11/87/1071591187.db2.gz JXPFOIBSMXERDY-SFQUDFHCSA-N -1 0 546.655 5.804 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408989252 1071599042 /nfs/dbraw/zinc/59/90/42/1071599042.db2.gz SWSPYMYOPUKRDF-NVMNQCDNSA-N -1 0 637.257 6.160 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408989045 1071599602 /nfs/dbraw/zinc/59/96/02/1071599602.db2.gz GQWGZCYMLOELFW-LZYBPNLTSA-N -1 0 612.070 6.057 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408988529 1071603082 /nfs/dbraw/zinc/60/30/82/1071603082.db2.gz RCQCZLSBGCEJPM-BKUYFWCQSA-N -1 0 582.394 5.108 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408739260 1071605050 /nfs/dbraw/zinc/60/50/50/1071605050.db2.gz AMIBHXYOYGBZTO-YBFXNURJSA-N -1 0 586.236 5.466 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408987733 1071610744 /nfs/dbraw/zinc/61/07/44/1071610744.db2.gz BTJZORYAJXYEIJ-ZVHZXABRSA-N -1 0 582.663 5.619 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408987755 1071611423 /nfs/dbraw/zinc/61/14/23/1071611423.db2.gz BWPYGJCGZOVQQJ-ZVHZXABRSA-N -1 0 582.663 5.619 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408744271 1071616157 /nfs/dbraw/zinc/61/61/57/1071616157.db2.gz ZGWZSBOOURMVLN-VXLYETTFSA-N -1 0 606.325 6.483 40 10 KKCBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408743724 1071617309 /nfs/dbraw/zinc/61/73/09/1071617309.db2.gz XRUUQNHINWZKFP-WOJGMQOQSA-N -1 0 526.368 5.065 40 10 KKCBRM CC(C)(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408995766 1071621608 /nfs/dbraw/zinc/62/16/08/1071621608.db2.gz DPSDKOCLDHGRQU-CPNJWEJPSA-N -1 0 541.492 6.322 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408743766 1071617943 /nfs/dbraw/zinc/61/79/43/1071617943.db2.gz YAEMKZGQDXRGIJ-VXLYETTFSA-N -1 0 649.304 5.473 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408743166 1071618954 /nfs/dbraw/zinc/61/89/54/1071618954.db2.gz VAILBEKNQXSDDR-RGVLZGJSSA-N -1 0 517.821 6.057 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000408743217 1071619115 /nfs/dbraw/zinc/61/91/15/1071619115.db2.gz ROICFRNKYLOYJI-UQQQWYQISA-N -1 0 568.611 5.829 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408742290 1071621745 /nfs/dbraw/zinc/62/17/45/1071621745.db2.gz VVEKHASWAUVBGD-VAMRJTSQSA-N -1 0 595.655 6.963 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000408743020 1071619549 /nfs/dbraw/zinc/61/95/49/1071619549.db2.gz YOFDHNHLUPWAPP-HZHRSRAPSA-N -1 0 521.367 5.093 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742507 1071621255 /nfs/dbraw/zinc/62/12/55/1071621255.db2.gz RIWWXYGQZIQFNX-RGVLZGJSSA-N -1 0 620.352 6.873 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)cc1 ZINC000408741294 1071626681 /nfs/dbraw/zinc/62/66/81/1071626681.db2.gz IFAQWHHQLGEIOL-VEILYXNESA-N -1 0 582.638 6.219 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408741081 1071626815 /nfs/dbraw/zinc/62/68/15/1071626815.db2.gz NTKBCEGXKKLQOG-FYJGNVAPSA-N -1 0 521.367 5.012 40 10 KKCBRM O=C1C=CC(=NNc2ccccc2)C=C1C=C1C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O ZINC000408741995 1071622811 /nfs/dbraw/zinc/62/28/11/1071622811.db2.gz OTFNWJBBWYUPPS-SSUQSNGBSA-N -1 0 507.369 5.401 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741881 1071623406 /nfs/dbraw/zinc/62/34/06/1071623406.db2.gz LSJAAZUIPAWXDU-PKAZHMFMSA-N -1 0 566.639 6.437 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)c2-c2ccccc2)cc1 ZINC000408741891 1071623467 /nfs/dbraw/zinc/62/34/67/1071623467.db2.gz LVNOEZQBDMJSSB-CEUNXORHSA-N -1 0 597.627 6.605 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408741627 1071625105 /nfs/dbraw/zinc/62/51/05/1071625105.db2.gz REQXEJYGHONQQV-MWAVMZGNSA-N -1 0 632.141 7.473 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)[N-]C2=S)c1 ZINC000408741363 1071625155 /nfs/dbraw/zinc/62/51/55/1071625155.db2.gz LNBGKFVHKGXGLY-RGVLZGJSSA-N -1 0 710.331 5.705 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C2=O)c1 ZINC000408740234 1071631372 /nfs/dbraw/zinc/63/13/72/1071631372.db2.gz JKWFJNROZRTGHA-BRPDVVIDSA-N -1 0 602.488 7.549 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000408740152 1071632037 /nfs/dbraw/zinc/63/20/37/1071632037.db2.gz DQNSYYVEBUYMBC-GDNBJRDFSA-N -1 0 546.786 5.410 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)c1 ZINC000408739912 1071632715 /nfs/dbraw/zinc/63/27/15/1071632715.db2.gz GISIDMMFBWZFOP-YBFXNURJSA-N -1 0 570.237 5.765 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C2=O)cc1 ZINC000409001989 1071642439 /nfs/dbraw/zinc/64/24/39/1071642439.db2.gz ROXWVHVXJOXVCW-WOJGMQOQSA-N -1 0 683.180 7.335 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)[N-]C2=S)cc1 ZINC000408999051 1071655775 /nfs/dbraw/zinc/65/57/75/1071655775.db2.gz JVMCDVYCZQDHMV-WOJGMQOQSA-N -1 0 715.247 7.336 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)c(Cl)c4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408753688 1071656431 /nfs/dbraw/zinc/65/64/31/1071656431.db2.gz BNZNZAGSOGFFAD-UNOMPAQXSA-N -1 0 527.385 5.053 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408751728 1071668513 /nfs/dbraw/zinc/66/85/13/1071668513.db2.gz BYCSXMOINBRRLX-GZTJUZNOSA-N -1 0 547.236 6.138 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409013090 1071681512 /nfs/dbraw/zinc/68/15/12/1071681512.db2.gz MHGTTZIGAOBFQI-DEDYPNTBSA-N -1 0 508.441 5.305 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000408761203 1071694725 /nfs/dbraw/zinc/69/47/25/1071694725.db2.gz CJEFHPIBCAUUHW-LPYMAVHISA-N -1 0 506.400 5.448 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)ccc1Br ZINC000408760742 1071695618 /nfs/dbraw/zinc/69/56/18/1071695618.db2.gz FHFFTWWESUCVHW-BUVRLJJBSA-N -1 0 620.297 6.919 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408760441 1071697382 /nfs/dbraw/zinc/69/73/82/1071697382.db2.gz YRLMGIORKDXLGG-GIJQJNRQSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Cl)C2=O)ccc1Br ZINC000408759032 1071702465 /nfs/dbraw/zinc/70/24/65/1071702465.db2.gz WTZKVQLLJKZUDC-XDHOZWIPSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)ccc1Br ZINC000408760018 1071699150 /nfs/dbraw/zinc/69/91/50/1071699150.db2.gz QAGFQARKWFFSCF-DEDYPNTBSA-N -1 0 570.237 5.765 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)ccc1Br ZINC000408759727 1071700462 /nfs/dbraw/zinc/70/04/62/1071700462.db2.gz KKHJYAZIHJXQAI-GIJQJNRQSA-N -1 0 694.130 6.436 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408759588 1071701537 /nfs/dbraw/zinc/70/15/37/1071701537.db2.gz HNTTYSAZAHXXNY-VCHYOVAHSA-N -1 0 530.781 5.624 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408759205 1071701988 /nfs/dbraw/zinc/70/19/88/1071701988.db2.gz ZSOWATZZSPSGCI-RGVLZGJSSA-N -1 0 648.735 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409026725 1071705928 /nfs/dbraw/zinc/70/59/28/1071705928.db2.gz WFXCOIQMEONPLY-WGOQTCKBSA-N -1 0 662.334 7.036 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc4ccccc4c3)C2=O)ccc1Br ZINC000408758093 1071708317 /nfs/dbraw/zinc/70/83/17/1071708317.db2.gz GNBXMPUSUNLHFE-LFVJCYFKSA-N -1 0 541.401 6.156 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408757687 1071711692 /nfs/dbraw/zinc/71/16/92/1071711692.db2.gz BNWYHOWCJCTDDS-QRVIBDJDSA-N -1 0 650.323 6.927 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408766255 1071720623 /nfs/dbraw/zinc/72/06/23/1071720623.db2.gz AWTKAVIHSUNTGD-VCHYOVAHSA-N -1 0 516.754 5.316 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408766685 1071718656 /nfs/dbraw/zinc/71/86/56/1071718656.db2.gz DYHUFHOANQHZSV-RGVLZGJSSA-N -1 0 604.853 5.364 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)ccc1Br ZINC000408765736 1071722429 /nfs/dbraw/zinc/72/24/29/1071722429.db2.gz NNESNWXFGABFBR-RQZCQDPDSA-N -1 0 667.123 6.667 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408765848 1071722826 /nfs/dbraw/zinc/72/28/26/1071722826.db2.gz QVPSBYZOQPDFJC-CIAFOILYSA-N -1 0 675.317 6.315 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409020800 1071724640 /nfs/dbraw/zinc/72/46/40/1071724640.db2.gz TZPGJCZEQSXRKJ-BRPDVVIDSA-N -1 0 634.555 7.414 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000408765058 1071725561 /nfs/dbraw/zinc/72/55/61/1071725561.db2.gz ZDEFCAPKTRVFLB-FYJGNVAPSA-N -1 0 506.400 5.448 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408762328 1071736340 /nfs/dbraw/zinc/73/63/40/1071736340.db2.gz JZTPZKCRHCPKOP-RGVLZGJSSA-N -1 0 706.287 5.914 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408762396 1071735514 /nfs/dbraw/zinc/73/55/14/1071735514.db2.gz KECCUXDVQBYUDF-MTDXEUNCSA-N -1 0 592.673 6.338 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408761349 1071740782 /nfs/dbraw/zinc/74/07/82/1071740782.db2.gz ISSUTSYNZZFNDE-RGVLZGJSSA-N -1 0 604.242 5.436 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408777000 1071746538 /nfs/dbraw/zinc/74/65/38/1071746538.db2.gz SYXMLEBUIHPYIX-GIJQJNRQSA-N -1 0 608.645 6.250 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408776686 1071748006 /nfs/dbraw/zinc/74/80/06/1071748006.db2.gz PNILFOHQSAPDNX-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408776264 1071749950 /nfs/dbraw/zinc/74/99/50/1071749950.db2.gz XRLWKCWGYFXLMN-UHFFFAOYSA-N -1 0 644.421 6.152 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408776347 1071750422 /nfs/dbraw/zinc/75/04/22/1071750422.db2.gz YZDCCYWABVCWOC-REZTVBANSA-N -1 0 753.545 7.101 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408776338 1071750448 /nfs/dbraw/zinc/75/04/48/1071750448.db2.gz NTSUGKXDXIGUFN-SRZZPIQSSA-N -1 0 508.933 5.350 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408775472 1071755048 /nfs/dbraw/zinc/75/50/48/1071755048.db2.gz QHLVWMNUZISOSV-SRZZPIQSSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000408775155 1071756917 /nfs/dbraw/zinc/75/69/17/1071756917.db2.gz ZJJIRIDRUPMYNJ-OKCVXOCRSA-N -1 0 533.672 6.537 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408774225 1071761835 /nfs/dbraw/zinc/76/18/35/1071761835.db2.gz BGOASJBZRDIEBO-YBFXNURJSA-N -1 0 589.910 5.911 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408774915 1071758984 /nfs/dbraw/zinc/75/89/84/1071758984.db2.gz DOCXZRAXIUDDPD-CAOOACKPSA-N -1 0 691.227 6.871 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408773980 1071764735 /nfs/dbraw/zinc/76/47/35/1071764735.db2.gz NNNUQNRUUVRWMB-VCHYOVAHSA-N -1 0 610.304 6.145 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408773688 1071766282 /nfs/dbraw/zinc/76/62/82/1071766282.db2.gz ITHCJXSPWWPKMT-SRZZPIQSSA-N -1 0 553.384 5.459 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408773388 1071768181 /nfs/dbraw/zinc/76/81/81/1071768181.db2.gz PZUUVJHQSWHSSO-OKCVXOCRSA-N -1 0 563.767 7.010 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)c1 ZINC000408773359 1071767454 /nfs/dbraw/zinc/76/74/54/1071767454.db2.gz PWDJHGLUBIEABI-KEBDBYFISA-N -1 0 710.160 6.678 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408772169 1071774489 /nfs/dbraw/zinc/77/44/89/1071774489.db2.gz BWNWIXICFZAMJV-OEAKJJBVSA-N -1 0 580.891 6.516 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408771473 1071780001 /nfs/dbraw/zinc/78/00/01/1071780001.db2.gz GQPKBSRKWDMJML-ZVHZXABRSA-N -1 0 676.505 6.605 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408772296 1071775591 /nfs/dbraw/zinc/77/55/91/1071775591.db2.gz GFJHBRLHQVBCDZ-AWQFTUOYSA-N -1 0 604.284 6.627 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408772244 1071775623 /nfs/dbraw/zinc/77/56/23/1071775623.db2.gz NCFDQBKZNPMBEX-OEAKJJBVSA-N -1 0 548.824 6.080 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408772003 1071777342 /nfs/dbraw/zinc/77/73/42/1071777342.db2.gz MHZDPPAEPZMPQC-SRZZPIQSSA-N -1 0 535.940 5.119 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408771537 1071780779 /nfs/dbraw/zinc/78/07/79/1071780779.db2.gz HCSZFIRVPHFFMS-LICLKQGHSA-N -1 0 620.294 5.770 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408771273 1071782769 /nfs/dbraw/zinc/78/27/69/1071782769.db2.gz FHYNEIXTHOQDIL-GIDUJCDVSA-N -1 0 670.727 6.681 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408769576 1071791788 /nfs/dbraw/zinc/79/17/88/1071791788.db2.gz VULWZWJVCFDMLP-WSDLNYQXSA-N -1 0 594.418 5.618 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)c1 ZINC000408769643 1071792428 /nfs/dbraw/zinc/79/24/28/1071792428.db2.gz YCWBUJKDWQATSX-UFWORHAWSA-N -1 0 722.273 5.487 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408768509 1071799273 /nfs/dbraw/zinc/79/92/73/1071799273.db2.gz XMPFMLBLJBSOPG-CVKSISIWSA-N -1 0 611.636 6.151 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)c1 ZINC000408782313 1071811929 /nfs/dbraw/zinc/81/19/29/1071811929.db2.gz HHRGNSZAEOKAPB-QGMBQPNBSA-N -1 0 564.252 7.162 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408782184 1071813250 /nfs/dbraw/zinc/81/32/50/1071813250.db2.gz IKLQHIQDCYBHSM-LZYBPNLTSA-N -1 0 683.282 5.869 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408782046 1071813675 /nfs/dbraw/zinc/81/36/75/1071813675.db2.gz FMZRWQIPANIQSH-VCHYOVAHSA-N -1 0 590.257 6.318 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 ZINC000408781507 1071816181 /nfs/dbraw/zinc/81/61/81/1071816181.db2.gz TWUWIMWCJWZLBC-VXLYETTFSA-N -1 0 526.332 5.455 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408781511 1071816229 /nfs/dbraw/zinc/81/62/29/1071816229.db2.gz TXYSUWKXVWMKLR-MFKUBSTISA-N -1 0 585.454 6.555 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408781472 1071818169 /nfs/dbraw/zinc/81/81/69/1071818169.db2.gz ARTWIGNLCFIJGK-CXUHLZMHSA-N -1 0 566.275 6.379 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408780791 1071821792 /nfs/dbraw/zinc/82/17/92/1071821792.db2.gz KOOVNGKHEQDGGO-SRZZPIQSSA-N -1 0 627.391 5.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408781303 1071819346 /nfs/dbraw/zinc/81/93/46/1071819346.db2.gz BXSYKXHLUFDNRK-CIAFOILYSA-N -1 0 614.411 5.691 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408781171 1071819931 /nfs/dbraw/zinc/81/99/31/1071819931.db2.gz AIKOTMDCFWUIFK-VXLYETTFSA-N -1 0 588.227 5.905 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408781180 1071820431 /nfs/dbraw/zinc/82/04/31/1071820431.db2.gz AJZIFLIGWWFTIN-ZVHZXABRSA-N -1 0 571.427 6.165 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409046637 1071829346 /nfs/dbraw/zinc/82/93/46/1071829346.db2.gz KUEVQZQCZJGCFU-VXLYETTFSA-N -1 0 635.652 6.019 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)c1 ZINC000408779986 1071826846 /nfs/dbraw/zinc/82/68/46/1071826846.db2.gz PITFHCVNZSYJDS-UFWORHAWSA-N -1 0 628.273 5.803 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409046679 1071829644 /nfs/dbraw/zinc/82/96/44/1071829644.db2.gz LHUSYZLWCKNXRH-VXLYETTFSA-N -1 0 714.002 6.982 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408779219 1071831456 /nfs/dbraw/zinc/83/14/56/1071831456.db2.gz SHWXOEKTNNVIRK-UFFVCSGVSA-N -1 0 618.311 7.017 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408779036 1071832183 /nfs/dbraw/zinc/83/21/83/1071832183.db2.gz PLTIKMVALRCHEP-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408779157 1071832747 /nfs/dbraw/zinc/83/27/47/1071832747.db2.gz ATNZMDMBRQXILD-RGVLZGJSSA-N -1 0 681.708 6.351 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408778669 1071835884 /nfs/dbraw/zinc/83/58/84/1071835884.db2.gz WBHDZLOVCDVIKQ-VXLYETTFSA-N -1 0 559.775 5.496 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409046113 1071835107 /nfs/dbraw/zinc/83/51/07/1071835107.db2.gz ITSKWTLBCDIFKW-RQZCQDPDSA-N -1 0 574.804 5.339 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409046127 1071835287 /nfs/dbraw/zinc/83/52/87/1071835287.db2.gz IWTVPKUTODQAGY-GIJQJNRQSA-N -1 0 680.282 5.599 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 ZINC000408778111 1071840124 /nfs/dbraw/zinc/84/01/24/1071840124.db2.gz BDMWPEQGHWRWRX-UFFVCSGVSA-N -1 0 640.430 5.281 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408778119 1071840200 /nfs/dbraw/zinc/84/02/00/1071840200.db2.gz BIUYRMYEMAEVKH-DJKKODMXSA-N -1 0 604.284 6.627 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)c1 ZINC000408777934 1071840592 /nfs/dbraw/zinc/84/05/92/1071840592.db2.gz MNIRNMYBLCZUED-KEBDBYFISA-N -1 0 549.377 5.040 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408777951 1071840667 /nfs/dbraw/zinc/84/06/67/1071840667.db2.gz MYLGXLPSTVLYNV-PXLXIMEGSA-N -1 0 516.384 6.426 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409045381 1071840801 /nfs/dbraw/zinc/84/08/01/1071840801.db2.gz YFJPJPPZBTYYPP-QGMBQPNBSA-N -1 0 608.645 6.250 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1 ZINC000409045068 1071842768 /nfs/dbraw/zinc/84/27/68/1071842768.db2.gz YAVZFWPVAMWREU-UDWIEESQSA-N -1 0 634.708 6.509 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408778279 1071838898 /nfs/dbraw/zinc/83/88/98/1071838898.db2.gz SAGBTKLMECMESF-MHWRWJLKSA-N -1 0 547.898 5.891 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409045644 1071839560 /nfs/dbraw/zinc/83/95/60/1071839560.db2.gz GVNDLXNLZGPSNZ-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408777495 1071843280 /nfs/dbraw/zinc/84/32/80/1071843280.db2.gz ARWPQIREGOAYHB-KEBDBYFISA-N -1 0 723.261 5.666 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409044922 1071844045 /nfs/dbraw/zinc/84/40/45/1071844045.db2.gz FHELQESRLRKONB-XDHOZWIPSA-N -1 0 554.386 5.076 40 10 KKCBRM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409044542 1071848883 /nfs/dbraw/zinc/84/88/83/1071848883.db2.gz VUOMWUILRPMKHI-LZYBPNLTSA-N -1 0 556.638 5.566 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000408786409 1071851017 /nfs/dbraw/zinc/85/10/17/1071851017.db2.gz JMCJOFJFTVMRKI-GIJQJNRQSA-N -1 0 763.551 6.557 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409044230 1071851984 /nfs/dbraw/zinc/85/19/84/1071851984.db2.gz UQIKGZAPTFFGKG-JVWAILMASA-N -1 0 676.361 7.344 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408786267 1071852314 /nfs/dbraw/zinc/85/23/14/1071852314.db2.gz NPUFMWCEBGDXLG-LPYMAVHISA-N -1 0 598.462 5.327 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409043759 1071855738 /nfs/dbraw/zinc/85/57/38/1071855738.db2.gz ALSQAJOJDWWDIT-VCHYOVAHSA-N -1 0 572.209 5.163 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)c1C)CCCC2 ZINC000408785877 1071855807 /nfs/dbraw/zinc/85/58/07/1071855807.db2.gz JATLVFKAGBUQTH-UDWIEESQSA-N -1 0 554.093 5.306 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409043873 1071853734 /nfs/dbraw/zinc/85/37/34/1071853734.db2.gz BBHRBSBBYGRSJH-LZYBPNLTSA-N -1 0 659.545 7.417 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408785648 1071856300 /nfs/dbraw/zinc/85/63/00/1071856300.db2.gz XPDZCLWPMWWXMV-YDZHTSKRSA-N -1 0 563.448 6.018 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1 ZINC000408785569 1071857124 /nfs/dbraw/zinc/85/71/24/1071857124.db2.gz ZUJFALKMHUUGMS-YDZHTSKRSA-N -1 0 575.846 6.810 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408785274 1071859001 /nfs/dbraw/zinc/85/90/01/1071859001.db2.gz XWLHJRCAESCZOZ-OEAKJJBVSA-N -1 0 596.421 5.552 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409043418 1071860495 /nfs/dbraw/zinc/86/04/95/1071860495.db2.gz FFSXSOOULRGJQL-VXLYETTFSA-N -1 0 669.551 6.873 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408784624 1071863244 /nfs/dbraw/zinc/86/32/44/1071863244.db2.gz WASCDVMQZVZWLJ-AFUMVMLFSA-N -1 0 585.454 6.473 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1Cl ZINC000409042842 1071863774 /nfs/dbraw/zinc/86/37/74/1071863774.db2.gz CZYQRNLKHULSIX-QGMBQPNBSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408783503 1071870578 /nfs/dbraw/zinc/87/05/78/1071870578.db2.gz LYDLICREEITHBV-BUVRLJJBSA-N -1 0 639.333 7.409 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)c1 ZINC000408784707 1071864084 /nfs/dbraw/zinc/86/40/84/1071864084.db2.gz RYZJWBXXGCGNQF-KEBDBYFISA-N -1 0 529.807 6.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408783320 1071870872 /nfs/dbraw/zinc/87/08/72/1071870872.db2.gz MQNLNTDOZUROQT-WSDLNYQXSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408783786 1071868437 /nfs/dbraw/zinc/86/84/37/1071868437.db2.gz RERMFXYCXYIBBI-FRKPEAEDSA-N -1 0 739.699 7.914 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408787314 1071876144 /nfs/dbraw/zinc/87/61/44/1071876144.db2.gz XHAMUBHIOFMMKU-LZYBPNLTSA-N -1 0 549.820 5.865 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408797188 1071876756 /nfs/dbraw/zinc/87/67/56/1071876756.db2.gz BRMFXQLCECWWBO-SRZZPIQSSA-N -1 0 630.866 6.206 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408783104 1071873664 /nfs/dbraw/zinc/87/36/64/1071873664.db2.gz NEOPCXHYBLAWKN-YBFXNURJSA-N -1 0 554.958 5.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409041020 1071884665 /nfs/dbraw/zinc/88/46/65/1071884665.db2.gz HYPQIDDAMFEMTC-SSDVNMTOSA-N -1 0 640.715 7.264 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000408794732 1071884700 /nfs/dbraw/zinc/88/47/00/1071884700.db2.gz BKNQPSCVZWKEPW-BUVRLJJBSA-N -1 0 557.400 5.862 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408794714 1071884755 /nfs/dbraw/zinc/88/47/55/1071884755.db2.gz BBCYDNACTFFHAG-DJKKODMXSA-N -1 0 606.256 6.106 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409041161 1071883084 /nfs/dbraw/zinc/88/30/84/1071883084.db2.gz ISLINRREASJAOI-MDWZMJQESA-N -1 0 556.638 5.629 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409041115 1071883180 /nfs/dbraw/zinc/88/31/80/1071883180.db2.gz IJYLLDFCYWFSFM-CIAFOILYSA-N -1 0 704.315 5.445 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408796875 1071878032 /nfs/dbraw/zinc/87/80/32/1071878032.db2.gz FBZGCIQSEVUMGQ-WGOQTCKBSA-N -1 0 583.984 6.073 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000408796056 1071880773 /nfs/dbraw/zinc/88/07/73/1071880773.db2.gz DAISYJKXKRZBTL-UDWIEESQSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409039592 1071898788 /nfs/dbraw/zinc/89/87/88/1071898788.db2.gz CRUWYAUMIFTNMK-VXLYETTFSA-N -1 0 625.100 6.764 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408789290 1071896040 /nfs/dbraw/zinc/89/60/40/1071896040.db2.gz INFBNPNEKOQTJA-WPWMEQJKSA-N -1 0 586.511 6.267 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408789497 1071896107 /nfs/dbraw/zinc/89/61/07/1071896107.db2.gz LPBRZGXDSDSOET-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409039722 1071896891 /nfs/dbraw/zinc/89/68/91/1071896891.db2.gz DDXZLWOCOMAALR-RGVLZGJSSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1 ZINC000409039737 1071897090 /nfs/dbraw/zinc/89/70/90/1071897090.db2.gz DFJONRYYFCCQJZ-LICLKQGHSA-N -1 0 579.845 5.698 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(C)C)C2=O)cc1 ZINC000409039716 1071897182 /nfs/dbraw/zinc/89/71/82/1071897182.db2.gz DDJKYVZTQCSGJB-VCHYOVAHSA-N -1 0 566.246 5.312 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408806408 1071904566 /nfs/dbraw/zinc/90/45/66/1071904566.db2.gz MZOYYGXRUZETHS-LPYMAVHISA-N -1 0 518.997 5.909 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408806418 1071904647 /nfs/dbraw/zinc/90/46/47/1071904647.db2.gz DUVRSVGZPDSMTP-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000408805811 1071905772 /nfs/dbraw/zinc/90/57/72/1071905772.db2.gz LRZSFFWNBTURSG-BUVRLJJBSA-N -1 0 512.949 5.753 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408788328 1071899498 /nfs/dbraw/zinc/89/94/98/1071899498.db2.gz DVDRSFYJLUAVIZ-LTGZKZEYSA-N -1 0 532.452 6.591 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408807079 1071901445 /nfs/dbraw/zinc/90/14/45/1071901445.db2.gz KDGQUUPTQSJCNQ-UDWIEESQSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408807000 1071901956 /nfs/dbraw/zinc/90/19/56/1071901956.db2.gz JSVZYPBMTPAIOL-REZTVBANSA-N -1 0 614.696 7.598 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408806839 1071902624 /nfs/dbraw/zinc/90/26/24/1071902624.db2.gz BXDPGVPPBFFVGM-WOJGMQOQSA-N -1 0 590.257 6.400 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408805729 1071906295 /nfs/dbraw/zinc/90/62/95/1071906295.db2.gz LCOXITSFKCVLSN-YDZHTSKRSA-N -1 0 533.024 6.218 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409049455 1071913076 /nfs/dbraw/zinc/91/30/76/1071913076.db2.gz WYAHMMVCJNFQIL-CVKSISIWSA-N -1 0 591.422 6.957 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408805264 1071906976 /nfs/dbraw/zinc/90/69/76/1071906976.db2.gz FPAXNFBZVYZTKF-VXLYETTFSA-N -1 0 665.311 6.859 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408805209 1071907010 /nfs/dbraw/zinc/90/70/10/1071907010.db2.gz JPJDDOINCQFEAI-CIAFOILYSA-N -1 0 594.418 5.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408805064 1071907449 /nfs/dbraw/zinc/90/74/49/1071907449.db2.gz CXZGUCMFRYHWAG-UDWIEESQSA-N -1 0 539.415 6.254 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408805136 1071907991 /nfs/dbraw/zinc/90/79/91/1071907991.db2.gz IRTOGRFWQFBLHO-GIJQJNRQSA-N -1 0 606.256 6.019 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408805112 1071908207 /nfs/dbraw/zinc/90/82/07/1071908207.db2.gz DXNOYCOMVKIYSB-WSDLNYQXSA-N -1 0 641.418 5.460 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408804856 1071908731 /nfs/dbraw/zinc/90/87/31/1071908731.db2.gz BVDXRLTYEAXSIK-RGVLZGJSSA-N -1 0 511.361 5.556 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408804568 1071908753 /nfs/dbraw/zinc/90/87/53/1071908753.db2.gz YKRSHULCRBYQMF-SRZZPIQSSA-N -1 0 661.290 5.925 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409049554 1071913468 /nfs/dbraw/zinc/91/34/68/1071913468.db2.gz WLUDVIOBZUCYGC-CXUHLZMHSA-N -1 0 546.750 5.800 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408802992 1071909803 /nfs/dbraw/zinc/90/98/03/1071909803.db2.gz KBMFGJQIEYGKMB-DJKKODMXSA-N -1 0 637.257 6.160 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408803002 1071909836 /nfs/dbraw/zinc/90/98/36/1071909836.db2.gz KGSHECNZZBMAPR-ZVHZXABRSA-N -1 0 646.481 6.624 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)c(C)c1 ZINC000408803088 1071910581 /nfs/dbraw/zinc/91/05/81/1071910581.db2.gz LDYULBCUGDAMHQ-FYJGNVAPSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408803091 1071910606 /nfs/dbraw/zinc/91/06/06/1071910606.db2.gz LEGYLCCRTABBFH-BUVRLJJBSA-N -1 0 646.481 6.705 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408802743 1071911298 /nfs/dbraw/zinc/91/12/98/1071911298.db2.gz GUUFRKMRVHBLIY-DJKKODMXSA-N -1 0 651.284 6.469 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408802772 1071911344 /nfs/dbraw/zinc/91/13/44/1071911344.db2.gz HFEZPMHFQMHXLB-KEBDBYFISA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OC(C)C ZINC000408802250 1071911937 /nfs/dbraw/zinc/91/19/37/1071911937.db2.gz YQZKGBXODKAQMB-VGOFMYFVSA-N -1 0 589.213 5.450 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409048958 1071914630 /nfs/dbraw/zinc/91/46/30/1071914630.db2.gz UQZDITOTKCZIAP-VXLYETTFSA-N -1 0 608.645 6.250 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409055885 1071924716 /nfs/dbraw/zinc/92/47/16/1071924716.db2.gz JZTVYHXYXKDBOY-CAOOACKPSA-N -1 0 673.572 7.726 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1C ZINC000409055610 1071926512 /nfs/dbraw/zinc/92/65/12/1071926512.db2.gz JMWRWCYPJNYNLH-SRZZPIQSSA-N -1 0 618.709 6.727 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409053407 1071940190 /nfs/dbraw/zinc/94/01/90/1071940190.db2.gz CIPRBPGHYNTGPG-CAOOACKPSA-N -1 0 659.545 7.417 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409052856 1071943894 /nfs/dbraw/zinc/94/38/94/1071943894.db2.gz AYSWFWKZKFUZIR-UBKPWBPPSA-N -1 0 570.643 7.199 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409052890 1071944335 /nfs/dbraw/zinc/94/43/35/1071944335.db2.gz BEZWLDILZAZZCE-OGLMXYFKSA-N -1 0 640.092 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409050078 1071960580 /nfs/dbraw/zinc/96/05/80/1071960580.db2.gz ZXUDQHLMNWFCFL-SRZZPIQSSA-N -1 0 626.891 5.802 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1 ZINC000409050099 1071960710 /nfs/dbraw/zinc/96/07/10/1071960710.db2.gz YUHZFIQEHBWUSH-YBFXNURJSA-N -1 0 604.226 5.605 40 10 KKCBRM CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409049225 1071966714 /nfs/dbraw/zinc/96/67/14/1071966714.db2.gz VSSOTOJFQZIOAA-FRKPEAEDSA-N -1 0 556.638 5.566 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000409049838 1071962814 /nfs/dbraw/zinc/96/28/14/1071962814.db2.gz XZHQRHYQSJLYDZ-CIAFOILYSA-N -1 0 545.806 6.291 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409049602 1071963433 /nfs/dbraw/zinc/96/34/33/1071963433.db2.gz XDLJUWUSDALYHJ-VIZOYTHASA-N -1 0 659.545 7.417 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000409048313 1071972734 /nfs/dbraw/zinc/97/27/34/1071972734.db2.gz SJLCKTWUBDHSSV-DEDYPNTBSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409048760 1071968857 /nfs/dbraw/zinc/96/88/57/1071968857.db2.gz TYQQFVGYVAJFOF-WGOQTCKBSA-N -1 0 637.497 6.315 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(C)C)c(Br)c3)C2=O)cc1Cl ZINC000409048559 1071969908 /nfs/dbraw/zinc/96/99/08/1071969908.db2.gz RYYWHWVWBXNIFI-GIDUJCDVSA-N -1 0 570.665 5.875 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000409048566 1071969955 /nfs/dbraw/zinc/96/99/55/1071969955.db2.gz SAVGEJZTDIWOKC-CIAFOILYSA-N -1 0 525.388 5.946 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409047560 1071978697 /nfs/dbraw/zinc/97/86/97/1071978697.db2.gz OIOUKRAFTQKHBV-QGMBQPNBSA-N -1 0 608.645 6.250 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1Cl ZINC000409048077 1071975609 /nfs/dbraw/zinc/97/56/09/1071975609.db2.gz QZUKGSWMMQXIRD-FSJBWODESA-N -1 0 654.742 7.572 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409047708 1071977804 /nfs/dbraw/zinc/97/78/04/1071977804.db2.gz QCRSYHKASDGANX-RGVLZGJSSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1Cl ZINC000409047656 1071979901 /nfs/dbraw/zinc/97/99/01/1071979901.db2.gz PHOVMHPJILYPSP-GIJQJNRQSA-N -1 0 622.672 6.558 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409058655 1071985492 /nfs/dbraw/zinc/98/54/92/1071985492.db2.gz SKDXYXPXERVNRS-GIJQJNRQSA-N -1 0 536.198 6.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409059249 1071982123 /nfs/dbraw/zinc/98/21/23/1071982123.db2.gz VRVMRSWHPAUTDT-CNHKJKLMSA-N -1 0 659.545 7.417 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409057712 1071992364 /nfs/dbraw/zinc/99/23/64/1071992364.db2.gz QKBBAGRCQVYCCL-KEBDBYFISA-N -1 0 529.807 6.509 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409057542 1071993124 /nfs/dbraw/zinc/99/31/24/1071993124.db2.gz PTWKESIYQUVAJO-FRKPEAEDSA-N -1 0 643.090 6.903 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409057570 1071993633 /nfs/dbraw/zinc/99/36/33/1071993633.db2.gz PZWRVSODEJSMFV-AFUMVMLFSA-N -1 0 741.230 7.799 40 10 KKCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OCc2ccc(I)cc2)c1 ZINC000409063116 1071996975 /nfs/dbraw/zinc/99/69/75/1071996975.db2.gz HEQUTSXYAUDCGD-LFVJCYFKSA-N -1 0 595.437 5.383 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409067250 1071997548 /nfs/dbraw/zinc/99/75/48/1071997548.db2.gz PZNNEZROZUBIRC-RQZCQDPDSA-N -1 0 586.236 5.734 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409067025 1071999078 /nfs/dbraw/zinc/99/90/78/1071999078.db2.gz NJHINGCGPOFHOH-VCHYOVAHSA-N -1 0 596.242 5.190 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064903 1072011425 /nfs/dbraw/zinc/01/14/25/1072011425.db2.gz IYICBVFJCCBCPJ-YBFXNURJSA-N -1 0 596.242 5.190 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409063408 1072022044 /nfs/dbraw/zinc/02/20/44/1072022044.db2.gz BGWHQAICXYLHSN-UHFFFAOYSA-N -1 0 597.421 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409060260 1072035301 /nfs/dbraw/zinc/03/53/01/1072035301.db2.gz YYFRFRBRJTVGTD-RGVLZGJSSA-N -1 0 598.837 5.185 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409060207 1072036500 /nfs/dbraw/zinc/03/65/00/1072036500.db2.gz YJQZFYDMZRSMLD-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409059681 1072038315 /nfs/dbraw/zinc/03/83/15/1072038315.db2.gz WSLVJKNMUSBLIO-YDZHTSKRSA-N -1 0 562.022 5.348 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409059680 1072038450 /nfs/dbraw/zinc/03/84/50/1072038450.db2.gz WRNRPKJJEKSTRD-GIJQJNRQSA-N -1 0 617.206 5.071 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076815 1072047368 /nfs/dbraw/zinc/04/73/68/1072047368.db2.gz BYGNCCRDFYFVDT-YDZHTSKRSA-N -1 0 649.399 6.848 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076819 1072047447 /nfs/dbraw/zinc/04/74/47/1072047447.db2.gz BILVDDNVRNPQAL-LFIBNONCSA-N -1 0 575.883 6.124 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076388 1072052794 /nfs/dbraw/zinc/05/27/94/1072052794.db2.gz BBVWRFSVURYLMA-GIJQJNRQSA-N -1 0 634.361 6.460 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073725 1072073374 /nfs/dbraw/zinc/07/33/74/1072073374.db2.gz HZTWAASOVKKUQI-SFQUDFHCSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C([O-])c1ccc(COc2cccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2)cc1 ZINC000409072242 1072083952 /nfs/dbraw/zinc/08/39/52/1072083952.db2.gz JLAOQLNOBFGJMR-UHFFFAOYSA-N -1 0 518.525 5.547 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409072947 1072078409 /nfs/dbraw/zinc/07/84/09/1072078409.db2.gz WMDKMHDOJYFQCP-VCHYOVAHSA-N -1 0 670.719 5.308 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409072449 1072083545 /nfs/dbraw/zinc/08/35/45/1072083545.db2.gz NOHRKWZYMUEFQW-WOJGMQOQSA-N -1 0 596.242 5.190 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C1=O ZINC000409072196 1072083648 /nfs/dbraw/zinc/08/36/48/1072083648.db2.gz JCZJKMWWHXMWBG-VCHYOVAHSA-N -1 0 565.818 5.389 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070253 1072097007 /nfs/dbraw/zinc/09/70/07/1072097007.db2.gz YLEBWRJTHBZTIQ-VCHYOVAHSA-N -1 0 626.268 5.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069772 1072100090 /nfs/dbraw/zinc/10/00/90/1072100090.db2.gz ACTGHWDMIZQEHY-VCHYOVAHSA-N -1 0 719.589 6.062 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409069422 1072102085 /nfs/dbraw/zinc/10/20/85/1072102085.db2.gz CWIJWOGNUPCUOV-KOEQRZSOSA-N -1 0 640.787 6.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409068009 1072114524 /nfs/dbraw/zinc/11/45/24/1072114524.db2.gz FHQMVUDYPUHOAC-ZXVVBBHZSA-N -1 0 598.633 5.098 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409068739 1072108715 /nfs/dbraw/zinc/10/87/15/1072108715.db2.gz VAKCUFIMCIGIJL-YBFXNURJSA-N -1 0 684.746 5.698 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409067783 1072116483 /nfs/dbraw/zinc/11/64/83/1072116483.db2.gz ZLQDHKDSKLYSDU-PCLIKHOPSA-N -1 0 712.372 6.225 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409067440 1072117429 /nfs/dbraw/zinc/11/74/29/1072117429.db2.gz DCANZPSDTXWOCF-VCHYOVAHSA-N -1 0 574.884 5.359 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409080743 1072120586 /nfs/dbraw/zinc/12/05/86/1072120586.db2.gz MNVZRZFYZQSFCH-NTUHNPAUSA-N -1 0 600.720 7.033 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409080425 1072123275 /nfs/dbraw/zinc/12/32/75/1072123275.db2.gz HXMVQFKRKQQVAD-LZYBPNLTSA-N -1 0 580.302 6.688 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409078821 1072141381 /nfs/dbraw/zinc/14/13/81/1072141381.db2.gz IGBRSCFFFKASCA-CXUHLZMHSA-N -1 0 587.726 5.378 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078241 1072147060 /nfs/dbraw/zinc/14/70/60/1072147060.db2.gz HOPNWPULDACIHZ-WOJGMQOQSA-N -1 0 620.334 6.234 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409078290 1072147724 /nfs/dbraw/zinc/14/77/24/1072147724.db2.gz HGRQBERWSBFZQP-PCLIKHOPSA-N -1 0 580.509 5.541 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409078117 1072148741 /nfs/dbraw/zinc/14/87/41/1072148741.db2.gz HOVIWARANZFQBW-RQZCQDPDSA-N -1 0 557.302 5.577 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086004 1072172095 /nfs/dbraw/zinc/17/20/95/1072172095.db2.gz UINOHRHXVWOJPM-RQZCQDPDSA-N -1 0 712.331 5.984 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409085050 1072181666 /nfs/dbraw/zinc/18/16/66/1072181666.db2.gz RDHSMTAMAJDGCO-WOJGMQOQSA-N -1 0 597.334 5.123 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1C ZINC000409084013 1072192912 /nfs/dbraw/zinc/19/29/12/1072192912.db2.gz XBFNETZTZWLJKB-YBFXNURJSA-N -1 0 536.884 5.232 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409083391 1072202091 /nfs/dbraw/zinc/20/20/91/1072202091.db2.gz VFDPLGMTUHQCJM-XYGWBWBKSA-N -1 0 632.308 7.323 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081681 1072219372 /nfs/dbraw/zinc/21/93/72/1072219372.db2.gz KRSXNOMWCJAOFC-CAOOACKPSA-N -1 0 601.355 5.976 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081704 1072219398 /nfs/dbraw/zinc/21/93/98/1072219398.db2.gz HQBPGZUVZXNXLM-GZTJUZNOSA-N -1 0 566.910 5.322 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409081648 1072222196 /nfs/dbraw/zinc/22/21/96/1072222196.db2.gz KOKONBLWCNQYKD-NTEUORMPSA-N -1 0 610.726 6.488 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081284 1072224010 /nfs/dbraw/zinc/22/40/10/1072224010.db2.gz GWMOQKGWYYKZIE-FRKPEAEDSA-N -1 0 664.752 5.228 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000409097103 1072230594 /nfs/dbraw/zinc/23/05/94/1072230594.db2.gz LNXLMRNCMBPFEQ-WYMPLXKRSA-N -1 0 535.599 5.497 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[N-]C1=S ZINC000409094901 1072243401 /nfs/dbraw/zinc/24/34/01/1072243401.db2.gz AJAINAIYCRFULA-GDNBJRDFSA-N -1 0 546.786 5.410 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409093489 1072253720 /nfs/dbraw/zinc/25/37/20/1072253720.db2.gz ZXMGDXNHANSIQF-DEDYPNTBSA-N -1 0 585.491 5.870 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409093207 1072256957 /nfs/dbraw/zinc/25/69/57/1072256957.db2.gz ZHLMUGVQAKIUNT-FRKPEAEDSA-N -1 0 680.649 6.449 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092521 1072261233 /nfs/dbraw/zinc/26/12/33/1072261233.db2.gz WRVUFWOLMHJTTD-LZYBPNLTSA-N -1 0 732.203 6.448 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409092638 1072259841 /nfs/dbraw/zinc/25/98/41/1072259841.db2.gz VVRKMKHGDZDBGD-CXUHLZMHSA-N -1 0 547.829 5.431 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093354 1072255553 /nfs/dbraw/zinc/25/55/53/1072255553.db2.gz ZAKIJXXJNRHJCJ-LZYBPNLTSA-N -1 0 685.203 6.606 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409090293 1072281077 /nfs/dbraw/zinc/28/10/77/1072281077.db2.gz MDVRMBWHNNJMBA-VIZOYTHASA-N -1 0 711.073 6.249 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409089675 1072288500 /nfs/dbraw/zinc/28/85/00/1072288500.db2.gz JNRGGMCTZLDSNW-FRKPEAEDSA-N -1 0 591.747 6.230 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2-c2ccccc2)cc1 ZINC000409089060 1072293116 /nfs/dbraw/zinc/29/31/16/1072293116.db2.gz MTJFGEHETRWULS-OOAXWGSJSA-N -1 0 650.518 7.961 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088652 1072297168 /nfs/dbraw/zinc/29/71/68/1072297168.db2.gz GECOVZQHBNFCIU-XIHDXPBISA-N -1 0 694.604 5.074 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409088399 1072297680 /nfs/dbraw/zinc/29/76/80/1072297680.db2.gz LLIZKVXCQKFTNA-XDHOZWIPSA-N -1 0 542.886 5.958 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088134 1072300658 /nfs/dbraw/zinc/30/06/58/1072300658.db2.gz DNNHAWUEEKCNHG-LICLKQGHSA-N -1 0 620.334 6.234 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409087485 1072309012 /nfs/dbraw/zinc/30/90/12/1072309012.db2.gz UJBSDXDUGIQQMK-OVCLIPMQSA-N -1 0 566.275 6.379 40 10 KKCBRM Cc1c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409101963 1072312377 /nfs/dbraw/zinc/31/23/77/1072312377.db2.gz ZKSGSGQWGLKUKJ-RGVLZGJSSA-N -1 0 505.448 5.981 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409101558 1072313298 /nfs/dbraw/zinc/31/32/98/1072313298.db2.gz YZKXHMHWRSSZLK-PCLIKHOPSA-N -1 0 574.077 6.605 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)SC2=S)c1 ZINC000409101649 1072313955 /nfs/dbraw/zinc/31/39/55/1072313955.db2.gz WWFATMVTTJTHFZ-FYJGNVAPSA-N -1 0 526.433 6.132 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409100619 1072319727 /nfs/dbraw/zinc/31/97/27/1072319727.db2.gz QTSQETNMANJMKF-LSHDLFTRSA-N -1 0 546.453 6.685 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409099245 1072326797 /nfs/dbraw/zinc/32/67/97/1072326797.db2.gz KILPIHJKTGJEST-YDZHTSKRSA-N -1 0 526.035 6.422 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000409336599 1072328932 /nfs/dbraw/zinc/32/89/32/1072328932.db2.gz QEXPPVPOPRFBRH-UHFFFAOYSA-N -1 0 512.905 5.882 40 10 KKCBRM CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409334324 1072346784 /nfs/dbraw/zinc/34/67/84/1072346784.db2.gz WVCSDBYAHZNTBM-YFHOEESVSA-N -1 0 505.358 5.698 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409104591 1072354820 /nfs/dbraw/zinc/35/48/20/1072354820.db2.gz JWXWGDFMYCMOSG-USHMODERSA-N -1 0 630.682 6.568 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409332166 1072364179 /nfs/dbraw/zinc/36/41/79/1072364179.db2.gz PQNRKDHJNFUFDT-MFOYZWKCSA-N -1 0 542.860 5.366 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)cc1N1CCCC[C@H]1C ZINC000409331371 1072369620 /nfs/dbraw/zinc/36/96/20/1072369620.db2.gz CAANCQSKAFKEMZ-APWPAUIKSA-N -1 0 580.085 6.510 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409330112 1072379934 /nfs/dbraw/zinc/37/99/34/1072379934.db2.gz IUVSKZMELDWBHH-REZTVBANSA-N -1 0 577.305 6.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409108238 1072409577 /nfs/dbraw/zinc/40/95/77/1072409577.db2.gz SQYFYYZRLJSWCX-GZTJUZNOSA-N -1 0 559.236 6.970 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409347023 1072410731 /nfs/dbraw/zinc/41/07/31/1072410731.db2.gz PMJPFZPNTSKERU-FBHDLOMBSA-N -1 0 528.055 6.090 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409124785 1072464310 /nfs/dbraw/zinc/46/43/10/1072464310.db2.gz LQAIOMGOGSXBIP-FYJGNVAPSA-N -1 0 522.468 5.613 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409124869 1072464817 /nfs/dbraw/zinc/46/48/17/1072464817.db2.gz LCGJTLBBZSJTGK-OEAKJJBVSA-N -1 0 670.500 5.728 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409124339 1072467026 /nfs/dbraw/zinc/46/70/26/1072467026.db2.gz BDUCNLNRNUWIAG-LPYMAVHISA-N -1 0 663.532 5.619 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409124112 1072468661 /nfs/dbraw/zinc/46/86/61/1072468661.db2.gz KDQYAEVKVZWUFD-YDZHTSKRSA-N -1 0 704.945 6.382 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC1=S)c1cccs1 ZINC000409338150 1072488934 /nfs/dbraw/zinc/48/89/34/1072488934.db2.gz DWOANONIXJNSDY-HZHRSRAPSA-N -1 0 502.642 6.027 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)[O-])ccc3Cl)C2=O)cc1Br ZINC000409337898 1072492122 /nfs/dbraw/zinc/49/21/22/1072492122.db2.gz YZCCGSYQZXYBTM-XDHOZWIPSA-N -1 0 524.798 6.671 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)C2=O)cc1OC ZINC000409130320 1072515183 /nfs/dbraw/zinc/51/51/83/1072515183.db2.gz HIVBDSZAVSXQRQ-VEILYXNESA-N -1 0 550.611 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409130206 1072515960 /nfs/dbraw/zinc/51/59/60/1072515960.db2.gz IRYRXMNZOMVHHX-WSDLNYQXSA-N -1 0 583.012 5.526 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409128615 1072524858 /nfs/dbraw/zinc/52/48/58/1072524858.db2.gz FVLXIFAPIXINFX-XQNSMLJCSA-N -1 0 579.447 5.488 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409127386 1072531066 /nfs/dbraw/zinc/53/10/66/1072531066.db2.gz HIIAKGNXTVQMPZ-LPYMAVHISA-N -1 0 648.337 6.794 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409351605 1072534535 /nfs/dbraw/zinc/53/45/35/1072534535.db2.gz VAXQRVIJPSAXIX-HMAPJEAMSA-N -1 0 510.662 5.580 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409144341 1072534891 /nfs/dbraw/zinc/53/48/91/1072534891.db2.gz FKNYBVSSFBRHFQ-HZHRSRAPSA-N -1 0 579.993 5.287 40 10 KKCBRM CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N([N-]C(=O)c2cccs2)C1=O ZINC000409350735 1072541786 /nfs/dbraw/zinc/54/17/86/1072541786.db2.gz SINAKGCIINBEHA-FSJBWODESA-N -1 0 524.733 6.161 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409350328 1072543137 /nfs/dbraw/zinc/54/31/37/1072543137.db2.gz RKAJPBCDBABZSQ-NDENLUEZSA-N -1 0 593.521 6.174 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409142265 1072549624 /nfs/dbraw/zinc/54/96/24/1072549624.db2.gz XIVHAJYRLIGZOA-SRZZPIQSSA-N -1 0 603.886 6.685 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409141186 1072555037 /nfs/dbraw/zinc/55/50/37/1072555037.db2.gz MKUMFXIBJVNXLL-VXLYETTFSA-N -1 0 533.414 5.806 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409348238 1072559078 /nfs/dbraw/zinc/55/90/78/1072559078.db2.gz SELAWMWFCAQJBB-JMIUGGIZSA-N -1 0 644.421 7.341 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S)c1cccs1 ZINC000409347573 1072562444 /nfs/dbraw/zinc/56/24/44/1072562444.db2.gz MDHQCLMFJVIPBR-VCHYOVAHSA-N -1 0 543.026 5.822 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1OC ZINC000409138938 1072566980 /nfs/dbraw/zinc/56/69/80/1072566980.db2.gz KENQGQWROKBGBN-LPYMAVHISA-N -1 0 658.343 6.250 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409138362 1072570852 /nfs/dbraw/zinc/57/08/52/1072570852.db2.gz AOZGMYQZBROTRS-AWQFTUOYSA-N -1 0 727.233 7.557 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409366115 1072575234 /nfs/dbraw/zinc/57/52/34/1072575234.db2.gz YEBLRQCLOWZQEO-LPYMAVHISA-N -1 0 670.488 5.468 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409147165 1072577184 /nfs/dbraw/zinc/57/71/84/1072577184.db2.gz VIOOPUFGBNCFHD-LPYMAVHISA-N -1 0 565.022 5.387 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409147000 1072578089 /nfs/dbraw/zinc/57/80/89/1072578089.db2.gz UHECADBWIRRREG-HZHRSRAPSA-N -1 0 613.892 6.141 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000409364940 1072581268 /nfs/dbraw/zinc/58/12/68/1072581268.db2.gz RNJPEETZFUBJBD-UNOMPAQXSA-N -1 0 542.350 5.125 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409363217 1072591065 /nfs/dbraw/zinc/59/10/65/1072591065.db2.gz KIHGTXNPEITEPJ-KEBDBYFISA-N -1 0 586.403 5.524 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409362482 1072594051 /nfs/dbraw/zinc/59/40/51/1072594051.db2.gz GNMQXOYIKYABDU-YSMPRRRNSA-N -1 0 674.479 5.860 40 10 KKCBRM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409156061 1072596746 /nfs/dbraw/zinc/59/67/46/1072596746.db2.gz KFKNZTZEXWCYJJ-YDZHTSKRSA-N -1 0 617.463 6.584 40 10 KKCBRM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)ccc1Cl ZINC000409154844 1072603007 /nfs/dbraw/zinc/60/30/07/1072603007.db2.gz PENJCBLATQUXCF-OYKKKHCWSA-N -1 0 597.045 6.239 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409376964 1072626727 /nfs/dbraw/zinc/62/67/27/1072626727.db2.gz CXBQYHRUAQARHY-CIAFOILYSA-N -1 0 612.477 5.008 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409376655 1072628051 /nfs/dbraw/zinc/62/80/51/1072628051.db2.gz CGZCURPEWCWTFO-DEDYPNTBSA-N -1 0 602.881 5.917 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409376201 1072630203 /nfs/dbraw/zinc/63/02/03/1072630203.db2.gz VWHJPLRLMSPHCZ-LPYMAVHISA-N -1 0 610.486 5.729 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000409375676 1072632254 /nfs/dbraw/zinc/63/22/54/1072632254.db2.gz NVTMBIFSEVKGOF-HYARGMPZSA-N -1 0 600.332 6.184 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409374514 1072637412 /nfs/dbraw/zinc/63/74/12/1072637412.db2.gz ROEKPFWXCBKLLC-YDZHTSKRSA-N -1 0 575.415 5.835 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409374480 1072637428 /nfs/dbraw/zinc/63/74/28/1072637428.db2.gz QTJHICXXUDIXFV-YDZHTSKRSA-N -1 0 622.415 5.677 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000409374482 1072637536 /nfs/dbraw/zinc/63/75/36/1072637536.db2.gz QUKCWROAKLDMNK-VXLYETTFSA-N -1 0 651.251 5.286 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409374548 1072638150 /nfs/dbraw/zinc/63/81/50/1072638150.db2.gz SOXNWZONVHWNNE-CAOOACKPSA-N -1 0 549.794 5.880 40 10 KKCBRM Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409374351 1072638640 /nfs/dbraw/zinc/63/86/40/1072638640.db2.gz NEWPRFAYQGQCSV-SRZZPIQSSA-N -1 0 524.982 5.898 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409148622 1072641814 /nfs/dbraw/zinc/64/18/14/1072641814.db2.gz ZVHBEIJPIBVNJR-HZHRSRAPSA-N -1 0 658.343 6.250 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148500 1072642922 /nfs/dbraw/zinc/64/29/22/1072642922.db2.gz QBIBHMXZHIAQRN-ZVHZXABRSA-N -1 0 593.076 6.086 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409148191 1072644385 /nfs/dbraw/zinc/64/43/85/1072644385.db2.gz XOWLLULSADLAPL-CVKSISIWSA-N -1 0 706.533 6.491 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000409372215 1072647016 /nfs/dbraw/zinc/64/70/16/1072647016.db2.gz JMBIWDNVLNSYCC-LPYMAVHISA-N -1 0 531.362 5.436 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409371849 1072647739 /nfs/dbraw/zinc/64/77/39/1072647739.db2.gz JAKTUZKMIIUSQC-IMRQLAEWSA-N -1 0 558.550 5.975 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000409370530 1072653483 /nfs/dbraw/zinc/65/34/83/1072653483.db2.gz SIVQAEKYCWCTFS-UZUMKDMXSA-N -1 0 531.472 5.419 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)C1=O ZINC000409370309 1072655353 /nfs/dbraw/zinc/65/53/53/1072655353.db2.gz ORFRELVBFBYUIE-WJDWOHSUSA-N -1 0 586.801 5.234 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409370067 1072655933 /nfs/dbraw/zinc/65/59/33/1072655933.db2.gz KJWXSPQWKJYLJW-FYJGNVAPSA-N -1 0 599.934 6.474 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409164401 1072660037 /nfs/dbraw/zinc/66/00/37/1072660037.db2.gz HZFXAMYFJQPZIW-UNVFRBQDSA-N -1 0 554.868 7.523 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409378585 1072675270 /nfs/dbraw/zinc/67/52/70/1072675270.db2.gz QKPAAUWIOBZUIB-LPYMAVHISA-N -1 0 565.489 5.739 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12 ZINC000409161668 1072676755 /nfs/dbraw/zinc/67/67/55/1072676755.db2.gz OPSJIGOCJIKIQH-WSDLNYQXSA-N -1 0 532.369 5.253 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409378217 1072676824 /nfs/dbraw/zinc/67/68/24/1072676824.db2.gz NKAJIXKCSXOMLY-QRQIAZFYSA-N -1 0 656.091 6.010 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160409 1072682316 /nfs/dbraw/zinc/68/23/16/1072682316.db2.gz WYLJNVVWUPUHSW-ANSQWYIGSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160417 1072682944 /nfs/dbraw/zinc/68/29/44/1072682944.db2.gz WYLJNVVWUPUHSW-UDCNLSRBSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409386576 1072685648 /nfs/dbraw/zinc/68/56/48/1072685648.db2.gz NALQFKOOCVVTHY-ATVHPVEESA-N -1 0 598.837 5.103 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386009 1072689547 /nfs/dbraw/zinc/68/95/47/1072689547.db2.gz PXQUEQUZUDBIFD-UHFFFAOYSA-N -1 0 538.512 5.149 40 10 KKCBRM Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384888 1072696524 /nfs/dbraw/zinc/69/65/24/1072696524.db2.gz FLXADIZZXUQCGL-NDENLUEZSA-N -1 0 597.491 5.027 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166575 1072703217 /nfs/dbraw/zinc/70/32/17/1072703217.db2.gz FMONTBCBLSICCP-RHGYRFJNSA-N -1 0 540.841 7.215 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409383265 1072703813 /nfs/dbraw/zinc/70/38/13/1072703813.db2.gz VPRHLEBYOFBOKY-FYJGNVAPSA-N -1 0 647.332 6.026 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Br)cc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409383067 1072704216 /nfs/dbraw/zinc/70/42/16/1072704216.db2.gz RAMCCSMUTJPGFT-CIAFOILYSA-N -1 0 630.358 6.193 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409382437 1072706526 /nfs/dbraw/zinc/70/65/26/1072706526.db2.gz MJCQRFNZESXDGG-RDRPBHBLSA-N -1 0 553.659 6.206 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409382037 1072708477 /nfs/dbraw/zinc/70/84/77/1072708477.db2.gz XJAWPWWGDBOLOK-YBEGLDIGSA-N -1 0 619.255 5.448 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(I)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381284 1072712332 /nfs/dbraw/zinc/71/23/32/1072712332.db2.gz SQDQWJFTUGYMRU-CIAFOILYSA-N -1 0 724.358 5.877 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381194 1072713530 /nfs/dbraw/zinc/71/35/30/1072713530.db2.gz SDJFHOWIVNMYNC-VXLYETTFSA-N -1 0 667.352 6.579 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409380943 1072715454 /nfs/dbraw/zinc/71/54/54/1072715454.db2.gz PZYKZBHCJNKYAU-UNOMPAQXSA-N -1 0 584.412 5.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000409380509 1072717686 /nfs/dbraw/zinc/71/76/86/1072717686.db2.gz NCJINONSGCLOEQ-FYJGNVAPSA-N -1 0 583.479 5.960 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000409380416 1072717835 /nfs/dbraw/zinc/71/78/35/1072717835.db2.gz MPYHWIGSKDCMDR-LPYMAVHISA-N -1 0 646.934 6.316 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409379818 1072720558 /nfs/dbraw/zinc/72/05/58/1072720558.db2.gz ZUKRWSJRMDRBFP-HYARGMPZSA-N -1 0 582.463 5.572 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409380076 1072720619 /nfs/dbraw/zinc/72/06/19/1072720619.db2.gz HAHADRFWXVTSRW-LPYMAVHISA-N -1 0 583.479 5.960 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409379803 1072722306 /nfs/dbraw/zinc/72/23/06/1072722306.db2.gz ZZBCKDMQWARBTB-VCHYOVAHSA-N -1 0 628.863 5.112 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409379484 1072723180 /nfs/dbraw/zinc/72/31/80/1072723180.db2.gz YDZVLHWZMGUNCO-UQQQWYQISA-N -1 0 595.583 5.097 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409392501 1072726113 /nfs/dbraw/zinc/72/61/13/1072726113.db2.gz MYGORWVDDBLEBN-WGOQTCKBSA-N -1 0 526.980 5.388 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409400442 1072745150 /nfs/dbraw/zinc/74/51/50/1072745150.db2.gz QXYOQMAJPCMDGJ-ZDLGFXPLSA-N -1 0 561.219 5.235 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409400464 1072745559 /nfs/dbraw/zinc/74/55/59/1072745559.db2.gz RIJRTSRELYTVEQ-UNOMPAQXSA-N -1 0 572.799 5.450 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000409399855 1072747621 /nfs/dbraw/zinc/74/76/21/1072747621.db2.gz NZORVILKJPVIIJ-YVLHZVERSA-N -1 0 640.190 5.075 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1cccc(F)c1 ZINC000409399494 1072749555 /nfs/dbraw/zinc/74/95/55/1072749555.db2.gz JEFSUVQUFQDQMC-ODLFYWEKSA-N -1 0 633.268 5.228 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409399397 1072750225 /nfs/dbraw/zinc/75/02/25/1072750225.db2.gz HWTSGVQNTPDESI-WQRHYEAKSA-N -1 0 558.772 5.060 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409398820 1072751119 /nfs/dbraw/zinc/75/11/19/1072751119.db2.gz DCJKXCMPESVHPL-YVLHZVERSA-N -1 0 562.645 5.905 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Br)cc1 ZINC000409398841 1072751455 /nfs/dbraw/zinc/75/14/55/1072751455.db2.gz DJIXXGNDICDTDN-UNOMPAQXSA-N -1 0 651.149 6.413 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(F)cc1 ZINC000409398376 1072752510 /nfs/dbraw/zinc/75/25/10/1072752510.db2.gz ACERQVOUGFRHGD-UNOMPAQXSA-N -1 0 590.243 5.790 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409168304 1072755720 /nfs/dbraw/zinc/75/57/20/1072755720.db2.gz MKXMZDVQAQDJMH-YPCHGGDPSA-N -1 0 609.731 8.522 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186233 1072762148 /nfs/dbraw/zinc/76/21/48/1072762148.db2.gz ZFDPWUMSCSKPLA-GGVRFBKHSA-N -1 0 734.572 6.298 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185986 1072765443 /nfs/dbraw/zinc/76/54/43/1072765443.db2.gz UJJAGBMDZPHYCY-GGVRFBKHSA-N -1 0 677.020 7.201 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185560 1072770230 /nfs/dbraw/zinc/77/02/30/1072770230.db2.gz MNGNJTVSKAOTMY-UTRUUVAFSA-N -1 0 621.715 5.543 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185613 1072770783 /nfs/dbraw/zinc/77/07/83/1072770783.db2.gz NKCWFLOWBRVYNF-BSPUBTSWSA-N -1 0 700.213 6.595 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)cc1C ZINC000409185089 1072772015 /nfs/dbraw/zinc/77/20/15/1072772015.db2.gz RYADGNNUTAKECZ-WSDLNYQXSA-N -1 0 584.264 6.074 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183780 1072780820 /nfs/dbraw/zinc/78/08/20/1072780820.db2.gz DJGGECFAEBWJRX-UPQXCOSDSA-N -1 0 621.715 5.543 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183632 1072782311 /nfs/dbraw/zinc/78/23/11/1072782311.db2.gz CRPUMKZMSWRTPK-KGZYNADJSA-N -1 0 730.637 6.314 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183574 1072783473 /nfs/dbraw/zinc/78/34/73/1072783473.db2.gz CALVORJSLSKWMH-DKDMBQFYSA-N -1 0 853.735 7.970 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183564 1072783525 /nfs/dbraw/zinc/78/35/25/1072783525.db2.gz BWRCGNMAKQKKNO-KGZYNADJSA-N -1 0 777.637 6.156 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCC(=O)[O-])cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183038 1072786278 /nfs/dbraw/zinc/78/62/78/1072786278.db2.gz AAUMFDIYDQEJDF-KGZYNADJSA-N -1 0 730.637 6.314 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409408494 1072815775 /nfs/dbraw/zinc/81/57/75/1072815775.db2.gz QXUYKSHGKQIGFV-ODLFYWEKSA-N -1 0 513.775 5.152 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Br ZINC000409194029 1072846444 /nfs/dbraw/zinc/84/64/44/1072846444.db2.gz KKGPXOMYNGLKOK-CPNJWEJPSA-N -1 0 545.430 5.087 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409193406 1072850235 /nfs/dbraw/zinc/85/02/35/1072850235.db2.gz KCQQDEPKXDOTGD-YDZHTSKRSA-N -1 0 641.490 6.025 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409192010 1072858685 /nfs/dbraw/zinc/85/86/85/1072858685.db2.gz SHFKAJHIALLWSG-JVWAILMASA-N -1 0 629.109 6.930 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409191311 1072864302 /nfs/dbraw/zinc/86/43/02/1072864302.db2.gz VENPXMNDOPUCAO-MTDXEUNCSA-N -1 0 594.664 6.277 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190861 1072867828 /nfs/dbraw/zinc/86/78/28/1072867828.db2.gz XDYSGJGSMRBTCS-LFVJCYFKSA-N -1 0 643.114 5.356 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409190540 1072869290 /nfs/dbraw/zinc/86/92/90/1072869290.db2.gz ZECCMZXSNXUZIJ-LFVJCYFKSA-N -1 0 611.464 6.017 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OC)C2=O)cc1OCC ZINC000409190359 1072869787 /nfs/dbraw/zinc/86/97/87/1072869787.db2.gz XOKLLXRJVHDNHW-GZTJUZNOSA-N -1 0 596.272 5.070 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)cc1C ZINC000409189323 1072876638 /nfs/dbraw/zinc/87/66/38/1072876638.db2.gz JGYQQFFTPMJYQN-WSDLNYQXSA-N -1 0 600.332 6.239 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409189006 1072878333 /nfs/dbraw/zinc/87/83/33/1072878333.db2.gz MQYHGOFXVIBNPR-OEAKJJBVSA-N -1 0 627.919 6.531 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12 ZINC000409206754 1072890459 /nfs/dbraw/zinc/89/04/59/1072890459.db2.gz XDWCQPCYDCGPOQ-NHDPSOOVSA-N -1 0 526.818 5.510 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409206459 1072892341 /nfs/dbraw/zinc/89/23/41/1072892341.db2.gz JVFXYAWCSYSOSJ-XYGWBWBKSA-N -1 0 530.606 5.558 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409206155 1072893874 /nfs/dbraw/zinc/89/38/74/1072893874.db2.gz MPIZIPPDBMWPGH-KOEQRZSOSA-N -1 0 522.582 6.010 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)o2)c1 ZINC000409200164 1072923273 /nfs/dbraw/zinc/92/32/73/1072923273.db2.gz QSBYUSJXMZWSNA-VCHYOVAHSA-N -1 0 520.813 6.467 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000409207497 1072942782 /nfs/dbraw/zinc/94/27/82/1072942782.db2.gz VGPDGBNLLYWLTC-DJKKODMXSA-N -1 0 596.242 6.389 40 10 KKCBRM Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409209706 1072968040 /nfs/dbraw/zinc/96/80/40/1072968040.db2.gz HYCKPGSALLYFBA-UHFFFAOYSA-N -1 0 505.530 5.376 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000409227261 1072970717 /nfs/dbraw/zinc/97/07/17/1072970717.db2.gz YRXLQSHGTZMEMN-HZHRSRAPSA-N -1 0 622.472 5.239 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409226675 1072973055 /nfs/dbraw/zinc/97/30/55/1072973055.db2.gz QVEDTOVRPKKIQG-GIJQJNRQSA-N -1 0 680.282 5.599 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000409226495 1072974566 /nfs/dbraw/zinc/97/45/66/1072974566.db2.gz UKUIFFHQEQMLFI-OEAKJJBVSA-N -1 0 622.472 5.239 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409225289 1072979787 /nfs/dbraw/zinc/97/97/87/1072979787.db2.gz OBADCDYRKXLSEC-HZHRSRAPSA-N -1 0 636.499 5.629 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1 ZINC000409223809 1072986320 /nfs/dbraw/zinc/98/63/20/1072986320.db2.gz IFDUBGSPNZGPFC-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409223558 1072987927 /nfs/dbraw/zinc/98/79/27/1072987927.db2.gz GWQDRMOHIMFZKM-GIJQJNRQSA-N -1 0 560.777 5.036 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000409223122 1072989653 /nfs/dbraw/zinc/98/96/53/1072989653.db2.gz HACCZJQTAJCNKN-CIAFOILYSA-N -1 0 568.413 5.384 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223105 1072989706 /nfs/dbraw/zinc/98/97/06/1072989706.db2.gz GTBWAMHENKAHRF-CIAFOILYSA-N -1 0 584.412 5.085 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1 ZINC000409222646 1072992334 /nfs/dbraw/zinc/99/23/34/1072992334.db2.gz CVRCMABGZVOVQG-XDHOZWIPSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000409222470 1072992867 /nfs/dbraw/zinc/99/28/67/1072992867.db2.gz CYLARKNDCSQSRL-HYARGMPZSA-N -1 0 598.837 5.185 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1 ZINC000409222335 1072993789 /nfs/dbraw/zinc/99/37/89/1072993789.db2.gz CMWNCPVHBGDZGI-DJKKODMXSA-N -1 0 658.259 5.112 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409221862 1072996574 /nfs/dbraw/zinc/99/65/74/1072996574.db2.gz BHRRGWVAFKBNIZ-KEBDBYFISA-N -1 0 612.864 5.412 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409221748 1072997070 /nfs/dbraw/zinc/99/70/70/1072997070.db2.gz VARWXKPMSUBZAQ-GDNBJRDFSA-N -1 0 521.860 5.358 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409220850 1073001708 /nfs/dbraw/zinc/00/17/08/1073001708.db2.gz GTDBRLCPJWNMSH-YBEGLDIGSA-N -1 0 504.826 5.886 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219993 1073006381 /nfs/dbraw/zinc/00/63/81/1073006381.db2.gz XABJBLJRHYPLLV-WPWMEQJKSA-N -1 0 612.038 5.612 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409218882 1073011267 /nfs/dbraw/zinc/01/12/67/1073011267.db2.gz IEROTWDQHIHXJF-AFUMVMLFSA-N -1 0 739.804 7.128 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409218792 1073011467 /nfs/dbraw/zinc/01/14/67/1073011467.db2.gz KVDFYYULLYJCCU-YBFXNURJSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409229571 1073020768 /nfs/dbraw/zinc/02/07/68/1073020768.db2.gz RFFRUKCGTXWNTP-BKUYFWCQSA-N -1 0 569.468 5.455 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409228539 1073027783 /nfs/dbraw/zinc/02/77/83/1073027783.db2.gz BIEJOCSJCOZYGI-XKZIYDEJSA-N -1 0 518.342 5.258 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409227730 1073030398 /nfs/dbraw/zinc/03/03/98/1073030398.db2.gz VULSXDBWUMGRJT-LPYMAVHISA-N -1 0 733.943 5.825 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409236693 1073037502 /nfs/dbraw/zinc/03/75/02/1073037502.db2.gz GHVNWLSTFCZHRD-RGVLZGJSSA-N -1 0 538.818 6.625 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409236092 1073040888 /nfs/dbraw/zinc/04/08/88/1073040888.db2.gz QXOCGNMZZGYPMF-UNOMPAQXSA-N -1 0 573.818 5.635 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409235772 1073042307 /nfs/dbraw/zinc/04/23/07/1073042307.db2.gz QLLOMMIUUCCSAD-LPYMAVHISA-N -1 0 529.021 5.073 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409235684 1073043248 /nfs/dbraw/zinc/04/32/48/1073043248.db2.gz CWMKYVBTLPQIRQ-KEBDBYFISA-N -1 0 595.384 5.549 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409234661 1073049641 /nfs/dbraw/zinc/04/96/41/1073049641.db2.gz OPSSNRSYEDNFGB-WSDLNYQXSA-N -1 0 530.993 5.391 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409232669 1073059067 /nfs/dbraw/zinc/05/90/67/1073059067.db2.gz BCGCBADRLIDTHW-LGJNPRDNSA-N -1 0 644.502 7.830 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409232214 1073061731 /nfs/dbraw/zinc/06/17/31/1073061731.db2.gz PAOUJCSJVBBSSB-FYJGNVAPSA-N -1 0 534.468 6.445 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409230234 1073071023 /nfs/dbraw/zinc/07/10/23/1073071023.db2.gz CONSSEQOPKZOOR-JAIQZWGSSA-N -1 0 595.384 5.549 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409245878 1073081562 /nfs/dbraw/zinc/08/15/62/1073081562.db2.gz AHIWKYQYUHZFRH-HYARGMPZSA-N -1 0 500.023 5.791 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409245912 1073081659 /nfs/dbraw/zinc/08/16/59/1073081659.db2.gz ATXQWXQNRPCOEM-BOPFTXTBSA-N -1 0 521.314 5.559 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)o2)ccc1Cl ZINC000409244163 1073090728 /nfs/dbraw/zinc/09/07/28/1073090728.db2.gz YUTLWRNLAPNHAE-GRSHGNNSSA-N -1 0 500.891 5.112 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O ZINC000409243982 1073090977 /nfs/dbraw/zinc/09/09/77/1073090977.db2.gz VUPXUXAIJBTLNI-WGOQTCKBSA-N -1 0 604.490 7.045 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409243822 1073091452 /nfs/dbraw/zinc/09/14/52/1073091452.db2.gz UTNSNRQBMBCIPB-QQXSKIMKSA-N -1 0 545.586 6.611 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409243707 1073092041 /nfs/dbraw/zinc/09/20/41/1073092041.db2.gz ZRNYPLLLUCQRAN-CXUHLZMHSA-N -1 0 587.826 6.697 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409243400 1073093326 /nfs/dbraw/zinc/09/33/26/1073093326.db2.gz WDUBXFNOQLZZEZ-LFVJCYFKSA-N -1 0 565.655 5.348 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C ZINC000409241816 1073100357 /nfs/dbraw/zinc/10/03/57/1073100357.db2.gz OWKTVPROBQALEP-LPYMAVHISA-N -1 0 508.043 5.711 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409241450 1073101222 /nfs/dbraw/zinc/10/12/22/1073101222.db2.gz NJPLMHLVMLCXIZ-KEBDBYFISA-N -1 0 528.859 5.650 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409241166 1073103164 /nfs/dbraw/zinc/10/31/64/1073103164.db2.gz RUAKKQLJFZCECB-OEAKJJBVSA-N -1 0 510.575 5.046 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409240699 1073106100 /nfs/dbraw/zinc/10/61/00/1073106100.db2.gz PLRCYRLDAFZHGT-RVDMUPIBSA-N -1 0 504.826 5.886 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409240484 1073108286 /nfs/dbraw/zinc/10/82/86/1073108286.db2.gz UCBAZEBPAOWTIR-MFKUBSTISA-N -1 0 540.620 5.374 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409238969 1073116372 /nfs/dbraw/zinc/11/63/72/1073116372.db2.gz XSDGDVMRSYASLW-RDRPBHBLSA-N -1 0 529.665 6.798 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409238524 1073119306 /nfs/dbraw/zinc/11/93/06/1073119306.db2.gz KWZFNEBGWPZJRI-NVMNQCDNSA-N -1 0 538.378 6.251 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409238437 1073120804 /nfs/dbraw/zinc/12/08/04/1073120804.db2.gz ABLRIKYYOHSSDF-IMRQLAEWSA-N -1 0 555.550 5.781 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409238042 1073121900 /nfs/dbraw/zinc/12/19/00/1073121900.db2.gz KAYBLHVEZCSEQZ-DEDYPNTBSA-N -1 0 506.414 5.828 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1OC(C)C ZINC000409238071 1073121929 /nfs/dbraw/zinc/12/19/29/1073121929.db2.gz YYNULJCLNGMLEJ-VCHYOVAHSA-N -1 0 564.445 5.042 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409251217 1073129473 /nfs/dbraw/zinc/12/94/73/1073129473.db2.gz OXVAPZMDCIKMGG-SXGWCWSVSA-N -1 0 560.777 5.036 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409250925 1073131883 /nfs/dbraw/zinc/13/18/83/1073131883.db2.gz NMIWNDPUQRMIHG-RGVLZGJSSA-N -1 0 704.315 5.363 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409250719 1073134488 /nfs/dbraw/zinc/13/44/88/1073134488.db2.gz MOUSACIPTOZSCW-NVMNQCDNSA-N -1 0 602.858 5.956 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409250417 1073135897 /nfs/dbraw/zinc/13/58/97/1073135897.db2.gz LIVBZWNMHLDQRM-MTJSOVHGSA-N -1 0 637.443 5.057 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409250422 1073135944 /nfs/dbraw/zinc/13/59/44/1073135944.db2.gz LKYQYOSOFPUTDI-UFFVCSGVSA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1C ZINC000409250375 1073135960 /nfs/dbraw/zinc/13/59/60/1073135960.db2.gz KNZLFRACIHVMEJ-DJKKODMXSA-N -1 0 661.734 6.166 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409250437 1073136396 /nfs/dbraw/zinc/13/63/96/1073136396.db2.gz LQPGJJQDHZKIKN-MYYYXRDXSA-N -1 0 705.359 6.475 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409250236 1073136987 /nfs/dbraw/zinc/13/69/87/1073136987.db2.gz WPMZPVSUKGCOLN-YZSQISJMSA-N -1 0 568.680 6.293 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000409250074 1073137486 /nfs/dbraw/zinc/13/74/86/1073137486.db2.gz PMWZHYLAGYOLPV-YDZHTSKRSA-N -1 0 543.048 5.382 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409249038 1073144319 /nfs/dbraw/zinc/14/43/19/1073144319.db2.gz IZHSABCDUAJCES-LICLKQGHSA-N -1 0 502.785 6.029 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409248567 1073146989 /nfs/dbraw/zinc/14/69/89/1073146989.db2.gz DTVXOYYXTRCMLD-OCKHKDLRSA-N -1 0 643.834 5.012 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Br)c(Br)c1O ZINC000409248317 1073149315 /nfs/dbraw/zinc/14/93/15/1073149315.db2.gz PNELSWBPNGTHGU-OQLLNIDSSA-N -1 0 568.287 5.271 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409248405 1073149699 /nfs/dbraw/zinc/14/96/99/1073149699.db2.gz GGBPJKYYRGDRKT-WOJGMQOQSA-N -1 0 663.827 5.166 40 10 KKCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409247889 1073151743 /nfs/dbraw/zinc/15/17/43/1073151743.db2.gz DLIMQZKYLVMFMV-WJDWOHSUSA-N -1 0 544.778 5.331 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1C ZINC000409247796 1073152978 /nfs/dbraw/zinc/15/29/78/1073152978.db2.gz BGWOSJZWOPFBAS-JMIUGGIZSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000409247374 1073155264 /nfs/dbraw/zinc/15/52/64/1073155264.db2.gz BUEIRUCFXHMVAA-MOSHPQCFSA-N -1 0 596.865 5.712 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409255295 1073156164 /nfs/dbraw/zinc/15/61/64/1073156164.db2.gz GZTGEAZVHQXUIC-WQRHYEAKSA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1C ZINC000409256738 1073159410 /nfs/dbraw/zinc/15/94/10/1073159410.db2.gz PJSZDXNCEWTJAN-AWQFTUOYSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1C ZINC000409256818 1073159799 /nfs/dbraw/zinc/15/97/99/1073159799.db2.gz NORPHAQHPOGIMY-NHDPSOOVSA-N -1 0 596.865 5.712 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409255863 1073163826 /nfs/dbraw/zinc/16/38/26/1073163826.db2.gz JDKSTDUXVMNEHW-LPYMAVHISA-N -1 0 578.021 5.048 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409255722 1073165295 /nfs/dbraw/zinc/16/52/95/1073165295.db2.gz IKRDMOYNGGIKMY-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409254579 1073171342 /nfs/dbraw/zinc/17/13/42/1073171342.db2.gz XTKNBFQICLAIMJ-SRZZPIQSSA-N -1 0 691.760 6.256 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254600 1073171346 /nfs/dbraw/zinc/17/13/46/1073171346.db2.gz FECFKGGGCQOSPT-SRZZPIQSSA-N -1 0 689.890 5.344 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000409254049 1073177128 /nfs/dbraw/zinc/17/71/28/1073177128.db2.gz WHSDOFQKLPBHTE-BKUYFWCQSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409253678 1073178569 /nfs/dbraw/zinc/17/85/69/1073178569.db2.gz BPOBNUDNRJZYOE-VCHYOVAHSA-N -1 0 694.309 5.989 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000409253428 1073180655 /nfs/dbraw/zinc/18/06/55/1073180655.db2.gz GCCVBZQBLCCNJK-VCHYOVAHSA-N -1 0 542.350 5.125 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409253158 1073182984 /nfs/dbraw/zinc/18/29/84/1073182984.db2.gz DXGOSGXGWAVZAB-ONUIUJJFSA-N -1 0 640.490 6.020 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409253182 1073183022 /nfs/dbraw/zinc/18/30/22/1073183022.db2.gz WHCQYGCBSOFKIJ-IMRQLAEWSA-N -1 0 640.490 6.020 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000409251973 1073190051 /nfs/dbraw/zinc/19/00/51/1073190051.db2.gz ASQKJPNKPLBARE-ODLFYWEKSA-N -1 0 675.761 6.474 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409251488 1073192730 /nfs/dbraw/zinc/19/27/30/1073192730.db2.gz QSTFJVABKSOWQJ-UFFVCSGVSA-N -1 0 626.891 5.720 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409262962 1073195749 /nfs/dbraw/zinc/19/57/49/1073195749.db2.gz GKHPVKPBRHUVCA-MYYYXRDXSA-N -1 0 541.604 5.003 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409267151 1073196610 /nfs/dbraw/zinc/19/66/10/1073196610.db2.gz SQWQDQBLGNHFPV-PKAZHMFMSA-N -1 0 684.543 6.419 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)c2)cc1Cl ZINC000409267177 1073197114 /nfs/dbraw/zinc/19/71/14/1073197114.db2.gz MEEUIVQMLLUDIN-SRZZPIQSSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409267044 1073198038 /nfs/dbraw/zinc/19/80/38/1073198038.db2.gz RTKKBIYTUSYFEH-NVMNQCDNSA-N -1 0 647.309 6.065 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1OCC ZINC000409266889 1073198868 /nfs/dbraw/zinc/19/88/68/1073198868.db2.gz RZQUUEPCQUDHHH-PXLXIMEGSA-N -1 0 636.499 5.629 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1C ZINC000409266948 1073199243 /nfs/dbraw/zinc/19/92/43/1073199243.db2.gz SMFLEZJWTYDGHD-MTJSOVHGSA-N -1 0 627.289 5.512 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)SC1=S ZINC000002265602 1073199566 /nfs/dbraw/zinc/19/95/66/1073199566.db2.gz RDFIMLNVWRNZDG-BUVRLJJBSA-N -1 0 527.627 5.404 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC ZINC000409266522 1073200269 /nfs/dbraw/zinc/20/02/69/1073200269.db2.gz ZJBOZVQVSYQHRQ-HAHDFKILSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1 ZINC000409266461 1073201889 /nfs/dbraw/zinc/20/18/89/1073201889.db2.gz WZSVSZFZFQLWKH-DJKKODMXSA-N -1 0 558.805 5.639 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409266503 1073202267 /nfs/dbraw/zinc/20/22/67/1073202267.db2.gz XHTJJHOIEUXCSN-NHDPSOOVSA-N -1 0 735.813 6.655 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409265928 1073204011 /nfs/dbraw/zinc/20/40/11/1073204011.db2.gz VCBHSDCITDTVTF-BKUYFWCQSA-N -1 0 564.063 5.204 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)C2=O)cc1OCC ZINC000409266058 1073204873 /nfs/dbraw/zinc/20/48/73/1073204873.db2.gz WABRZNLARQTKNL-KOEQRZSOSA-N -1 0 571.630 5.175 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409265493 1073206106 /nfs/dbraw/zinc/20/61/06/1073206106.db2.gz SXCATIHVWXYDAQ-JAIQZWGSSA-N -1 0 673.891 5.562 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OC ZINC000409265530 1073206447 /nfs/dbraw/zinc/20/64/47/1073206447.db2.gz ISCKAOIRFUVPHO-JLPGSUDCSA-N -1 0 601.656 5.183 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000409265542 1073206455 /nfs/dbraw/zinc/20/64/55/1073206455.db2.gz IUWKEQGRBAGHID-CIAFOILYSA-N -1 0 677.733 5.948 40 10 KKCBRM COc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)[N-]C1=S ZINC000033332469 1073207446 /nfs/dbraw/zinc/20/74/46/1073207446.db2.gz RUKMKTKJGVYWCZ-HKWRFOASSA-N -1 0 504.011 5.583 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OCC ZINC000409265065 1073207888 /nfs/dbraw/zinc/20/78/88/1073207888.db2.gz SDFFXSNLRGZVLZ-LFVJCYFKSA-N -1 0 650.526 5.937 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000409264915 1073208852 /nfs/dbraw/zinc/20/88/52/1073208852.db2.gz HAIXDKBQCXTPRT-KEBDBYFISA-N -1 0 572.832 5.948 40 10 KKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000035039840 1073208893 /nfs/dbraw/zinc/20/88/93/1073208893.db2.gz BUKNKMVPBZAVPL-XLNRJJMWSA-N -1 0 516.641 6.652 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000409264355 1073212405 /nfs/dbraw/zinc/21/24/05/1073212405.db2.gz DWVUQKHLRBTXPJ-FYJGNVAPSA-N -1 0 627.289 5.512 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OC ZINC000409264198 1073213156 /nfs/dbraw/zinc/21/31/56/1073213156.db2.gz PQLFVXPCCMUSCO-OYKKKHCWSA-N -1 0 636.101 5.837 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409264129 1073214332 /nfs/dbraw/zinc/21/43/32/1073214332.db2.gz OXMAEVCIJGGZIX-NVNXTCNLSA-N -1 0 609.249 5.993 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409263617 1073216722 /nfs/dbraw/zinc/21/67/22/1073216722.db2.gz IMJMRJUBJZAMSK-UUYOSTAYSA-N -1 0 606.473 5.375 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409263658 1073216739 /nfs/dbraw/zinc/21/67/39/1073216739.db2.gz NMFXQIVSYIQDBD-CXUHLZMHSA-N -1 0 712.576 6.311 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409263683 1073217086 /nfs/dbraw/zinc/21/70/86/1073217086.db2.gz NRLPZSKEOMXGDG-PDGQHHTCSA-N -1 0 645.837 5.027 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409263509 1073217817 /nfs/dbraw/zinc/21/78/17/1073217817.db2.gz LJWOVJOQWUKQHK-NHDPSOOVSA-N -1 0 686.943 5.901 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000409263560 1073217835 /nfs/dbraw/zinc/21/78/35/1073217835.db2.gz HQXYYFZMYZQJMY-JMIUGGIZSA-N -1 0 646.911 6.437 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1Cl ZINC000409263542 1073217856 /nfs/dbraw/zinc/21/78/56/1073217856.db2.gz LPJHZJVBKRKBBY-GRSHGNNSSA-N -1 0 558.805 5.639 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409262617 1073221158 /nfs/dbraw/zinc/22/11/58/1073221158.db2.gz IGWAOUKLLIXLPX-YUMHPJSZSA-N -1 0 684.543 6.337 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1C ZINC000409261908 1073224465 /nfs/dbraw/zinc/22/44/65/1073224465.db2.gz FUSRTQDEZWCDKT-NDENLUEZSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1C ZINC000409261763 1073225284 /nfs/dbraw/zinc/22/52/84/1073225284.db2.gz AXTFHWAMEHQAHT-WSDLNYQXSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c1 ZINC000409261515 1073227294 /nfs/dbraw/zinc/22/72/94/1073227294.db2.gz CPIJISSHGCZDIH-DJKKODMXSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)c1 ZINC000409261527 1073227633 /nfs/dbraw/zinc/22/76/33/1073227633.db2.gz DLZPRNCUXAXGNQ-GRSHGNNSSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409261379 1073228434 /nfs/dbraw/zinc/22/84/34/1073228434.db2.gz BBFYWDZVMVEKQP-ODLFYWEKSA-N -1 0 568.811 5.095 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409261176 1073228776 /nfs/dbraw/zinc/22/87/76/1073228776.db2.gz BNQDKYIEJSCRJN-IWIPYMOSSA-N -1 0 636.499 5.547 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409260980 1073229554 /nfs/dbraw/zinc/22/95/54/1073229554.db2.gz ZHBSTEGFQQPJIT-UCQKPKSFSA-N -1 0 650.902 6.910 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409261016 1073229971 /nfs/dbraw/zinc/22/99/71/1073229971.db2.gz ZXEKQKLMDHVNKZ-JLPGSUDCSA-N -1 0 660.908 6.365 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1Cl ZINC000409260350 1073235022 /nfs/dbraw/zinc/23/50/22/1073235022.db2.gz PDMBKJAJSJEDDZ-QGMBQPNBSA-N -1 0 637.701 6.402 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409259615 1073239067 /nfs/dbraw/zinc/23/90/67/1073239067.db2.gz BKIHVNPSCTWBEF-WSDLNYQXSA-N -1 0 671.342 5.911 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409259248 1073240148 /nfs/dbraw/zinc/24/01/48/1073240148.db2.gz XRBLDTTXGMBCLK-GIJQJNRQSA-N -1 0 544.778 5.331 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OC ZINC000409258967 1073242269 /nfs/dbraw/zinc/24/22/69/1073242269.db2.gz YNLAXAMWNCNWIR-UCQKPKSFSA-N -1 0 727.552 5.788 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409258918 1073243332 /nfs/dbraw/zinc/24/33/32/1073243332.db2.gz YHCABKAMEZAADS-FYJGNVAPSA-N -1 0 612.466 5.865 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1OC ZINC000409258507 1073244632 /nfs/dbraw/zinc/24/46/32/1073244632.db2.gz XGNVFDNXKSDWPZ-NDENLUEZSA-N -1 0 612.466 5.783 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1 ZINC000409258213 1073246765 /nfs/dbraw/zinc/24/67/65/1073246765.db2.gz XALORFPSMQECTC-LPYMAVHISA-N -1 0 622.472 5.157 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409258316 1073247201 /nfs/dbraw/zinc/24/72/01/1073247201.db2.gz UIQAWBSSZQYOEO-YUMHPJSZSA-N -1 0 684.543 6.337 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409258058 1073247544 /nfs/dbraw/zinc/24/75/44/1073247544.db2.gz SXDXEJGWNSRYTE-NDENLUEZSA-N -1 0 614.905 5.350 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409258117 1073248020 /nfs/dbraw/zinc/24/80/20/1073248020.db2.gz RLHJPVJJJZJZST-SRZZPIQSSA-N -1 0 640.918 6.110 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(Br)c3)C2=O)cc1OC ZINC000409272731 1073253348 /nfs/dbraw/zinc/25/33/48/1073253348.db2.gz RXLYNMAFNZQCRR-MTJSOVHGSA-N -1 0 715.395 6.310 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl ZINC000409272758 1073253364 /nfs/dbraw/zinc/25/33/64/1073253364.db2.gz SGPGOZFBFWMVIY-YVLHZVERSA-N -1 0 678.677 5.457 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c1 ZINC000409272356 1073255048 /nfs/dbraw/zinc/25/50/48/1073255048.db2.gz PTSZOMHRCHVVCW-NHDPSOOVSA-N -1 0 641.316 5.821 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409271902 1073260706 /nfs/dbraw/zinc/26/07/06/1073260706.db2.gz DXIJTCRBVPPBLJ-YDZHTSKRSA-N -1 0 503.580 5.084 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409271317 1073265087 /nfs/dbraw/zinc/26/50/87/1073265087.db2.gz URQWTHRQEGHZPM-MFKUBSTISA-N -1 0 694.579 6.336 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c1 ZINC000409271172 1073266186 /nfs/dbraw/zinc/26/61/86/1073266186.db2.gz KFQYSVBESDMEPH-GRSHGNNSSA-N -1 0 643.288 5.218 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409270916 1073266517 /nfs/dbraw/zinc/26/65/17/1073266517.db2.gz IQODVKOBXNXOAL-UNOMPAQXSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c1C ZINC000409270704 1073269280 /nfs/dbraw/zinc/26/92/80/1073269280.db2.gz HGMWRKVEZMDEEC-YSMPRRRNSA-N -1 0 644.511 6.873 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409270677 1073269318 /nfs/dbraw/zinc/26/93/18/1073269318.db2.gz HAKNLJNDSXRNIF-QRVIBDJDSA-N -1 0 562.022 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409270358 1073270891 /nfs/dbraw/zinc/27/08/91/1073270891.db2.gz DQLFYQZFHXJOAC-CIAFOILYSA-N -1 0 565.985 5.179 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409270248 1073271812 /nfs/dbraw/zinc/27/18/12/1073271812.db2.gz OCTGLEVSDUKKNF-LICLKQGHSA-N -1 0 710.706 5.400 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409270100 1073272506 /nfs/dbraw/zinc/27/25/06/1073272506.db2.gz CCEOACXOUSHWMC-JAIQZWGSSA-N -1 0 672.286 5.421 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000409269910 1073273357 /nfs/dbraw/zinc/27/33/57/1073273357.db2.gz AYZLXIAGTHKFHK-HZHRSRAPSA-N -1 0 592.446 5.149 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269993 1073273715 /nfs/dbraw/zinc/27/37/15/1073273715.db2.gz NHBNCQQYPNPPMO-RHANQZHGSA-N -1 0 698.570 6.728 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409269349 1073278674 /nfs/dbraw/zinc/27/86/74/1073278674.db2.gz HQIPEFIQPJQSFJ-LPYMAVHISA-N -1 0 578.021 5.048 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409269168 1073279005 /nfs/dbraw/zinc/27/90/05/1073279005.db2.gz GIVVOSVHLORVAG-NVMNQCDNSA-N -1 0 602.858 5.956 40 10 KKCBRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409269245 1073279366 /nfs/dbraw/zinc/27/93/66/1073279366.db2.gz ABHRCYDILMUGEI-KEBDBYFISA-N -1 0 547.372 5.635 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409268670 1073283221 /nfs/dbraw/zinc/28/32/21/1073283221.db2.gz XJFYGTVLAOAWNH-HAHDFKILSA-N -1 0 622.472 5.239 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000409268467 1073283616 /nfs/dbraw/zinc/28/36/16/1073283616.db2.gz UDBFXKTUZTXNGQ-RGVLZGJSSA-N -1 0 645.279 5.651 40 10 KKCBRM Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)c1C ZINC000409268550 1073284387 /nfs/dbraw/zinc/28/43/87/1073284387.db2.gz VOPUTLCAENXZTL-CEUNXORHSA-N -1 0 575.621 5.566 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1C ZINC000409267710 1073287856 /nfs/dbraw/zinc/28/78/56/1073287856.db2.gz VZDWRXXYYZOWCQ-JMIUGGIZSA-N -1 0 583.384 5.202 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409267793 1073288334 /nfs/dbraw/zinc/28/83/34/1073288334.db2.gz WIWDQTKKXUANKJ-GRSHGNNSSA-N -1 0 663.775 6.022 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000409267556 1073288694 /nfs/dbraw/zinc/28/86/94/1073288694.db2.gz NSPDAASBSXHDLS-WSDLNYQXSA-N -1 0 749.840 7.045 40 10 KKCBRM Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000409274103 1073314589 /nfs/dbraw/zinc/31/45/89/1073314589.db2.gz VNIXXISJKCWOSG-KEBDBYFISA-N -1 0 531.373 5.935 40 10 KKCBRM Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000409273383 1073319770 /nfs/dbraw/zinc/31/97/70/1073319770.db2.gz QIXLVZGDNBGUFX-JMIUGGIZSA-N -1 0 531.373 5.935 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409273264 1073333964 /nfs/dbraw/zinc/33/39/64/1073333964.db2.gz WSKVGKQFDLKGGS-LICLKQGHSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409272878 1073336572 /nfs/dbraw/zinc/33/65/72/1073336572.db2.gz TZEOTVAAAAHJNO-LSCVHKIXSA-N -1 0 728.754 6.642 40 10 KKCBRM CCn1c(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634923 195482496 /nfs/dbraw/zinc/48/24/96/195482496.db2.gz XZQHJEWVZNRHOU-RCCKNPSSSA-N -1 0 514.007 5.735 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000001092505 551607326 /nfs/dbraw/zinc/60/73/26/551607326.db2.gz PTEARRHSYQQEHF-DEDYPNTBSA-N -1 0 500.511 5.409 40 10 KKCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001271137 551635003 /nfs/dbraw/zinc/63/50/03/551635003.db2.gz UEBMDVYCTCYUQY-OVCORXIESA-N -1 0 500.395 5.736 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000001783281 551698783 /nfs/dbraw/zinc/69/87/83/551698783.db2.gz VVTWXAQVURJCRO-WQRHYEAKSA-N -1 0 556.887 5.756 40 10 KKCBRM COc1ccc(OC)c(NN=C2C=C(OC)C(=NN=C3C(=O)Nc4ccccc4C3=O)C=C2Cc2ccccc2C(=O)[O-])c1 ZINC000008622296 553103408 /nfs/dbraw/zinc/10/34/08/553103408.db2.gz KXSHAHXSXGJWAQ-TWQDDVAESA-N -1 0 593.596 7.792 40 10 KKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000008821400 553155866 /nfs/dbraw/zinc/15/58/66/553155866.db2.gz PLLMYVMFGLFNEO-OQKWZONESA-N -1 0 506.089 7.397 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000008983452 553196035 /nfs/dbraw/zinc/19/60/35/553196035.db2.gz YBTJZDBMBXLVHI-XIEYBQDHSA-N -1 0 528.605 5.425 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)c1 ZINC000009263215 553228695 /nfs/dbraw/zinc/22/86/95/553228695.db2.gz YWDBMCAJXISVNC-HMAPJEAMSA-N -1 0 500.023 5.791 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000014133038 553501668 /nfs/dbraw/zinc/50/16/68/553501668.db2.gz CSDNUEJRIHWAST-FYJGNVAPSA-N -1 0 504.970 5.601 40 10 KKCBRM Cc1cc(Br)c(NC(=O)NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1C ZINC000016267957 553558046 /nfs/dbraw/zinc/55/80/46/553558046.db2.gz UTSRIRIHSRWHJL-ATVHPVEESA-N -1 0 507.344 5.348 40 10 KKCBRM Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000026786836 553821320 /nfs/dbraw/zinc/82/13/20/553821320.db2.gz IGKMAEVKAYNRFL-UHFFFAOYSA-N -1 0 514.452 5.764 40 10 KKCBRM CCc1cc(C)cc(OCCOc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000097958650 553856501 /nfs/dbraw/zinc/85/65/01/553856501.db2.gz RRISVIWRAKBUFF-UQQQWYQISA-N -1 0 563.448 6.593 40 10 KKCBRM Cc1cccc(OCCOc2c(Cl)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000097961887 553881325 /nfs/dbraw/zinc/88/13/25/553881325.db2.gz ODLIVDZNPLQOBT-NDENLUEZSA-N -1 0 590.257 7.029 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC000097961896 553881362 /nfs/dbraw/zinc/88/13/62/553881362.db2.gz LHLMOUKRJNDLFU-JCMHNJIXSA-N -1 0 557.853 6.780 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCCOc1ccc([C@H](C)CC)cc1 ZINC000097964526 553899229 /nfs/dbraw/zinc/89/92/29/553899229.db2.gz ITYUPXUEJRXEBE-AZVXTCMLSA-N -1 0 621.528 7.634 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c1C)CCCC2 ZINC000033352784 553922457 /nfs/dbraw/zinc/92/24/57/553922457.db2.gz GPSFMBKIFWLGBF-RCCKNPSSSA-N -1 0 523.655 5.846 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100192392 554245083 /nfs/dbraw/zinc/24/50/83/554245083.db2.gz RPUXGQNXOFVGSX-MTJSOVHGSA-N -1 0 535.394 5.320 40 10 KKCBRM CC(C)(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000100218010 554251178 /nfs/dbraw/zinc/25/11/78/554251178.db2.gz RPQIMWODPYHSLD-MTJSOVHGSA-N -1 0 557.861 7.190 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C3C4CC5CC(C4)CC3C5)cc2)C(=O)/C1=C\c1ccc(I)o1 ZINC000100218303 554251205 /nfs/dbraw/zinc/25/12/05/554251205.db2.gz QXDDLBIJSWUUDR-NDENLUEZSA-N -1 0 542.373 5.090 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000041076795 554292184 /nfs/dbraw/zinc/29/21/84/554292184.db2.gz BZTGADULHBARHX-XQNSMLJCSA-N -1 0 518.566 5.546 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100320488 554304771 /nfs/dbraw/zinc/30/47/71/554304771.db2.gz HVQQRCHBQHUUCS-DJKKODMXSA-N -1 0 590.257 6.318 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000100320698 554305113 /nfs/dbraw/zinc/30/51/13/554305113.db2.gz HYSSHVWBZMEBKB-RGVLZGJSSA-N -1 0 539.357 5.151 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100321014 554305460 /nfs/dbraw/zinc/30/54/60/554305460.db2.gz CDYWMNPYNZPDIK-WQRHYEAKSA-N -1 0 557.853 5.521 40 10 KKCBRM CC(=O)Nc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C=C2C(=O)N(c3ccccc3)N=C2c2ccc(NC(C)=O)cc2)cc1 ZINC000100365834 554352032 /nfs/dbraw/zinc/35/20/32/554352032.db2.gz GWGNTTBSFNSUDQ-SSQLPREDSA-N -1 0 596.647 5.348 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)c1 ZINC000058849426 554368827 /nfs/dbraw/zinc/36/88/27/554368827.db2.gz JABOJYDSLXHOPV-VKIDHGPPSA-N -1 0 522.623 5.348 40 10 KKCBRM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058849896 554369442 /nfs/dbraw/zinc/36/94/42/554369442.db2.gz VHXIXFFQWRUZDQ-UZINWLIJSA-N -1 0 506.580 5.029 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000059087201 554372054 /nfs/dbraw/zinc/37/20/54/554372054.db2.gz QYHKPKAUWGIKGV-LPYMAVHISA-N -1 0 506.400 5.451 40 10 KKCBRM CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C1=O ZINC000059087290 554372172 /nfs/dbraw/zinc/37/21/72/554372172.db2.gz XKZVFPPZUJZEAT-OVCLIPMQSA-N -1 0 504.743 5.567 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059089262 554372190 /nfs/dbraw/zinc/37/21/90/554372190.db2.gz GZHQTBMYZQVNRL-CIAFOILYSA-N -1 0 539.415 7.095 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000059104990 554379993 /nfs/dbraw/zinc/37/99/93/554379993.db2.gz MZLIACBBTSQIMT-UDWIEESQSA-N -1 0 512.462 6.943 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000059135215 554381083 /nfs/dbraw/zinc/38/10/83/554381083.db2.gz AFNYBIHAAJHNFR-VCHYOVAHSA-N -1 0 515.324 6.227 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000059135995 554381945 /nfs/dbraw/zinc/38/19/45/554381945.db2.gz HWPLERRENJIEST-KGENOOAVSA-N -1 0 514.538 5.717 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000059135667 554382005 /nfs/dbraw/zinc/38/20/05/554382005.db2.gz DMRQXYSUOUXOJX-FYJGNVAPSA-N -1 0 509.331 5.982 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059198302 554384810 /nfs/dbraw/zinc/38/48/10/554384810.db2.gz XCQWNBUAMQMLHP-JAIQZWGSSA-N -1 0 509.316 5.272 40 10 KKCBRM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000059639174 554416712 /nfs/dbraw/zinc/41/67/12/554416712.db2.gz OCPLJDYNVKLJBZ-XKZIYDEJSA-N -1 0 504.373 6.501 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000100952755 554537727 /nfs/dbraw/zinc/53/77/27/554537727.db2.gz CMNAADPUVMSSDQ-NDZAJKAJSA-N -1 0 607.037 7.457 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000100952757 554537800 /nfs/dbraw/zinc/53/78/00/554537800.db2.gz IRUBZVHFQACFAI-ZCTHSVRISA-N -1 0 607.037 7.457 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000101095208 554584470 /nfs/dbraw/zinc/58/44/70/554584470.db2.gz OPGYZCWOCRAUSQ-CAOOACKPSA-N -1 0 577.305 6.019 40 10 KKCBRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl ZINC000101141968 554653755 /nfs/dbraw/zinc/65/37/55/554653755.db2.gz APWFSAYAXCCMAD-OZEVPFDHSA-N -1 0 579.875 7.084 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000101393164 554756226 /nfs/dbraw/zinc/75/62/26/554756226.db2.gz PPNQEGBNCXMIII-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000101405816 554761713 /nfs/dbraw/zinc/76/17/13/554761713.db2.gz ABPGVZBWXLEWAP-VCHYOVAHSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)N(c4ccc(C(=O)[O-])cc4)N=C3C)cc2OCC)cc1 ZINC000101574285 554798562 /nfs/dbraw/zinc/79/85/62/554798562.db2.gz HRAJZJLZRKCGTQ-PCLIKHOPSA-N -1 0 543.576 5.006 40 10 KKCBRM Cc1ccc(N(C(=O)CC(=O)n2[n-]c(-c3ccccc3)c(N=Nc3ccc([N+](=O)[O-])cc3)c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000102949146 555172408 /nfs/dbraw/zinc/17/24/08/555172408.db2.gz LVROGXZBMYMMQI-MAXYYLDHSA-N -1 0 623.025 6.046 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000103805989 555482001 /nfs/dbraw/zinc/48/20/01/555482001.db2.gz CJJUMOWIAGJHAY-UHFFFAOYSA-N -1 0 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543.403 6.417 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000150350589 571461975 /nfs/dbraw/zinc/46/19/75/571461975.db2.gz ZCBJLLBLDFPBCH-DIBXZPPDSA-N -1 0 653.001 8.367 40 10 KKCBRM COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cc(I)cc(I)c1[O-] ZINC000150378312 571466562 /nfs/dbraw/zinc/46/65/62/571466562.db2.gz XWGFVGFAHHJTFU-UHFFFAOYSA-N -1 0 670.329 6.025 40 10 KKCBRM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc(I)cc(I)c2[O-])cc1 ZINC000150378326 571466584 /nfs/dbraw/zinc/46/65/84/571466584.db2.gz MEVLKZAFKFMEJQ-UHFFFAOYSA-N -1 0 670.329 6.025 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223423576 571474351 /nfs/dbraw/zinc/47/43/51/571474351.db2.gz DJRUUKGOCSNVLL-RRPNLBNLSA-N -1 0 512.635 5.369 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000223423712 571474518 /nfs/dbraw/zinc/47/45/18/571474518.db2.gz QJVKISRYZILEKL-SVBPBHIXSA-N -1 0 512.635 5.369 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000150403969 571478976 /nfs/dbraw/zinc/47/89/76/571478976.db2.gz VRDZPYAEIMLMFX-YBFXNURJSA-N -1 0 647.263 5.616 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224132014 571482781 /nfs/dbraw/zinc/48/27/81/571482781.db2.gz LAVLCEZMEDKNCG-OTWWGAIPSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224132133 571482791 /nfs/dbraw/zinc/48/27/91/571482791.db2.gz AKMMRKZJAKIHJN-WTEHXLFCSA-N -1 0 614.215 7.500 40 10 KKCBRM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000223487950 571485605 /nfs/dbraw/zinc/48/56/05/571485605.db2.gz IFALUESELOCXFX-FYJGNVAPSA-N -1 0 508.416 5.526 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223560459 571501998 /nfs/dbraw/zinc/50/19/98/571501998.db2.gz VGFYIMXIKQWQDS-BRFSQIRFSA-N -1 0 516.494 6.325 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223582411 571507340 /nfs/dbraw/zinc/50/73/40/571507340.db2.gz YHSFWKLTCXZPNE-BKQORJHRSA-N -1 0 500.426 6.080 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223609615 571513184 /nfs/dbraw/zinc/51/31/84/571513184.db2.gz YLYHIIXAQASDBZ-QQZPLFJDSA-N -1 0 540.527 6.089 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223609883 571513214 /nfs/dbraw/zinc/51/32/14/571513214.db2.gz BUSXCCMGRGKDAH-QUYZQLMHSA-N -1 0 530.521 6.634 40 10 KKCBRM COc1cc(/N=N\c2cc(C)c(NC(=O)c3ccc(N)cc3)cc2C)c(OC)cc1/N=N/c1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000150485442 571515962 /nfs/dbraw/zinc/51/59/62/571515962.db2.gz QEZXDYQNUXXDEE-VAXAQTQESA-N -1 0 638.706 8.386 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224307212 571518601 /nfs/dbraw/zinc/51/86/01/571518601.db2.gz TWJFXZRRTJZNIK-WUFINQPMSA-N -1 0 510.663 6.290 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000150597177 571522408 /nfs/dbraw/zinc/52/24/08/571522408.db2.gz APGFFYOOVOFZLM-UPCARPLXSA-N -1 0 643.115 6.881 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000150672701 571528906 /nfs/dbraw/zinc/52/89/06/571528906.db2.gz YJHTXZGSVQVMFH-WKULSOCRSA-N -1 0 745.614 6.842 40 10 KKCBRM C/C=C/Oc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000163475577 571536112 /nfs/dbraw/zinc/53/61/12/571536112.db2.gz WOOOWWDBALMJJA-QXLYCPSSSA-N -1 0 679.046 5.237 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223766720 571540700 /nfs/dbraw/zinc/54/07/00/571540700.db2.gz CRAACFLZXOSKFN-KAYWLYCHSA-N -1 0 512.635 5.681 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)c1 ZINC000164307235 571545381 /nfs/dbraw/zinc/54/53/81/571545381.db2.gz XEDFFLGPXAQUNH-CIAFOILYSA-N -1 0 640.443 5.409 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(I)c3)C2=O)c1 ZINC000164306760 571545386 /nfs/dbraw/zinc/54/53/86/571545386.db2.gz XQIKQINPUZCWNX-DEDYPNTBSA-N -1 0 646.865 5.987 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(Br)c3)C2=O)c1 ZINC000164333653 571545746 /nfs/dbraw/zinc/54/57/46/571545746.db2.gz SHCHTDBSWIRFFT-CIAFOILYSA-N -1 0 658.343 6.563 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000164326680 571545828 /nfs/dbraw/zinc/54/58/28/571545828.db2.gz CYVVOUHVJPQSES-GIJQJNRQSA-N -1 0 647.219 5.028 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224438082 571545937 /nfs/dbraw/zinc/54/59/37/571545937.db2.gz DKHZDSWWCLRRDD-UIOOFZCWSA-N -1 0 500.599 5.812 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000164339141 571546066 /nfs/dbraw/zinc/54/60/66/571546066.db2.gz UFECURBDTCTVMR-GIJQJNRQSA-N -1 0 647.219 5.028 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164347826 571546304 /nfs/dbraw/zinc/54/63/04/571546304.db2.gz DTOFPFKLCURLDE-KKMKTNMSSA-N -1 0 818.877 8.262 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223800500 571546340 /nfs/dbraw/zinc/54/63/40/571546340.db2.gz BSNIMDYQWXFUPY-SVBPBHIXSA-N -1 0 512.635 5.763 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000223801041 571546475 /nfs/dbraw/zinc/54/64/75/571546475.db2.gz CCSHTWPVTMOGCJ-SVBPBHIXSA-N -1 0 512.635 5.763 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164372993 571546506 /nfs/dbraw/zinc/54/65/06/571546506.db2.gz RWJFDOIYOLNOLN-GIJQJNRQSA-N -1 0 655.645 6.092 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164387061 571546798 /nfs/dbraw/zinc/54/67/98/571546798.db2.gz XRAGGOBTQBHEQK-LZYBPNLTSA-N -1 0 657.288 6.156 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000164396910 571546919 /nfs/dbraw/zinc/54/69/19/571546919.db2.gz LUUSJIPWHIKUGH-GZTJUZNOSA-N -1 0 637.268 5.603 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000164396785 571547019 /nfs/dbraw/zinc/54/70/19/571547019.db2.gz NAMJQFVIHSQDBI-OQLLNIDSSA-N -1 0 627.262 6.147 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000164445579 571547611 /nfs/dbraw/zinc/54/76/11/571547611.db2.gz CRTSXKFGZVHUEG-GIJQJNRQSA-N -1 0 653.096 6.359 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000164446116 571547634 /nfs/dbraw/zinc/54/76/34/571547634.db2.gz MQGSCSYMSNFIKJ-VXLYETTFSA-N -1 0 649.133 6.528 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000164442524 571547638 /nfs/dbraw/zinc/54/76/38/571547638.db2.gz PDFRLTLJMLLFJE-USHMODERSA-N -1 0 622.906 7.894 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164453244 571547834 /nfs/dbraw/zinc/54/78/34/571547834.db2.gz JOKOIGTXSIHLTJ-YBFXNURJSA-N -1 0 637.655 5.953 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000164453531 571547862 /nfs/dbraw/zinc/54/78/62/571547862.db2.gz SEZJOGDUYQLIGC-RQZCQDPDSA-N -1 0 672.100 6.606 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000164452542 571547915 /nfs/dbraw/zinc/54/79/15/571547915.db2.gz NGZRYVYDZBVHFQ-FRKPEAEDSA-N -1 0 615.094 7.308 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164461534 571548110 /nfs/dbraw/zinc/54/81/10/571548110.db2.gz YWFUENUITRPIFZ-VXLYETTFSA-N -1 0 678.233 5.216 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164459065 571548184 /nfs/dbraw/zinc/54/81/84/571548184.db2.gz DFXLFLWDIJSJOM-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000164464997 571548385 /nfs/dbraw/zinc/54/83/85/571548385.db2.gz IQXOPJGDQUNKRE-RGVLZGJSSA-N -1 0 681.708 6.351 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000164466767 571548439 /nfs/dbraw/zinc/54/84/39/571548439.db2.gz XQVILDYVRRTFBJ-ZVHZXABRSA-N -1 0 650.323 7.009 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164469054 571548586 /nfs/dbraw/zinc/54/85/86/571548586.db2.gz KBPITWFQXQDHIM-RGVLZGJSSA-N -1 0 692.260 5.606 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000164468640 571548600 /nfs/dbraw/zinc/54/86/00/571548600.db2.gz WKGZBTVOYMQVBQ-CIAFOILYSA-N -1 0 661.290 6.006 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164470598 571548620 /nfs/dbraw/zinc/54/86/20/571548620.db2.gz IAIRKHKYMAZULB-RGVLZGJSSA-N -1 0 726.159 6.460 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000164480367 571548898 /nfs/dbraw/zinc/54/88/98/571548898.db2.gz RNLUORARSHBKOL-FYJGNVAPSA-N -1 0 619.278 5.464 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000164603327 571550186 /nfs/dbraw/zinc/55/01/86/571550186.db2.gz LMZQVBIHCGIEJO-TURZUDJPSA-N -1 0 638.815 6.825 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223823492 571556640 /nfs/dbraw/zinc/55/66/40/571556640.db2.gz ZYKXHCCJPKLCTG-VSGBNLITSA-N -1 0 526.662 6.072 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224497717 571560545 /nfs/dbraw/zinc/56/05/45/571560545.db2.gz XQEOULJASHKBTL-RPBOFIJWSA-N -1 0 547.478 6.127 40 10 KKCBRM COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224537413 571569198 /nfs/dbraw/zinc/56/91/98/571569198.db2.gz NAJXXDWKVAYMAJ-KAYWLYCHSA-N -1 0 512.635 5.681 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223898313 571570486 /nfs/dbraw/zinc/57/04/86/571570486.db2.gz VKTPOMDBVTZCPT-RRPNLBNLSA-N -1 0 511.651 5.430 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1 ZINC000206827266 571572904 /nfs/dbraw/zinc/57/29/04/571572904.db2.gz DSWOJJXBEZRPIG-LDADJPATSA-N -1 0 522.442 5.103 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208234371 571573507 /nfs/dbraw/zinc/57/35/07/571573507.db2.gz NUKLBWNCRWOKRO-BBJIBYMTSA-N -1 0 512.473 5.311 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208241189 571573677 /nfs/dbraw/zinc/57/36/77/571573677.db2.gz YDJOUDPJGZKWHF-AGZSBTIMSA-N -1 0 516.823 5.491 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208712179 571575057 /nfs/dbraw/zinc/57/50/57/571575057.db2.gz KZHIWXRGUGAGJT-JAIQZWGSSA-N -1 0 544.448 5.476 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223935931 571578650 /nfs/dbraw/zinc/57/86/50/571578650.db2.gz CULLKLXOKNGDTP-FQLXRVMXSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223936276 571578887 /nfs/dbraw/zinc/57/88/87/571578887.db2.gz AODSOZGUGUTHTF-URLMMPGGSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223940306 571579803 /nfs/dbraw/zinc/57/98/03/571579803.db2.gz PGHCKKNMZITVAE-KYJUHHDHSA-N -1 0 567.715 5.509 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000223977146 571587399 /nfs/dbraw/zinc/58/73/99/571587399.db2.gz VQWDLKDSIXGCCD-SXOMAYOGSA-N -1 0 525.634 5.323 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224639079 571592705 /nfs/dbraw/zinc/59/27/05/571592705.db2.gz MLKZNRRFRQCMRZ-JSOSNVBQSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224016734 571595768 /nfs/dbraw/zinc/59/57/68/571595768.db2.gz TXQGMCYUBWQNBC-UIOOFZCWSA-N -1 0 512.591 5.093 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000219005079 571604050 /nfs/dbraw/zinc/60/40/50/571604050.db2.gz OJTRBVCOEIUCEM-FYJGNVAPSA-N -1 0 537.981 5.057 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224059321 571604088 /nfs/dbraw/zinc/60/40/88/571604088.db2.gz DZCZPNUTRHCCFH-VMPREFPWSA-N -1 0 591.133 6.351 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)cc2)cc1 ZINC000224741886 571612892 /nfs/dbraw/zinc/61/28/92/571612892.db2.gz MTMARMMPKFGQSH-ZWXJPIIXSA-N -1 0 590.705 7.165 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224775534 571615938 /nfs/dbraw/zinc/61/59/38/571615938.db2.gz IHUDHYVJDSUQCH-CONSDPRKSA-N -1 0 621.744 7.424 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c(OC)c1 ZINC000224808333 571619048 /nfs/dbraw/zinc/61/90/48/571619048.db2.gz XJRFQBMHYHGVBQ-SVBPBHIXSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224871813 571625289 /nfs/dbraw/zinc/62/52/89/571625289.db2.gz HEECASSWUBHJHA-LOSJGSFVSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224871734 571625313 /nfs/dbraw/zinc/62/53/13/571625313.db2.gz HEECASSWUBHJHA-JWQCQUIFSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224900984 571628253 /nfs/dbraw/zinc/62/82/53/571628253.db2.gz DAXGAWPFLWTZBY-UIOOFZCWSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224989216 571636827 /nfs/dbraw/zinc/63/68/27/571636827.db2.gz LJYRDWDVFQDFDI-FIRIVFDPSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225045758 571641726 /nfs/dbraw/zinc/64/17/26/571641726.db2.gz OEGPNENEKZHWQP-VSGBNLITSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225045968 571641776 /nfs/dbraw/zinc/64/17/76/571641776.db2.gz KCMAUNQXNPJBLQ-IZLXSDGUSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225048700 571642062 /nfs/dbraw/zinc/64/20/62/571642062.db2.gz KOZJULNOKHEXII-FQLXRVMXSA-N -1 0 539.705 5.970 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225074817 571644483 /nfs/dbraw/zinc/64/44/83/571644483.db2.gz VFFDTTXANBHORQ-SAIUNTKASA-N -1 0 617.731 6.382 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1NC(=O)C(C)(C)C ZINC000225103834 571647528 /nfs/dbraw/zinc/64/75/28/571647528.db2.gz UFFFIGVKYYPENB-FQLXRVMXSA-N -1 0 597.741 6.358 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225103965 571647562 /nfs/dbraw/zinc/64/75/62/571647562.db2.gz KORQEAGGNCGMJW-URLMMPGGSA-N -1 0 597.741 6.358 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106710 571647851 /nfs/dbraw/zinc/64/78/51/571647851.db2.gz DKBLNCZDUAPJQP-XZWHSSHBSA-N -1 0 611.768 6.666 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NC(=O)C(C)(C)C ZINC000225106634 571647869 /nfs/dbraw/zinc/64/78/69/571647869.db2.gz DKBLNCZDUAPJQP-KYJUHHDHSA-N -1 0 611.768 6.666 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225160217 571653289 /nfs/dbraw/zinc/65/32/89/571653289.db2.gz ZWNXHPCKXVXYJM-WDYNHAJCSA-N -1 0 553.688 6.021 40 10 KKCBRM COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1OC ZINC000225299964 571668541 /nfs/dbraw/zinc/66/85/41/571668541.db2.gz ZZWZUNIHGKGBCB-IHLOFXLRSA-N -1 0 599.713 5.266 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225346081 571705667 /nfs/dbraw/zinc/70/56/67/571705667.db2.gz JSCGTLGNVMHCOA-NSOVKSMOSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225346009 571705764 /nfs/dbraw/zinc/70/57/64/571705764.db2.gz JSCGTLGNVMHCOA-IZLXSDGUSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225371737 571736645 /nfs/dbraw/zinc/73/66/45/571736645.db2.gz VYCOLKYFXYAKKM-XZWHSSHBSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225371565 571736700 /nfs/dbraw/zinc/73/67/00/571736700.db2.gz AMCRSLUQZVKZFU-IHLOFXLRSA-N -1 0 552.700 6.686 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NS(C)(=O)=O ZINC000225484129 571854738 /nfs/dbraw/zinc/85/47/38/571854738.db2.gz ACOCMVFRYPTQSK-WUFINQPMSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225529811 571896849 /nfs/dbraw/zinc/89/68/49/571896849.db2.gz NJZOEHYQZCLMKS-WUFINQPMSA-N -1 0 539.661 5.189 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225572206 571933586 /nfs/dbraw/zinc/93/35/86/571933586.db2.gz FOMJPACKHYFIEJ-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225631105 571983268 /nfs/dbraw/zinc/98/32/68/571983268.db2.gz SKIYYVXNOFXZSG-IHLOFXLRSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225631056 571983383 /nfs/dbraw/zinc/98/33/83/571983383.db2.gz YCUXSUVURHWRAC-KYJUHHDHSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225648650 571997427 /nfs/dbraw/zinc/99/74/27/571997427.db2.gz FPDSSPJUEKGTJM-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225650410 571998969 /nfs/dbraw/zinc/99/89/69/571998969.db2.gz COKPDCJCBZJLNU-LOYHVIPDSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225687023 572023549 /nfs/dbraw/zinc/02/35/49/572023549.db2.gz NVMMBQPRHQDJJC-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225706438 572036833 /nfs/dbraw/zinc/03/68/33/572036833.db2.gz AJIPDSRFWKPIKW-ROJLCIKYSA-N -1 0 589.721 6.342 40 10 KKCBRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)C(C)C ZINC000225825580 572074129 /nfs/dbraw/zinc/07/41/29/572074129.db2.gz OOUQQPJATOGJPM-UHFFFAOYSA-N -1 0 503.045 5.688 40 10 KKCBRM CCn1c(=O)n(CC)c2cc(N=Cc3c(C)[n-]n(-c4cc(Cl)ccc4Cl)c3=O)c(Br)cc21 ZINC000408526576 572157652 /nfs/dbraw/zinc/15/76/52/572157652.db2.gz BOECVTSZZQGBDG-KAMYIIQDSA-N -1 0 537.245 5.631 40 10 KKCBRM Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccccc4Br)cc3)C2=O)ccc1Br ZINC000408527146 572159830 /nfs/dbraw/zinc/15/98/30/572159830.db2.gz FDHOZYRNJVSCJU-QGOAFFKASA-N -1 0 648.333 5.208 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408528510 572164462 /nfs/dbraw/zinc/16/44/62/572164462.db2.gz BLIKBJJQAYDOCV-GRSHGNNSSA-N -1 0 652.217 6.424 40 10 KKCBRM O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)c(N3CCCCC3)cc2[nH]1 ZINC000408529239 572167506 /nfs/dbraw/zinc/16/75/06/572167506.db2.gz HHBQNYDPFSFDND-OQKWZONESA-N -1 0 659.585 6.068 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408529977 572170417 /nfs/dbraw/zinc/17/04/17/572170417.db2.gz DNRPDFRLEJZFFM-KPFFVQBGSA-N -1 0 619.777 6.407 40 10 KKCBRM CCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408530440 572171911 /nfs/dbraw/zinc/17/19/11/572171911.db2.gz JJARBGJPRVGNHK-GDNBJRDFSA-N -1 0 512.187 5.601 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408531323 572175511 /nfs/dbraw/zinc/17/55/11/572175511.db2.gz GSERZXMABUHGKB-YBFXNURJSA-N -1 0 604.240 6.040 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)C2=O)c1 ZINC000408531922 572178079 /nfs/dbraw/zinc/17/80/79/572178079.db2.gz HNWMFQDDRLEZEA-UNOMPAQXSA-N -1 0 584.220 5.406 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408532007 572178183 /nfs/dbraw/zinc/17/81/83/572178183.db2.gz HVAAIVUZHFXVQN-OLKAJYLJSA-N -1 0 655.255 5.713 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408532687 572180615 /nfs/dbraw/zinc/18/06/15/572180615.db2.gz ITXKURRGYVNKSH-KRWXNTFSSA-N -1 0 675.127 6.259 40 10 KKCBRM Cc1nn(-c2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408533232 572182720 /nfs/dbraw/zinc/18/27/20/572182720.db2.gz OHAVMMDBOPSUTQ-KOEQRZSOSA-N -1 0 614.544 6.298 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2ccc(Cl)cc2)C1=O ZINC000408533521 572183504 /nfs/dbraw/zinc/18/35/04/572183504.db2.gz JZVJSMGIPULHMW-SSZQZOOLSA-N -1 0 660.702 6.159 40 10 KKCBRM CCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408533435 572183693 /nfs/dbraw/zinc/18/36/93/572183693.db2.gz QYXKXCQIDNIPTB-SFQUDFHCSA-N -1 0 522.193 5.057 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc2c(c1)OCO2 ZINC000408533595 572184044 /nfs/dbraw/zinc/18/40/44/572184044.db2.gz KGEIZEPKWADKRO-IDUWFGFVSA-N -1 0 682.199 5.845 40 10 KKCBRM CCc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408533769 572184369 /nfs/dbraw/zinc/18/43/69/572184369.db2.gz PBSAYMADDPJZLY-LFVJCYFKSA-N -1 0 514.582 5.204 40 10 KKCBRM O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)c(N3CCCC3)cc2[nH]1 ZINC000408534075 572185260 /nfs/dbraw/zinc/18/52/60/572185260.db2.gz USGKMOFMCDMFOR-LTGZKZEYSA-N -1 0 645.558 5.678 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408534575 572186627 /nfs/dbraw/zinc/18/66/27/572186627.db2.gz MIWLCIAIGOHRKZ-NSFNGMEESA-N -1 0 586.225 6.041 40 10 KKCBRM O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408535000 572187674 /nfs/dbraw/zinc/18/76/74/572187674.db2.gz SACDHSKIJJNDLZ-QUPMIFSKSA-N -1 0 657.775 5.642 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408535605 572189219 /nfs/dbraw/zinc/18/92/19/572189219.db2.gz OGCBLPGLKGQABH-GRSHGNNSSA-N -1 0 590.213 5.650 40 10 KKCBRM COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(Br)c(C)c2)c1=O ZINC000408535973 572189533 /nfs/dbraw/zinc/18/95/33/572189533.db2.gz UWXFDOHXRBDSGD-QNGOZBTKSA-N -1 0 555.454 5.285 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccccc1I ZINC000408536028 572190202 /nfs/dbraw/zinc/19/02/02/572190202.db2.gz VICHDSRZSUNOSS-XMHGGMMESA-N -1 0 646.323 6.100 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408536221 572190731 /nfs/dbraw/zinc/19/07/31/572190731.db2.gz QJRLJGKBZVPLOM-AXRQRBSBSA-N -1 0 596.231 5.497 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408536449 572191148 /nfs/dbraw/zinc/19/11/48/572191148.db2.gz RLCBGDJEBQXPLZ-UDWIEESQSA-N -1 0 558.896 5.643 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)C2=O)cc1 ZINC000408536507 572191249 /nfs/dbraw/zinc/19/12/49/572191249.db2.gz RRUUGSCPCSCOHN-UNOMPAQXSA-N -1 0 584.220 5.406 40 10 KKCBRM COc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1-n1nc(C)cc1C ZINC000408536689 572191722 /nfs/dbraw/zinc/19/17/22/572191722.db2.gz XICFGHNYTNLUQC-OVVQPSECSA-N -1 0 565.674 5.544 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536674 572191737 /nfs/dbraw/zinc/19/17/37/572191737.db2.gz AHNFISUGVNQCQL-NTFVMDSBSA-N -1 0 641.120 7.189 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408536710 572192100 /nfs/dbraw/zinc/19/21/00/572192100.db2.gz AMTQBHLPIQPJEZ-CVKSISIWSA-N -1 0 736.413 7.443 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408536739 572192158 /nfs/dbraw/zinc/19/21/58/572192158.db2.gz AUGJXXZGZSXRDT-WYMPLXKRSA-N -1 0 651.930 7.788 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536952 572192674 /nfs/dbraw/zinc/19/26/74/572192674.db2.gz BRFVNVGCMMXGFS-CVKSISIWSA-N -1 0 675.507 6.820 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408536934 572192866 /nfs/dbraw/zinc/19/28/66/572192866.db2.gz BPLGMLLZVRNNOS-NHYZDEDTSA-N -1 0 698.772 7.887 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408537094 572193234 /nfs/dbraw/zinc/19/32/34/572193234.db2.gz UMNLMXDDOOVLPB-RGVLZGJSSA-N -1 0 614.529 5.016 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408537221 572193667 /nfs/dbraw/zinc/19/36/67/572193667.db2.gz DEILSXZKLAYTGV-BOPFTXTBSA-N -1 0 584.692 6.491 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 ZINC000408537216 572193748 /nfs/dbraw/zinc/19/37/48/572193748.db2.gz DBMXSOSDKAQXGJ-QQXSKIMKSA-N -1 0 614.010 6.081 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537430 572194202 /nfs/dbraw/zinc/19/42/02/572194202.db2.gz FAYFGQFLOCHVFK-BCJTWVECSA-N -1 0 654.719 7.489 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537432 572194441 /nfs/dbraw/zinc/19/44/41/572194441.db2.gz FBRPHYMKSCQTCM-MTDXEUNCSA-N -1 0 608.647 5.927 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537591 572195074 /nfs/dbraw/zinc/19/50/74/572195074.db2.gz GAABORDKAHCYMF-IMRQLAEWSA-N -1 0 661.936 7.326 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2ccccc2)C1=O ZINC000408537687 572195533 /nfs/dbraw/zinc/19/55/33/572195533.db2.gz WQXUNRSNNURYFA-IICJTNPGSA-N -1 0 610.258 5.805 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000408537619 572195675 /nfs/dbraw/zinc/19/56/75/572195675.db2.gz GKHWOJCAPVWETA-XSFVSMFZSA-N -1 0 545.430 5.482 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537917 572196438 /nfs/dbraw/zinc/19/64/38/572196438.db2.gz IACKSPVSTQAQQC-FMCGGJTJSA-N -1 0 667.929 7.488 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538321 572197434 /nfs/dbraw/zinc/19/74/34/572197434.db2.gz KZGWEGNKBJMODR-FMCGGJTJSA-N -1 0 686.375 8.523 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000408538248 572197464 /nfs/dbraw/zinc/19/74/64/572197464.db2.gz ZMXPEXBWYMFGFG-ODLFYWEKSA-N -1 0 618.665 6.059 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538376 572198115 /nfs/dbraw/zinc/19/81/15/572198115.db2.gz LVCDBORWPSAQSX-MSXFZWOLSA-N -1 0 648.455 6.735 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)cc3)C2=O)cc1 ZINC000408538346 572198234 /nfs/dbraw/zinc/19/82/34/572198234.db2.gz LIZGSJCYBHYPPA-MTDXEUNCSA-N -1 0 564.594 5.528 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538486 572198486 /nfs/dbraw/zinc/19/84/86/572198486.db2.gz NTEGFBYVYLEWLX-CFRMEGHHSA-N -1 0 737.357 6.953 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538495 572198549 /nfs/dbraw/zinc/19/85/49/572198549.db2.gz NVBNJBYRXRFREF-VQNDASPWSA-N -1 0 640.692 7.099 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538516 572198566 /nfs/dbraw/zinc/19/85/66/572198566.db2.gz OBZCAYSKTXVMEH-IWIPYMOSSA-N -1 0 682.354 7.589 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538503 572198807 /nfs/dbraw/zinc/19/88/07/572198807.db2.gz NXYSCDZFEWGKCL-OVVQPSECSA-N -1 0 601.030 6.702 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538701 572199217 /nfs/dbraw/zinc/19/92/17/572199217.db2.gz PHGFIOFIVSYNSU-MTDXEUNCSA-N -1 0 627.491 6.672 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538837 572199661 /nfs/dbraw/zinc/19/96/61/572199661.db2.gz CIAHDPPVEYRMCD-VULFUBBASA-N -1 0 705.989 7.643 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538882 572199827 /nfs/dbraw/zinc/19/98/27/572199827.db2.gz CXWOKLQGTXHUJC-QQXSKIMKSA-N -1 0 675.565 7.924 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408538951 572199852 /nfs/dbraw/zinc/19/98/52/572199852.db2.gz RYDYNICFRMAKHW-ZTKZIYFRSA-N -1 0 627.093 6.962 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538915 572200066 /nfs/dbraw/zinc/20/00/66/572200066.db2.gz RGEAUNCYZSBPDW-YZSQISJMSA-N -1 0 631.454 6.421 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538948 572200077 /nfs/dbraw/zinc/20/00/77/572200077.db2.gz RWZIIYJKJBBIPM-MYYYXRDXSA-N -1 0 647.511 7.225 40 10 KKCBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408539103 572201023 /nfs/dbraw/zinc/20/10/23/572201023.db2.gz SUBDVYFSWBCJOB-XHPQRKPJSA-N -1 0 528.605 5.900 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1 ZINC000408539302 572201365 /nfs/dbraw/zinc/20/13/65/572201365.db2.gz GPUDMWNTQZRVFV-BWAHOGKJSA-N -1 0 583.040 6.481 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000408539335 572201368 /nfs/dbraw/zinc/20/13/68/572201368.db2.gz VPDHAGQDMARYQT-LDADJPATSA-N -1 0 580.273 5.846 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539231 572201491 /nfs/dbraw/zinc/20/14/91/572201491.db2.gz GDZIZPNJAGKYPM-QRVIBDJDSA-N -1 0 740.832 8.006 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539325 572201511 /nfs/dbraw/zinc/20/15/11/572201511.db2.gz VLKCIMSBLWFZSS-NLRVBDNBSA-N -1 0 613.464 6.282 40 10 KKCBRM COc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539414 572202006 /nfs/dbraw/zinc/20/20/06/572202006.db2.gz HGQOZIRPCNPDIM-JVWAILMASA-N -1 0 569.013 6.173 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539522 572202380 /nfs/dbraw/zinc/20/23/80/572202380.db2.gz WYGMJXQDRLVJDI-ZXVVBBHZSA-N -1 0 566.585 6.049 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Br)c3)C2=O)cc1 ZINC000408539540 572202457 /nfs/dbraw/zinc/20/24/57/572202457.db2.gz XDOOVDRZGVBKGU-QFEZKATASA-N -1 0 750.396 6.831 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539471 572202560 /nfs/dbraw/zinc/20/25/60/572202560.db2.gz WMSJIDBVZAMWKQ-MZFJOGFUSA-N -1 0 749.614 7.870 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539468 572202581 /nfs/dbraw/zinc/20/25/81/572202581.db2.gz HXCGQYQVECIUQM-IMRQLAEWSA-N -1 0 550.636 5.685 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000408539680 572202934 /nfs/dbraw/zinc/20/29/34/572202934.db2.gz JJEZJTFZKSRMTK-ZTKZIYFRSA-N -1 0 715.597 7.470 40 10 KKCBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1[N+](=O)[O-] ZINC000408539885 572203693 /nfs/dbraw/zinc/20/36/93/572203693.db2.gz ZTTACQAZPYXLJL-KGENOOAVSA-N -1 0 579.451 5.712 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408539926 572203813 /nfs/dbraw/zinc/20/38/13/572203813.db2.gz ZZTUOYCDHMHIAP-WOJGMQOQSA-N -1 0 549.849 6.045 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540071 572204191 /nfs/dbraw/zinc/20/41/91/572204191.db2.gz MPRZXIXJGVNNSZ-USHMODERSA-N -1 0 592.648 6.308 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408540135 572204716 /nfs/dbraw/zinc/20/47/16/572204716.db2.gz NMWJXHURROBCKN-NJZRLIGZSA-N -1 0 694.781 7.496 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540452 572205829 /nfs/dbraw/zinc/20/58/29/572205829.db2.gz SAPGZXAMUZRYTC-DHRITJCHSA-N -1 0 691.962 7.253 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540663 572206485 /nfs/dbraw/zinc/20/64/85/572206485.db2.gz UZGYTHZJOUVMJT-QQXSKIMKSA-N -1 0 629.134 6.737 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000408540736 572206510 /nfs/dbraw/zinc/20/65/10/572206510.db2.gz VPDUOYAIEQKCJJ-USHMODERSA-N -1 0 701.570 7.080 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540893 572206900 /nfs/dbraw/zinc/20/69/00/572206900.db2.gz WVBOKCCGVBELHM-QRVIBDJDSA-N -1 0 651.930 7.788 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408541217 572207850 /nfs/dbraw/zinc/20/78/50/572207850.db2.gz YLMNXOUBNYFQDS-ONUIUJJFSA-N -1 0 583.040 6.481 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541332 572208457 /nfs/dbraw/zinc/20/84/57/572208457.db2.gz CGZVKCDJOFJVQQ-OVVQPSECSA-N -1 0 583.710 5.348 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543308 572212220 /nfs/dbraw/zinc/21/22/20/572212220.db2.gz OTZXLNMUNZCUFT-OVVQPSECSA-N -1 0 567.642 5.184 40 10 KKCBRM O=C([O-])c1ccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c3ccccc32)o1 ZINC000408543093 572212292 /nfs/dbraw/zinc/21/22/92/572212292.db2.gz OTKYKXHFWNQSGC-UHFFFAOYSA-N -1 0 547.592 5.729 40 10 KKCBRM O=C([O-])c1ccc(Cn2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c3ccccc32)o1 ZINC000408543736 572213738 /nfs/dbraw/zinc/21/37/38/572213738.db2.gz SOTSAEKYELSPQU-UHFFFAOYSA-N -1 0 531.524 5.564 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000408550064 572233353 /nfs/dbraw/zinc/23/33/53/572233353.db2.gz DEJIFCZRCOXQHQ-VBKFSLOCSA-N -1 0 502.354 5.669 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550398 572234203 /nfs/dbraw/zinc/23/42/03/572234203.db2.gz DIKZAEORVNTSES-MFOYZWKCSA-N -1 0 681.754 6.800 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408550974 572235356 /nfs/dbraw/zinc/23/53/56/572235356.db2.gz IQCAKNGEGIFXBX-FYJGNVAPSA-N -1 0 598.439 5.475 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408551246 572235834 /nfs/dbraw/zinc/23/58/34/572235834.db2.gz JSJHPSIRRBZEBW-OMCISZLKSA-N -1 0 613.668 6.638 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551428 572236171 /nfs/dbraw/zinc/23/61/71/572236171.db2.gz CSKYNEGHMNCJFJ-CFRMEGHHSA-N -1 0 680.928 6.918 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551619 572236469 /nfs/dbraw/zinc/23/64/69/572236469.db2.gz LLRISFUBLVNKNX-JAIQZWGSSA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551816 572236899 /nfs/dbraw/zinc/23/68/99/572236899.db2.gz MQMPADCUDDNPFF-NVMNQCDNSA-N -1 0 649.281 5.544 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552157 572237742 /nfs/dbraw/zinc/23/77/42/572237742.db2.gz OSIQOPWAAWKZKW-MFOYZWKCSA-N -1 0 590.872 5.504 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552529 572238604 /nfs/dbraw/zinc/23/86/04/572238604.db2.gz JINLJSSGTITDCU-REZTVBANSA-N -1 0 667.727 6.410 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552510 572238748 /nfs/dbraw/zinc/23/87/48/572238748.db2.gz QJZUNKHLRCVEHJ-NVMNQCDNSA-N -1 0 696.281 5.386 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408553210 572240176 /nfs/dbraw/zinc/24/01/76/572240176.db2.gz MTQZOEVARVRJJB-VXLYETTFSA-N -1 0 618.857 5.738 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553424 572240659 /nfs/dbraw/zinc/24/06/59/572240659.db2.gz WFXVPUWUQQPEJY-VXLYETTFSA-N -1 0 618.857 5.738 40 10 KKCBRM O=C(COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408553946 572241149 /nfs/dbraw/zinc/24/11/49/572241149.db2.gz XPDMVVYREIXMPA-VXLYETTFSA-N -1 0 544.778 5.331 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553962 572241184 /nfs/dbraw/zinc/24/11/84/572241184.db2.gz XTUJUJALIVDJPO-REZTVBANSA-N -1 0 714.727 6.252 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554140 572241437 /nfs/dbraw/zinc/24/14/37/572241437.db2.gz QJGXQGDSGYXPHF-PXNMLYILSA-N -1 0 667.727 6.410 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554050 572241483 /nfs/dbraw/zinc/24/14/83/572241483.db2.gz YQBMBABSQKAMRM-GIJQJNRQSA-N -1 0 667.727 6.492 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555202 572242478 /nfs/dbraw/zinc/24/24/78/572242478.db2.gz WHLMESCZCREDEB-ZDLGFXPLSA-N -1 0 579.223 5.984 40 10 KKCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555096 572242589 /nfs/dbraw/zinc/24/25/89/572242589.db2.gz VMJXHOOMSGBDRH-WQRHYEAKSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555438 572242790 /nfs/dbraw/zinc/24/27/90/572242790.db2.gz XLFFRZYERCOFKC-WQRHYEAKSA-N -1 0 589.229 5.440 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555427 572242806 /nfs/dbraw/zinc/24/28/06/572242806.db2.gz XIBDHZUTXKFKDQ-VCHYOVAHSA-N -1 0 607.219 5.579 40 10 KKCBRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408587196 572266524 /nfs/dbraw/zinc/26/65/24/572266524.db2.gz SDLAMGWMHWJUBO-UHFFFAOYSA-N -1 0 569.466 6.676 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1OCC ZINC000408602431 572273226 /nfs/dbraw/zinc/27/32/26/572273226.db2.gz NPEBQZGCLCHJIM-XMHGGMMESA-N -1 0 539.928 5.362 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408602489 572273239 /nfs/dbraw/zinc/27/32/39/572273239.db2.gz OSODYTRSZXLZFY-HAHDFKILSA-N -1 0 533.367 6.499 40 10 KKCBRM CCn1c(S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631152 572287135 /nfs/dbraw/zinc/28/71/35/572287135.db2.gz CJQSYTYXCZIVBY-FSJBWODESA-N -1 0 523.014 5.972 40 10 KKCBRM CCn1c(S/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631981 572288314 /nfs/dbraw/zinc/28/83/14/572288314.db2.gz CBDWHYHAVNKNKT-PDGQHHTCSA-N -1 0 507.841 5.665 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000408632225 572288623 /nfs/dbraw/zinc/28/86/23/572288623.db2.gz OVKWZXIWBDIVLL-YUMHPJSZSA-N -1 0 557.075 7.426 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632465 572288884 /nfs/dbraw/zinc/28/88/84/572288884.db2.gz JBFDNMWNVDMXDS-OYKKKHCWSA-N -1 0 522.602 5.747 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000408633059 572289676 /nfs/dbraw/zinc/28/96/76/572289676.db2.gz VOOIDGQCEYZHIK-NHDPSOOVSA-N -1 0 606.873 6.364 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633826 572290725 /nfs/dbraw/zinc/29/07/25/572290725.db2.gz MEZBKLDMQUZSRT-HMAPJEAMSA-N -1 0 557.901 7.006 40 10 KKCBRM Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408634835 572291981 /nfs/dbraw/zinc/29/19/81/572291981.db2.gz VHOAZWZRUNLZGF-JMIUGGIZSA-N -1 0 504.370 6.808 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408635033 572292063 /nfs/dbraw/zinc/29/20/63/572292063.db2.gz WYEPPFMYNPEFMN-HMAPJEAMSA-N -1 0 524.002 6.152 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408635126 572292193 /nfs/dbraw/zinc/29/21/93/572292193.db2.gz ZBQFKGKAHMCIOG-MXAYSNPKSA-N -1 0 644.535 6.521 40 10 KKCBRM CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1 ZINC000102686968 1069706709 /nfs/dbraw/zinc/70/67/09/1069706709.db2.gz DKJUIPAKCKMBOS-NCELDCMTSA-N -1 0 549.718 6.564 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)ccc1Br ZINC000408761290 1069737881 /nfs/dbraw/zinc/73/78/81/1069737881.db2.gz DFAHKLULZXPQRG-GIJQJNRQSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000408801376 1069741364 /nfs/dbraw/zinc/74/13/64/1069741364.db2.gz AHYTZFWPPSRNJZ-FYJGNVAPSA-N -1 0 553.840 6.273 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408859768 1069746691 /nfs/dbraw/zinc/74/66/91/1069746691.db2.gz ZMXQSCSKCFHIJE-XODNFHPESA-N -1 0 606.675 6.137 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408894402 1069751187 /nfs/dbraw/zinc/75/11/87/1069751187.db2.gz CIYWPTPPIUBQPY-JCMHNJIXSA-N -1 0 583.866 6.527 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408895838 1069751322 /nfs/dbraw/zinc/75/13/22/1069751322.db2.gz 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/nfs/dbraw/zinc/80/17/83/1069801783.db2.gz PQSSECXHSKLHTM-VXLYETTFSA-N -1 0 602.858 6.038 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1F ZINC000409376841 1069807356 /nfs/dbraw/zinc/80/73/56/1069807356.db2.gz DIBYDUCIXIIWER-UQQQWYQISA-N -1 0 644.453 5.851 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000408766853 1069869611 /nfs/dbraw/zinc/86/96/11/1069869611.db2.gz SZBNZDGUANJAPN-UDWIEESQSA-N -1 0 537.370 5.048 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408770768 1069869973 /nfs/dbraw/zinc/86/99/73/1069869973.db2.gz ABEUOSHCHWSVCZ-CIAFOILYSA-N -1 0 522.960 5.740 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000408771304 1069871064 /nfs/dbraw/zinc/87/10/64/1069871064.db2.gz FKZADERGCXRGEW-XQNSMLJCSA-N -1 0 532.090 6.227 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 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1069954991 /nfs/dbraw/zinc/95/49/91/1069954991.db2.gz CPIMCBORXSAQBC-MFKUBSTISA-N -1 0 648.453 6.097 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408805910 1069955039 /nfs/dbraw/zinc/95/50/39/1069955039.db2.gz IGQQGTUYYBLHHT-ZMOGYAJESA-N -1 0 677.451 6.305 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408808202 1069958812 /nfs/dbraw/zinc/95/88/12/1069958812.db2.gz FMSPCSTUMSZNPU-LPYMAVHISA-N -1 0 630.866 6.151 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2ccc(C)c(C)c2)c1 ZINC000408808617 1069959736 /nfs/dbraw/zinc/95/97/36/1069959736.db2.gz MRODZTSOVKSWPD-FSJBWODESA-N -1 0 504.970 5.519 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408808620 1069959848 /nfs/dbraw/zinc/95/98/48/1069959848.db2.gz JQTGXLCLZFVQJQ-UDWIEESQSA-N -1 0 616.839 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408810049 1069962853 /nfs/dbraw/zinc/96/28/53/1069962853.db2.gz IBRXOMCSNZTYNF-UDWIEESQSA-N -1 0 539.357 5.232 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408811644 1069966101 /nfs/dbraw/zinc/96/61/01/1069966101.db2.gz RMGQNRWFIXBULI-YDZHTSKRSA-N -1 0 534.996 5.610 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408810549 1069963939 /nfs/dbraw/zinc/96/39/39/1069963939.db2.gz MGSSZXFNNPVSQR-MFKUBSTISA-N -1 0 571.427 6.165 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408809287 1069961500 /nfs/dbraw/zinc/96/15/00/1069961500.db2.gz GTSVTLXXXOPXKX-OEAKJJBVSA-N -1 0 585.454 6.473 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)cc2Br)c1 ZINC000408811871 1069966744 /nfs/dbraw/zinc/96/67/44/1069966744.db2.gz WLCNMXMAHMESEA-FYJGNVAPSA-N -1 0 519.395 5.620 40 10 KKCBRM 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CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408823587 1069988199 /nfs/dbraw/zinc/98/81/99/1069988199.db2.gz NWPWLXFRUDTQND-SWIRUNBASA-N -1 0 758.702 9.515 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408819634 1069992459 /nfs/dbraw/zinc/99/24/59/1069992459.db2.gz ZTSKJSQDYRDTCH-FYJGNVAPSA-N -1 0 525.388 5.810 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1 ZINC000408823748 1069988986 /nfs/dbraw/zinc/98/89/86/1069988986.db2.gz GCPCSNUNJCRWHJ-PNYYEQKZSA-N -1 0 569.661 6.239 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408823665 1069989235 /nfs/dbraw/zinc/98/92/35/1069989235.db2.gz OIHXVKPVEDWIGZ-ITCJCKFQSA-N -1 0 698.194 8.602 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OC ZINC000408823747 1069989388 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/nfs/dbraw/zinc/02/89/03/1070028903.db2.gz XADPBBLSXKUMPE-ZCTHSVRISA-N -1 0 623.492 7.971 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)c(OC)cc1Cl ZINC000408837165 1070029534 /nfs/dbraw/zinc/02/95/34/1070029534.db2.gz ZMKTYUOBUOEURO-RQZCQDPDSA-N -1 0 606.256 6.019 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408837179 1070029912 /nfs/dbraw/zinc/02/99/12/1070029912.db2.gz ZRIUCFKTHNQNCC-OEAKJJBVSA-N -1 0 613.892 6.535 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1C ZINC000408834486 1070033590 /nfs/dbraw/zinc/03/35/90/1070033590.db2.gz VCIQOROQJFHAKW-JAIQZWGSSA-N -1 0 607.810 6.984 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)c(OC)cc1Cl ZINC000408834686 1070034796 /nfs/dbraw/zinc/03/47/96/1070034796.db2.gz WVRPJLIBRFPMFF-VCHYOVAHSA-N -1 0 541.387 5.564 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408837678 1070034827 /nfs/dbraw/zinc/03/48/27/1070034827.db2.gz LCNFKCKLUWVXCJ-LLXISZFLSA-N -1 0 633.726 5.050 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408834816 1070034992 /nfs/dbraw/zinc/03/49/92/1070034992.db2.gz MFKURBXJWAURQR-LQKURTRISA-N -1 0 631.454 6.421 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408835318 1070037013 /nfs/dbraw/zinc/03/70/13/1070037013.db2.gz XFAQXDHYJMPDBX-DHRITJCHSA-N -1 0 670.318 7.719 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408835081 1070036399 /nfs/dbraw/zinc/03/63/99/1070036399.db2.gz WAAQEQCYVZIKRC-MZJWZYIUSA-N -1 0 757.408 8.130 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408835808 1070038378 /nfs/dbraw/zinc/03/83/78/1070038378.db2.gz YLFVYYPCZGSDKV-CAOOACKPSA-N -1 0 602.383 5.173 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408843978 1070049650 /nfs/dbraw/zinc/04/96/50/1070049650.db2.gz GJCYRVSAUVWKBN-OVCLIPMQSA-N -1 0 722.613 7.424 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408844213 1070049778 /nfs/dbraw/zinc/04/97/78/1070049778.db2.gz HHYDHOAGWPKENW-KBVAKVRCSA-N -1 0 604.150 7.786 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408846397 1070053776 /nfs/dbraw/zinc/05/37/76/1070053776.db2.gz JEWCNMHMVLMCKO-CXUHLZMHSA-N -1 0 637.295 6.083 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408847481 1070055799 /nfs/dbraw/zinc/05/57/99/1070055799.db2.gz MYNSJCFPPALCRQ-UXBLZVDNSA-N -1 0 626.097 5.591 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408847795 1070056355 /nfs/dbraw/zinc/05/63/55/1070056355.db2.gz RVMSWVFTEQSVPI-SRZZPIQSSA-N -1 0 569.839 5.973 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408852419 1070059818 /nfs/dbraw/zinc/05/98/18/1070059818.db2.gz FNPPIKYGPXCHPV-RGVLZGJSSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C2=O)cc1C ZINC000408853137 1070060167 /nfs/dbraw/zinc/06/01/67/1070060167.db2.gz LWZUKSTWXKVTLH-COEJQBHMSA-N -1 0 582.616 7.003 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408848613 1070060885 /nfs/dbraw/zinc/06/08/85/1070060885.db2.gz RWDLIZUZMLKOEF-GZTJUZNOSA-N -1 0 531.392 5.551 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000408852059 1070058778 /nfs/dbraw/zinc/05/87/78/1070058778.db2.gz HLKWJUWPVNMMTE-XNTDXEJSSA-N -1 0 627.262 6.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408850756 1070065095 /nfs/dbraw/zinc/06/50/95/1070065095.db2.gz DUOTVCPPDBLZCX-RGVLZGJSSA-N -1 0 529.351 5.777 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408849729 1070062687 /nfs/dbraw/zinc/06/26/87/1070062687.db2.gz YTIFMGTYKZJLTE-LDADJPATSA-N -1 0 606.325 6.565 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408849697 1070062958 /nfs/dbraw/zinc/06/29/58/1070062958.db2.gz YAKJWULXCOCHKZ-OCSSWDANSA-N -1 0 532.640 6.400 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000408856449 1070066488 /nfs/dbraw/zinc/06/64/88/1070066488.db2.gz KEQBAKCHIKTPAV-CPNJWEJPSA-N -1 0 538.431 6.275 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408856672 1070067171 /nfs/dbraw/zinc/06/71/71/1070067171.db2.gz JOSDACNVICSRQL-RIYZIHGNSA-N -1 0 631.162 7.473 40 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5.849 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408869946 1070081197 /nfs/dbraw/zinc/08/11/97/1070081197.db2.gz UMAZHDRVNOTJCF-NDENLUEZSA-N -1 0 571.880 5.912 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408866402 1070085741 /nfs/dbraw/zinc/08/57/41/1070085741.db2.gz ICZNILDZRJZMQF-BKUYFWCQSA-N -1 0 598.412 5.703 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408867324 1070087565 /nfs/dbraw/zinc/08/75/65/1070087565.db2.gz KKFFCQLUHWVRIS-WOJGMQOQSA-N -1 0 557.803 5.898 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408870992 1070094741 /nfs/dbraw/zinc/09/47/41/1070094741.db2.gz WOTGOJGQPFVFPX-SSDVNMTOSA-N -1 0 567.867 6.294 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1 ZINC000408871058 1070095393 /nfs/dbraw/zinc/09/53/93/1070095393.db2.gz VRKJQWLKPKXFDQ-WSDLNYQXSA-N -1 0 534.366 5.231 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408872194 1070096694 /nfs/dbraw/zinc/09/66/94/1070096694.db2.gz AYIJTECIOJKPJO-BKUYFWCQSA-N -1 0 583.866 6.309 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408879635 1070104106 /nfs/dbraw/zinc/10/41/06/1070104106.db2.gz CAYRFSQNGOSDGE-CIAFOILYSA-N -1 0 567.867 6.375 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408879628 1070104117 /nfs/dbraw/zinc/10/41/17/1070104117.db2.gz CARMJGNHJQOZDD-CAOOACKPSA-N -1 0 639.127 6.784 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408875882 1070108844 /nfs/dbraw/zinc/10/88/44/1070108844.db2.gz LYNCQLGADOHOPL-JLPGSUDCSA-N -1 0 543.442 6.013 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408875532 1070107352 /nfs/dbraw/zinc/10/73/52/1070107352.db2.gz JUPUUNFKNCKAEX-CIAFOILYSA-N -1 0 569.839 5.767 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1Cl ZINC000408876451 1070109554 /nfs/dbraw/zinc/10/95/54/1070109554.db2.gz LICRUVFBZKPCIR-DEDYPNTBSA-N -1 0 530.205 6.013 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408878984 1070115947 /nfs/dbraw/zinc/11/59/47/1070115947.db2.gz DONTZWVNYMYZBU-UFFVCSGVSA-N -1 0 630.866 6.124 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408886070 1070119214 /nfs/dbraw/zinc/11/92/14/1070119214.db2.gz HTVQZCNQEMFASZ-FYJGNVAPSA-N -1 0 660.486 5.049 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C1=O ZINC000408883062 1070128676 /nfs/dbraw/zinc/12/86/76/1070128676.db2.gz QIFOSHAORLENBT-PXLXIMEGSA-N -1 0 514.940 6.186 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408888438 1070129352 /nfs/dbraw/zinc/12/93/52/1070129352.db2.gz ZWENFGYRMOCCSJ-WSDLNYQXSA-N 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6.319 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccccc2Br)c1 ZINC000408890471 1070133302 /nfs/dbraw/zinc/13/33/02/1070133302.db2.gz UHZHDITVPNETQD-XDHOZWIPSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408890480 1070133413 /nfs/dbraw/zinc/13/34/13/1070133413.db2.gz UKCLPPCEYQCYGX-LICLKQGHSA-N -1 0 531.779 5.901 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)c(C)c1 ZINC000408891122 1070133872 /nfs/dbraw/zinc/13/38/72/1070133872.db2.gz LUMUDUAEPXZFAK-XDHOZWIPSA-N -1 0 523.358 5.450 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408891287 1070134780 /nfs/dbraw/zinc/13/47/80/1070134780.db2.gz OCTQLFUMHVJGJN-XDHOZWIPSA-N -1 0 586.236 5.466 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408891470 1070134875 /nfs/dbraw/zinc/13/48/75/1070134875.db2.gz RBWQIJSBSIEONG-YBFXNURJSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408891477 1070135602 /nfs/dbraw/zinc/13/56/02/1070135602.db2.gz RDHJLJBUQOCKGX-WGOQTCKBSA-N -1 0 633.078 5.670 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Br)c(OC)c2)C1=O ZINC000408886907 1070137063 /nfs/dbraw/zinc/13/70/63/1070137063.db2.gz JTUWAGVPFNWAQA-UNOMPAQXSA-N -1 0 569.839 5.919 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408887324 1070137870 /nfs/dbraw/zinc/13/78/70/1070137870.db2.gz PORWUBIXCSAOHX-WOJGMQOQSA-N -1 0 559.833 6.599 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408887349 1070137939 /nfs/dbraw/zinc/13/79/39/1070137939.db2.gz PWGZACYSQJXHSD-KGENOOAVSA-N -1 0 535.358 6.531 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408887464 1070138622 /nfs/dbraw/zinc/13/86/22/1070138622.db2.gz QVHKQWGLMAYFJT-UDWIEESQSA-N -1 0 511.361 5.638 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)cc2)C1=O ZINC000408887612 1070138843 /nfs/dbraw/zinc/13/88/43/1070138843.db2.gz PKCIUBIOMZLYRA-UDWIEESQSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Br ZINC000408893683 1070140321 /nfs/dbraw/zinc/14/03/21/1070140321.db2.gz GSKTYXWNALKCAS-XSFVSMFZSA-N -1 0 521.367 5.093 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408895302 1070146014 /nfs/dbraw/zinc/14/60/14/1070146014.db2.gz DVIVCCLWIIUQKG-JLPGSUDCSA-N -1 0 504.970 5.683 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408894201 1070141959 /nfs/dbraw/zinc/14/19/59/1070141959.db2.gz BOTKGZOTLGYBNL-PKAZHMFMSA-N -1 0 690.534 7.186 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408894606 1070143616 /nfs/dbraw/zinc/14/36/16/1070143616.db2.gz RPKDLYXOEPIEHK-WGOQTCKBSA-N -1 0 706.387 7.435 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408895557 1070146837 /nfs/dbraw/zinc/14/68/37/1070146837.db2.gz LEURVDMMJNRGMY-UDWIEESQSA-N -1 0 616.839 5.897 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000408896699 1070151065 /nfs/dbraw/zinc/15/10/65/1070151065.db2.gz HMFHOZQIAQYLFH-UQQQWYQISA-N -1 0 515.522 5.019 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408895954 1070148559 /nfs/dbraw/zinc/14/85/59/1070148559.db2.gz JBMFOALTDBUSKQ-JAIQZWGSSA-N -1 0 614.290 6.082 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408896029 1070148564 /nfs/dbraw/zinc/14/85/64/1070148564.db2.gz GKDYYRSJBVVABR-ONUIUJJFSA-N -1 0 577.475 6.490 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892020 1070152768 /nfs/dbraw/zinc/15/27/68/1070152768.db2.gz XHYYXMQVOXSDNQ-XDHOZWIPSA-N -1 0 575.426 5.135 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408892164 1070152850 /nfs/dbraw/zinc/15/28/50/1070152850.db2.gz BOFGWYDTVCMCDN-DEDYPNTBSA-N -1 0 586.236 5.466 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408892336 1070153535 /nfs/dbraw/zinc/15/35/35/1070153535.db2.gz AOCYEKWIZFSYFX-KEBDBYFISA-N -1 0 634.829 6.036 40 10 KKCBRM O=C1/C(=C\c2cc(Br)c([O-])c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902128 1070160963 /nfs/dbraw/zinc/16/09/63/1070160963.db2.gz KOLDRQNCYGGVNJ-MDWZMJQESA-N -1 0 518.195 5.165 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408899998 1070160989 /nfs/dbraw/zinc/16/09/89/1070160989.db2.gz QXNTYFHSNDJFHK-IWIPYMOSSA-N -1 0 520.969 5.383 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408900201 1070161758 /nfs/dbraw/zinc/16/17/58/1070161758.db2.gz RXKMQNSIJPDAOB-PKAZHMFMSA-N -1 0 585.056 6.926 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408899644 1070159314 /nfs/dbraw/zinc/15/93/14/1070159314.db2.gz PRBOMIZMZMNJHD-JCMHNJIXSA-N -1 0 565.420 5.492 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408899736 1070159967 /nfs/dbraw/zinc/15/99/67/1070159967.db2.gz QDCYGDHTGKDACE-NDENLUEZSA-N -1 0 555.812 5.665 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Br)cc1 ZINC000408900373 1070162516 /nfs/dbraw/zinc/16/25/16/1070162516.db2.gz SEZZXHUTHGIFAV-UNOMPAQXSA-N -1 0 634.302 5.263 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408900718 1070165099 /nfs/dbraw/zinc/16/50/99/1070165099.db2.gz UAUNQJGNTFBPQG-XYGWBWBKSA-N -1 0 518.997 5.991 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408901117 1070166001 /nfs/dbraw/zinc/16/60/01/1070166001.db2.gz VWGFBXTWMSVJAC-HMAPJEAMSA-N -1 0 569.839 6.137 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408900893 1070166015 /nfs/dbraw/zinc/16/60/15/1070166015.db2.gz YSIPNTDTVFYNFW-WSDLNYQXSA-N -1 0 583.866 6.363 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 ZINC000408901127 1070166764 /nfs/dbraw/zinc/16/67/64/1070166764.db2.gz VZNOQVJANHDKLM-XYGWBWBKSA-N -1 0 577.475 6.490 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C1=O ZINC000408897193 1070170771 /nfs/dbraw/zinc/17/07/71/1070170771.db2.gz IDFABMSWDTUBJK-WQRHYEAKSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408901307 1070167781 /nfs/dbraw/zinc/16/77/81/1070167781.db2.gz XCKUZQWBFUPRMB-QQXSKIMKSA-N -1 0 514.578 5.346 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Cl)c1 ZINC000408898665 1070175365 /nfs/dbraw/zinc/17/53/65/1070175365.db2.gz QZPVHNLVTIBHLU-NDENLUEZSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408898062 1070173159 /nfs/dbraw/zinc/17/31/59/1070173159.db2.gz KBPIXQLYGNEOEZ-RQZCQDPDSA-N -1 0 669.153 7.163 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408903102 1070185637 /nfs/dbraw/zinc/18/56/37/1070185637.db2.gz PEDQKRCPIDZQBE-SEJMYLSOSA-N -1 0 522.193 5.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408910054 1070200191 /nfs/dbraw/zinc/20/01/91/1070200191.db2.gz IXJPQVRZBXSUDD-VXLYETTFSA-N -1 0 576.749 5.329 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408910100 1070200447 /nfs/dbraw/zinc/20/04/47/1070200447.db2.gz JDZMCFZKJJAOCP-ZMOGYAJESA-N -1 0 544.966 6.276 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408917358 1070207695 /nfs/dbraw/zinc/20/76/95/1070207695.db2.gz RUJMDDHNMZGXBD-GRSHGNNSSA-N -1 0 514.937 5.037 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408914574 1070213622 /nfs/dbraw/zinc/21/36/22/1070213622.db2.gz QVWMTJXZAUQOCN-CVKSISIWSA-N -1 0 527.527 5.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408915128 1070215475 /nfs/dbraw/zinc/21/54/75/1070215475.db2.gz VARDELNXIOETAM-ZMOGYAJESA-N -1 0 589.417 6.386 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=O)cc2Br)c1 ZINC000408934133 1070268495 /nfs/dbraw/zinc/26/84/95/1070268495.db2.gz CNCADTXMSFICMK-MZJWZYIUSA-N -1 0 680.382 8.197 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000408934253 1070268430 /nfs/dbraw/zinc/26/84/30/1070268430.db2.gz DJOMYSGTYHDFLS-JFLMPSFJSA-N -1 0 591.422 6.957 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Br)cc4)c3)C2=O)c(C)c1 ZINC000408933906 1070267402 /nfs/dbraw/zinc/26/74/02/1070267402.db2.gz CCJAJAJUTAUDBH-HMAPJEAMSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408936470 1070276671 /nfs/dbraw/zinc/27/66/71/1070276671.db2.gz JZZMHSCQPZMSNL-RGVLZGJSSA-N -1 0 556.358 5.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408939436 1070282690 /nfs/dbraw/zinc/28/26/90/1070282690.db2.gz SNRWKYZYOMUFTR-WPWMEQJKSA-N -1 0 601.030 6.702 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408937816 1070292667 /nfs/dbraw/zinc/29/26/67/1070292667.db2.gz PBAQZMHZBYLQEI-CVKSISIWSA-N -1 0 679.926 7.465 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000408937349 1070291174 /nfs/dbraw/zinc/29/11/74/1070291174.db2.gz OCXLWVBJBPHZAF-CVKSISIWSA-N -1 0 591.422 6.957 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408943359 1070304661 /nfs/dbraw/zinc/30/46/61/1070304661.db2.gz SBILYRWNKPRFKR-UDWIEESQSA-N -1 0 601.207 5.365 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000408946732 1070310031 /nfs/dbraw/zinc/31/00/31/1070310031.db2.gz AWPMQXXHSQLVIC-WKULSOCRSA-N -1 0 535.644 5.934 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408952634 1070314645 /nfs/dbraw/zinc/31/46/45/1070314645.db2.gz ONSUNKCNKDAJOO-FJEPWZHXSA-N -1 0 759.641 7.150 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408956765 1070324063 /nfs/dbraw/zinc/32/40/63/1070324063.db2.gz YIWGEMRQRCAMTJ-JJFYIABZSA-N -1 0 601.409 5.585 40 10 KKCBRM CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956966 1070324284 /nfs/dbraw/zinc/32/42/84/1070324284.db2.gz ZKADOVKFQFRMIO-AUEPDCJTSA-N -1 0 686.397 6.288 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408981220 1070338391 /nfs/dbraw/zinc/33/83/91/1070338391.db2.gz AEXWJMHJFHQRLQ-JMIUGGIZSA-N -1 0 559.833 6.599 40 10 KKCBRM CC(C)(C)c1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c2)cc1 ZINC000408970563 1070335263 /nfs/dbraw/zinc/33/52/63/1070335263.db2.gz BKMLUWYBZFXUBS-UQQQWYQISA-N -1 0 533.671 6.546 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)c1 ZINC000408974558 1070336042 /nfs/dbraw/zinc/33/60/42/1070336042.db2.gz ZRMSJIURSRMFCY-BKUYFWCQSA-N -1 0 526.433 6.132 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408983158 1070342156 /nfs/dbraw/zinc/34/21/56/1070342156.db2.gz LBDSIHKOPFCOQD-MTJSOVHGSA-N -1 0 508.933 5.296 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5ccccc5c4)c(OC)c3)C2=O)cc1 ZINC000408983889 1070343038 /nfs/dbraw/zinc/34/30/38/1070343038.db2.gz NYUDCIZGBPCHIE-MYYYXRDXSA-N -1 0 632.454 6.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408985823 1070347197 /nfs/dbraw/zinc/34/71/97/1070347197.db2.gz BCYNSUFWBVTCSE-HZHRSRAPSA-N -1 0 500.620 5.421 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408987500 1070349792 /nfs/dbraw/zinc/34/97/92/1070349792.db2.gz BFNLLFIYNVHHBT-KGENOOAVSA-N -1 0 672.169 7.093 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408984600 1070352794 /nfs/dbraw/zinc/35/27/94/1070352794.db2.gz JENRWPTUXGGTLU-MTJSOVHGSA-N -1 0 598.291 6.328 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408984752 1070353128 /nfs/dbraw/zinc/35/31/28/1070353128.db2.gz JUTQFXJKLDUCOE-NVMNQCDNSA-N -1 0 653.154 7.326 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408995274 1070363367 /nfs/dbraw/zinc/36/33/67/1070363367.db2.gz LRDHLDZBEHSTAX-HZHRSRAPSA-N -1 0 584.435 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Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c(C)c1 ZINC000409265762 1070689773 /nfs/dbraw/zinc/68/97/73/1070689773.db2.gz ORYZCMKSXDTSBP-DJKKODMXSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c(C)c1 ZINC000409252182 1070683349 /nfs/dbraw/zinc/68/33/49/1070683349.db2.gz RCUOPXCQBSTPQT-NHDPSOOVSA-N -1 0 566.441 5.911 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1C ZINC000409252501 1070683732 /nfs/dbraw/zinc/68/37/32/1070683732.db2.gz SVZQZJYINWPGBR-NDENLUEZSA-N -1 0 596.865 5.712 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409268094 1070693429 /nfs/dbraw/zinc/69/34/29/1070693429.db2.gz ZKWOSXJNADQCST-UUYOSTAYSA-N -1 0 641.316 5.821 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409268872 1070694178 /nfs/dbraw/zinc/69/41/78/1070694178.db2.gz 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/nfs/dbraw/zinc/69/69/62/1070696962.db2.gz AIRXYRHEDGOJFS-JAIQZWGSSA-N -1 0 675.761 6.474 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409270056 1070704670 /nfs/dbraw/zinc/70/46/70/1070704670.db2.gz BNHUYPNXVJNPFJ-BKUYFWCQSA-N -1 0 608.514 5.313 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409271192 1070707858 /nfs/dbraw/zinc/70/78/58/1070707858.db2.gz KHLYMKAJHRUZOE-IWIPYMOSSA-N -1 0 541.604 5.003 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409272560 1070710463 /nfs/dbraw/zinc/71/04/63/1070710463.db2.gz ZYIQJWGLSFOARO-UCQKPKSFSA-N -1 0 622.074 5.528 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000409275604 1070719309 /nfs/dbraw/zinc/71/93/09/1070719309.db2.gz KMOZGKMMUZFTTM-KEBDBYFISA-N -1 0 502.331 5.871 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c(Cc2ccccc2Br)c1 ZINC000408881148 1070784109 /nfs/dbraw/zinc/78/41/09/1070784109.db2.gz IFJLEXVJOOHKMO-PXLXIMEGSA-N -1 0 519.395 5.332 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408880363 1070788252 /nfs/dbraw/zinc/78/82/52/1070788252.db2.gz INRJKSCPJBVDGP-MOSHPQCFSA-N -1 0 507.409 5.168 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408880259 1070789251 /nfs/dbraw/zinc/78/92/51/1070789251.db2.gz FTFMRGBOBRBOAD-UNOMPAQXSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408879956 1070790606 /nfs/dbraw/zinc/79/06/06/1070790606.db2.gz IAAMKXRYBWWTLV-YZSQISJMSA-N -1 0 540.597 5.199 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408879936 1070790676 /nfs/dbraw/zinc/79/06/76/1070790676.db2.gz GEAAKIOWPCDMJH-LFVJCYFKSA-N -1 0 524.504 5.011 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408880981 1070785135 /nfs/dbraw/zinc/78/51/35/1070785135.db2.gz KYTOTXSQWFBNIA-ODLFYWEKSA-N -1 0 541.854 5.533 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408880809 1070785904 /nfs/dbraw/zinc/78/59/04/1070785904.db2.gz KXKKVCLONIKPLN-MOSHPQCFSA-N -1 0 567.411 5.795 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408880748 1070786990 /nfs/dbraw/zinc/78/69/90/1070786990.db2.gz IKWJJQSPTRCAHO-LPYMAVHISA-N -1 0 539.813 5.965 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1Cc1ccccc1Br ZINC000408878437 1070800974 /nfs/dbraw/zinc/80/09/74/1070800974.db2.gz ASDVGUSECPXZJG-DEDYPNTBSA-N -1 0 505.368 5.023 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408879222 1070795356 /nfs/dbraw/zinc/79/53/56/1070795356.db2.gz BIQVVSLQFXOGMR-FYJGNVAPSA-N -1 0 567.823 5.536 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408878908 1070796901 /nfs/dbraw/zinc/79/69/01/1070796901.db2.gz BPUHYHMDGKPMAB-LICLKQGHSA-N -1 0 580.649 6.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408878860 1070798073 /nfs/dbraw/zinc/79/80/73/1070798073.db2.gz CSOQEZFEYIYMHH-JVWAILMASA-N -1 0 662.455 6.275 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408878300 1070799412 /nfs/dbraw/zinc/79/94/12/1070799412.db2.gz ZWUIBTZJQQWEOX-FYJGNVAPSA-N -1 0 507.359 5.408 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408877904 1070803241 /nfs/dbraw/zinc/80/32/41/1070803241.db2.gz VJQCRNDAJZWMSI-ZVHZXABRSA-N -1 0 502.998 5.921 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408877936 1070803295 /nfs/dbraw/zinc/80/32/95/1070803295.db2.gz YKEPHKCIEIQKKZ-RGVLZGJSSA-N -1 0 553.840 5.985 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1Cc1ccccc1F ZINC000408877731 1070803966 /nfs/dbraw/zinc/80/39/66/1070803966.db2.gz YDGKCXWRBMCMLA-RGVLZGJSSA-N -1 0 584.385 5.313 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408877855 1070804796 /nfs/dbraw/zinc/80/47/96/1070804796.db2.gz UXYNYUUUUAOHMY-LPYMAVHISA-N -1 0 537.385 5.416 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3Br)C2=O)c1 ZINC000408877594 1070806056 /nfs/dbraw/zinc/80/60/56/1070806056.db2.gz SQTYRPAGRDUZOZ-KGENOOAVSA-N -1 0 554.238 5.777 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1Cc1ccccc1Cl ZINC000408877695 1070807141 /nfs/dbraw/zinc/80/71/41/1070807141.db2.gz XVJGAOAZZYNDJN-FYJGNVAPSA-N -1 0 539.813 5.758 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408877564 1070808376 /nfs/dbraw/zinc/80/83/76/1070808376.db2.gz SKCALNPVOKYRCK-OEAKJJBVSA-N -1 0 550.970 5.312 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408888787 1070812023 /nfs/dbraw/zinc/81/20/23/1070812023.db2.gz ASEVCRFJKUYMQX-FYJGNVAPSA-N -1 0 539.357 5.232 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408888407 1070814671 /nfs/dbraw/zinc/81/46/71/1070814671.db2.gz ZPNAYFIUBMOJBH-HZHRSRAPSA-N -1 0 606.270 6.610 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000408888188 1070815687 /nfs/dbraw/zinc/81/56/87/1070815687.db2.gz XTOYJFGLISEUKX-NDENLUEZSA-N -1 0 600.384 5.247 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1Br ZINC000408887521 1070819474 /nfs/dbraw/zinc/81/94/74/1070819474.db2.gz RHTULOHFMWVGAH-KGENOOAVSA-N -1 0 549.421 5.710 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408897186 1070822590 /nfs/dbraw/zinc/82/25/90/1070822590.db2.gz IANHXXJKYYIOPV-UUYOSTAYSA-N -1 0 603.886 7.080 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408897155 1070823268 /nfs/dbraw/zinc/82/32/68/1070823268.db2.gz WIKYKHUDFQQZPP-DEDYPNTBSA-N -1 0 541.785 5.357 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408897232 1070823611 /nfs/dbraw/zinc/82/36/11/1070823611.db2.gz IMGDRGZKTRAPFP-UNOMPAQXSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408897199 1070823846 /nfs/dbraw/zinc/82/38/46/1070823846.db2.gz QQMPXBGOBHZBNL-MTJSOVHGSA-N -1 0 551.462 5.485 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408897257 1070825164 /nfs/dbraw/zinc/82/51/64/1070825164.db2.gz RBRQSFKLZMEDCQ-UDWIEESQSA-N -1 0 630.289 5.864 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408896719 1070828394 /nfs/dbraw/zinc/82/83/94/1070828394.db2.gz HORKYHCHBDLNJZ-JLPGSUDCSA-N -1 0 583.866 6.527 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408896742 1070828548 /nfs/dbraw/zinc/82/85/48/1070828548.db2.gz HSRIPXBJUGAPQB-MOSHPQCFSA-N -1 0 500.979 5.371 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408896754 1070829290 /nfs/dbraw/zinc/82/92/90/1070829290.db2.gz HVBAAJDGLWXTIG-HMAPJEAMSA-N -1 0 552.986 5.912 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408896824 1070829671 /nfs/dbraw/zinc/82/96/71/1070829671.db2.gz TYMNGCRUUFCNDT-MFKUBSTISA-N -1 0 647.909 6.936 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408896471 1070832618 /nfs/dbraw/zinc/83/26/18/1070832618.db2.gz NTBBIOVGDFMQGL-UDWIEESQSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408896502 1070832950 /nfs/dbraw/zinc/83/29/50/1070832950.db2.gz NWVBTIPPYOSPNM-YDZHTSKRSA-N -1 0 624.475 6.169 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408896545 1070833010 /nfs/dbraw/zinc/83/30/10/1070833010.db2.gz RWFCHFHYHKQORL-RQZCQDPDSA-N -1 0 640.295 5.507 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1C ZINC000408896339 1070834486 /nfs/dbraw/zinc/83/44/86/1070834486.db2.gz KNCHLVJRZXEXFE-QQXSKIMKSA-N -1 0 569.455 6.773 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408896184 1070835976 /nfs/dbraw/zinc/83/59/76/1070835976.db2.gz PYTJLUPOIIFBKM-VXLYETTFSA-N -1 0 515.324 5.387 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408895846 1070839093 /nfs/dbraw/zinc/83/90/93/1070839093.db2.gz FWCHRXHXTJWFFA-VEILYXNESA-N -1 0 643.534 7.425 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408895923 1070839671 /nfs/dbraw/zinc/83/96/71/1070839671.db2.gz GDMKNUWMHQFTMV-GRSHGNNSSA-N -1 0 573.802 5.804 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408895253 1070846808 /nfs/dbraw/zinc/84/68/08/1070846808.db2.gz DFYJFSOSZMHQSI-UCQKPKSFSA-N -1 0 597.437 6.021 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000408895786 1070842242 /nfs/dbraw/zinc/84/22/42/1070842242.db2.gz LXBOMSZWNHIMOV-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cc(I)c([O-])c(I)c3)SC2=S)c1 ZINC000409339694 1070845252 /nfs/dbraw/zinc/84/52/52/1070845252.db2.gz KSIZBWZMEJSNDD-ZSOIEALJSA-N -1 0 579.222 5.316 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408895249 1070845476 /nfs/dbraw/zinc/84/54/76/1070845476.db2.gz DDHOSWHWDUENGF-IWIPYMOSSA-N -1 0 583.468 6.816 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408894740 1070852076 /nfs/dbraw/zinc/85/20/76/1070852076.db2.gz FNGZLXGAZNIQBN-JAIQZWGSSA-N -1 0 661.290 5.925 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408894703 1070852472 /nfs/dbraw/zinc/85/24/72/1070852472.db2.gz KSNOOVZLOQMNEB-YDZHTSKRSA-N -1 0 518.997 5.909 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408894429 1070855699 /nfs/dbraw/zinc/85/56/99/1070855699.db2.gz HZZDWYSZGFERJE-QNGOZBTKSA-N -1 0 545.364 5.987 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408894423 1070855765 /nfs/dbraw/zinc/85/57/65/1070855765.db2.gz CJWUOEZTNVAKSW-HAHDFKILSA-N -1 0 535.940 5.282 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408894228 1070856343 /nfs/dbraw/zinc/85/63/43/1070856343.db2.gz BRMBDGHBSZNQEY-HMAPJEAMSA-N -1 0 569.839 6.137 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408893805 1070859452 /nfs/dbraw/zinc/85/94/52/1070859452.db2.gz FVVGTEMPKGHUHJ-LICLKQGHSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408893655 1070860819 /nfs/dbraw/zinc/86/08/19/1070860819.db2.gz GKOPVMCJSGXVCC-WOJGMQOQSA-N -1 0 651.284 6.551 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408893640 1070861219 /nfs/dbraw/zinc/86/12/19/1070861219.db2.gz BKCFZLBWLSMVLR-QRVIBDJDSA-N -1 0 664.350 7.236 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408893497 1070862581 /nfs/dbraw/zinc/86/25/81/1070862581.db2.gz AUPQJBYNFJFQOL-HAHDFKILSA-N -1 0 690.512 5.221 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408893597 1070864722 /nfs/dbraw/zinc/86/47/22/1070864722.db2.gz BGLPLWQYRPKQJP-HAHDFKILSA-N -1 0 553.384 5.622 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408893415 1070864963 /nfs/dbraw/zinc/86/49/63/1070864963.db2.gz AFWGWPNCSTXJRP-GRSHGNNSSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408893073 1070867009 /nfs/dbraw/zinc/86/70/09/1070867009.db2.gz FGTVPYOAYFRTNS-XDHOZWIPSA-N -1 0 614.290 6.164 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408893016 1070869459 /nfs/dbraw/zinc/86/94/59/1070869459.db2.gz DRVRJQDIXUITQZ-VCHYOVAHSA-N -1 0 590.655 6.110 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)C1=O ZINC000408892888 1070870381 /nfs/dbraw/zinc/87/03/81/1070870381.db2.gz ACDVAIWOPDDTOY-ODLFYWEKSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C1=O ZINC000408892742 1070871132 /nfs/dbraw/zinc/87/11/32/1070871132.db2.gz CRAIIQQWVMDVNC-YBFXNURJSA-N -1 0 515.780 6.201 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408892408 1070872527 /nfs/dbraw/zinc/87/25/27/1070872527.db2.gz BAHDNMPGIUUUHA-KEBDBYFISA-N -1 0 618.311 7.017 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408891760 1070875283 /nfs/dbraw/zinc/87/52/83/1070875283.db2.gz UWRDOGYCMMFPNQ-KGENOOAVSA-N -1 0 583.822 5.525 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408891479 1070877203 /nfs/dbraw/zinc/87/72/03/1070877203.db2.gz REFGVCKOELAZRL-WOJGMQOQSA-N -1 0 648.735 6.818 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408891309 1070877557 /nfs/dbraw/zinc/87/75/57/1070877557.db2.gz OJDKKYHVTNMKJW-NDENLUEZSA-N -1 0 614.411 5.691 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cc(C)cc(C)c3)ccc3ccccc32)C1=O ZINC000408890735 1070881078 /nfs/dbraw/zinc/88/10/78/1070881078.db2.gz YIWYACFEESNFQZ-IMRQLAEWSA-N -1 0 504.586 6.264 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408891498 1070877641 /nfs/dbraw/zinc/87/76/41/1070877641.db2.gz RMBQEMJJHQMKSR-WGOQTCKBSA-N -1 0 617.485 7.217 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408891372 1070878490 /nfs/dbraw/zinc/87/84/90/1070878490.db2.gz POTKHEONUBDSKR-VXLYETTFSA-N -1 0 556.358 5.546 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408891413 1070878592 /nfs/dbraw/zinc/87/85/92/1070878592.db2.gz QGHMBROCAGBEGU-DEDYPNTBSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409365119 1070881649 /nfs/dbraw/zinc/88/16/49/1070881649.db2.gz SRZAEAVAEPTKGS-KEBDBYFISA-N -1 0 677.854 5.475 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891424 1070879127 /nfs/dbraw/zinc/87/91/27/1070879127.db2.gz QJCXSGIWOBRWJK-VCHYOVAHSA-N -1 0 649.235 5.013 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408890330 1070883199 /nfs/dbraw/zinc/88/31/99/1070883199.db2.gz RNDUUHMNZHPANB-UYRXBGFRSA-N -1 0 527.827 5.513 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408890126 1070884195 /nfs/dbraw/zinc/88/41/95/1070884195.db2.gz OFYOFUHWWHLUGZ-WQRHYEAKSA-N -1 0 649.304 5.473 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408890207 1070884431 /nfs/dbraw/zinc/88/44/31/1070884431.db2.gz PRFAIZJYBQDGCJ-WOJGMQOQSA-N -1 0 587.829 6.194 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408890179 1070884466 /nfs/dbraw/zinc/88/44/66/1070884466.db2.gz PDVROJMMUZYQCG-DEDYPNTBSA-N -1 0 570.237 5.765 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408889474 1070888829 /nfs/dbraw/zinc/88/88/29/1070888829.db2.gz HGDRKZYDYLFKAA-WOJGMQOQSA-N -1 0 546.204 6.001 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408889128 1070890211 /nfs/dbraw/zinc/89/02/11/1070890211.db2.gz DXMXFTCKMATAJI-LPYMAVHISA-N -1 0 563.404 5.098 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(CC)CC)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409375160 1070898275 /nfs/dbraw/zinc/89/82/75/1070898275.db2.gz GNHKLTUZKKYVJV-NLRVBDNBSA-N -1 0 500.668 5.334 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)c2)cc1C ZINC000409381677 1070898753 /nfs/dbraw/zinc/89/87/53/1070898753.db2.gz IMGWFRMAVIKFMB-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409378590 1070905304 /nfs/dbraw/zinc/90/53/04/1070905304.db2.gz QGFSPCHPQBPPRS-UDWIEESQSA-N -1 0 569.452 5.570 40 10 KKCBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408902736 1070909118 /nfs/dbraw/zinc/90/91/18/1070909118.db2.gz QSNFGROCAQWJAD-RIYZIHGNSA-N -1 0 529.231 5.081 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409386886 1070909172 /nfs/dbraw/zinc/90/91/72/1070909172.db2.gz OIORKIVSAMMPHL-FYJGNVAPSA-N -1 0 539.426 5.561 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408901560 1070918948 /nfs/dbraw/zinc/91/89/48/1070918948.db2.gz YUSNXATYIVPKHL-UCQKPKSFSA-N -1 0 613.892 6.535 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408902400 1070911239 /nfs/dbraw/zinc/91/12/39/1070911239.db2.gz IMDRLEQQDQVUTH-CIAFOILYSA-N -1 0 657.315 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408902510 1070911690 /nfs/dbraw/zinc/91/16/90/1070911690.db2.gz IRCFDLIOVAMDQI-RGVLZGJSSA-N -1 0 661.278 5.433 40 10 KKCBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408902264 1070912637 /nfs/dbraw/zinc/91/26/37/1070912637.db2.gz MPLVNVZHWILYJB-UDWIEESQSA-N -1 0 699.329 6.579 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1 ZINC000409399578 1070913919 /nfs/dbraw/zinc/91/39/19/1070913919.db2.gz JSTXJDVHDBCJHE-ODLFYWEKSA-N -1 0 528.746 5.051 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408901390 1070920574 /nfs/dbraw/zinc/92/05/74/1070920574.db2.gz XRRAPBRNHYZEDU-JLPGSUDCSA-N -1 0 518.541 5.259 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408901379 1070920722 /nfs/dbraw/zinc/92/07/22/1070920722.db2.gz XNWXCLAKRUBVRJ-XYGWBWBKSA-N -1 0 654.501 6.423 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408901286 1070922565 /nfs/dbraw/zinc/92/25/65/1070922565.db2.gz WUGZOXZTHLNTCA-UCQKPKSFSA-N -1 0 579.993 5.681 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408901289 1070922711 /nfs/dbraw/zinc/92/27/11/1070922711.db2.gz WVIBJXPJCLRVLS-IWIPYMOSSA-N -1 0 571.427 6.165 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)ccc1Br ZINC000408901293 1070922827 /nfs/dbraw/zinc/92/28/27/1070922827.db2.gz WWPOGEGQDIAZPM-NDENLUEZSA-N -1 0 560.231 6.310 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408901319 1070922940 /nfs/dbraw/zinc/92/29/40/1070922940.db2.gz XEMOTHNIHBVAAY-IWIPYMOSSA-N -1 0 611.464 6.411 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408901326 1070923653 /nfs/dbraw/zinc/92/36/53/1070923653.db2.gz XFBGFNPDHCKKPP-XKZIYDEJSA-N -1 0 573.860 7.071 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408901121 1070924515 /nfs/dbraw/zinc/92/45/15/1070924515.db2.gz VWZSNROZMRSTPD-HAHDFKILSA-N -1 0 583.866 6.527 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408901141 1070924990 /nfs/dbraw/zinc/92/49/90/1070924990.db2.gz WGFSKDPCLSHBPT-UCQKPKSFSA-N -1 0 660.892 6.378 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408901158 1070925048 /nfs/dbraw/zinc/92/50/48/1070925048.db2.gz WLLPZNMFJORZOE-ODLFYWEKSA-N -1 0 695.735 6.660 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408900882 1070928089 /nfs/dbraw/zinc/92/80/89/1070928089.db2.gz YOQOYHUBGJMKKY-YDZHTSKRSA-N -1 0 626.447 5.561 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408901034 1070926360 /nfs/dbraw/zinc/92/63/60/1070926360.db2.gz ZJOHKFLMLLUPEZ-YDZHTSKRSA-N -1 0 624.475 6.169 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408900837 1070927356 /nfs/dbraw/zinc/92/73/56/1070927356.db2.gz XYTYXVMMEYQTJS-LZYBPNLTSA-N -1 0 566.224 6.554 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OC(C)C ZINC000408900750 1070930160 /nfs/dbraw/zinc/93/01/60/1070930160.db2.gz UMRRGKKUZJDMSV-SXGWCWSVSA-N -1 0 613.246 5.214 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408900493 1070930678 /nfs/dbraw/zinc/93/06/78/1070930678.db2.gz TTWSHWBZTPREFT-HMAPJEAMSA-N -1 0 580.391 5.392 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900496 1070931058 /nfs/dbraw/zinc/93/10/58/1070931058.db2.gz TUQHZKIGTYZPQE-IWIPYMOSSA-N -1 0 627.919 6.926 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408900476 1070934398 /nfs/dbraw/zinc/93/43/98/1070934398.db2.gz SWORIVSCYFUPKL-ULJHMMPZSA-N -1 0 500.551 5.120 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408900569 1070931613 /nfs/dbraw/zinc/93/16/13/1070931613.db2.gz YWLOLIOJMJBGPO-XKZIYDEJSA-N -1 0 535.394 5.320 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408899960 1070939308 /nfs/dbraw/zinc/93/93/08/1070939308.db2.gz QSIKTUFDCWPCPC-MYYYXRDXSA-N -1 0 607.501 6.499 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408900329 1070936571 /nfs/dbraw/zinc/93/65/71/1070936571.db2.gz RZMCLHJDWCJMTN-VEILYXNESA-N -1 0 613.110 7.625 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408899611 1070945162 /nfs/dbraw/zinc/94/51/62/1070945162.db2.gz PLTHOBZIXQHRMR-BRPDVVIDSA-N -1 0 578.665 6.971 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408899336 1070945204 /nfs/dbraw/zinc/94/52/04/1070945204.db2.gz ONXACJBRDXSBNP-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000408899847 1070942335 /nfs/dbraw/zinc/94/23/35/1070942335.db2.gz WFEMPODPQLCKAN-ODLFYWEKSA-N -1 0 560.231 6.310 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408899681 1070942877 /nfs/dbraw/zinc/94/28/77/1070942877.db2.gz PVLMFVSDLNEARI-MTJSOVHGSA-N -1 0 695.337 7.031 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408898821 1070952678 /nfs/dbraw/zinc/95/26/78/1070952678.db2.gz MUBKNBMDRXMVIZ-HAHDFKILSA-N -1 0 525.388 6.028 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408898937 1070950611 /nfs/dbraw/zinc/95/06/11/1070950611.db2.gz NGWFGZIVMCEDQC-XKZIYDEJSA-N -1 0 549.421 5.628 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408898917 1070950855 /nfs/dbraw/zinc/95/08/55/1070950855.db2.gz NEQBHJCPVWXPDH-XYGWBWBKSA-N -1 0 514.578 5.346 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408898422 1070958380 /nfs/dbraw/zinc/95/83/80/1070958380.db2.gz MEPPLDKJGWCFLN-UCQKPKSFSA-N -1 0 573.860 7.071 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408898460 1070955340 /nfs/dbraw/zinc/95/53/40/1070955340.db2.gz LNNAPYWJZSUXFD-HZHRSRAPSA-N -1 0 500.913 5.878 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408898521 1070956037 /nfs/dbraw/zinc/95/60/37/1070956037.db2.gz MBQDFAXMOWBUQN-PXLXIMEGSA-N -1 0 548.979 5.161 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408898338 1070956822 /nfs/dbraw/zinc/95/68/22/1070956822.db2.gz LHKBKTPCWDNGQW-KQWNVCNZSA-N -1 0 583.866 6.527 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408898377 1070957543 /nfs/dbraw/zinc/95/75/43/1070957543.db2.gz KUVRGFDZVSXVGI-YBFXNURJSA-N -1 0 600.384 5.301 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408898157 1070958356 /nfs/dbraw/zinc/95/83/56/1070958356.db2.gz VEKPRZOHAHOPAP-WSDLNYQXSA-N -1 0 505.914 5.110 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408897774 1070964349 /nfs/dbraw/zinc/96/43/49/1070964349.db2.gz TYCBPRRGLCRLTG-YDZHTSKRSA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2)cc1C ZINC000408898258 1070959608 /nfs/dbraw/zinc/95/96/08/1070959608.db2.gz PMBRILCIAGMTGN-UCQKPKSFSA-N -1 0 519.395 5.620 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408898123 1070961659 /nfs/dbraw/zinc/96/16/59/1070961659.db2.gz KRYZCHFKIRZVCK-WQRHYEAKSA-N -1 0 541.398 5.007 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408897947 1070962807 /nfs/dbraw/zinc/96/28/07/1070962807.db2.gz JTTUNQNEOZIBOM-UCQKPKSFSA-N -1 0 534.996 5.691 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408897662 1070965767 /nfs/dbraw/zinc/96/57/67/1070965767.db2.gz SKFNWLXATVWFGW-FYJGNVAPSA-N -1 0 630.410 5.473 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)ccc1Br ZINC000408897287 1070967766 /nfs/dbraw/zinc/96/77/66/1070967766.db2.gz ISXRQFDABBHVQX-IWIPYMOSSA-N -1 0 575.846 6.810 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408897327 1070968464 /nfs/dbraw/zinc/96/84/64/1070968464.db2.gz IWCGYABTXFCLDY-IMRQLAEWSA-N -1 0 541.003 6.527 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408897395 1070969156 /nfs/dbraw/zinc/96/91/56/1070969156.db2.gz JENUYNSYHRBXGC-ODLFYWEKSA-N -1 0 560.231 6.310 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408916983 1070996591 /nfs/dbraw/zinc/99/65/91/1070996591.db2.gz JZYMFCPIVXSNDK-IWIPYMOSSA-N -1 0 561.432 6.152 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408913551 1071017749 /nfs/dbraw/zinc/01/77/49/1071017749.db2.gz VLDOOPQJHLTBEB-GIJQJNRQSA-N -1 0 559.775 5.496 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408913050 1071019507 /nfs/dbraw/zinc/01/95/07/1071019507.db2.gz KDXZFAIBCOIBLT-DJKKODMXSA-N -1 0 651.226 5.447 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408913032 1071020677 /nfs/dbraw/zinc/02/06/77/1071020677.db2.gz JSYYHKZFWBFFBI-ZVHZXABRSA-N -1 0 545.364 5.987 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408910478 1071068173 /nfs/dbraw/zinc/06/81/73/1071068173.db2.gz KNEUACSHJCUJKE-HZHRSRAPSA-N -1 0 500.913 5.878 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408934102 1071200421 /nfs/dbraw/zinc/20/04/21/1071200421.db2.gz CLKCWBGHSFGOBX-KOEQRZSOSA-N -1 0 573.432 6.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408934145 1071201208 /nfs/dbraw/zinc/20/12/08/1071201208.db2.gz COTVJYVOOWNMMU-OGLMXYFKSA-N -1 0 597.067 6.790 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2)cc1 ZINC000408937223 1071203082 /nfs/dbraw/zinc/20/30/82/1071203082.db2.gz NIARYIGIAXMRRD-UNOMPAQXSA-N -1 0 564.925 5.101 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408937229 1071203101 /nfs/dbraw/zinc/20/31/01/1071203101.db2.gz IMXNRBHFAAJAHE-DJKKODMXSA-N -1 0 590.803 6.199 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408936005 1071216012 /nfs/dbraw/zinc/21/60/12/1071216012.db2.gz JMJDQTAFBPMQTK-RWPZCVJISA-N -1 0 631.512 7.443 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5Cl)cc4)C3=O)cc2Cl)c1 ZINC000408935995 1071216051 /nfs/dbraw/zinc/21/60/51/1071216051.db2.gz JLPNYFUJFVQYED-JVWAILMASA-N -1 0 601.486 7.435 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O ZINC000408935504 1071223506 /nfs/dbraw/zinc/22/35/06/1071223506.db2.gz HMTCASYKLFYMSQ-ODLFYWEKSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408935133 1071225412 /nfs/dbraw/zinc/22/54/12/1071225412.db2.gz GXAIMSAODMJYPF-JMIUGGIZSA-N -1 0 512.305 5.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408935182 1071226165 /nfs/dbraw/zinc/22/61/65/1071226165.db2.gz HESKDSGLCBNIIQ-WPWMEQJKSA-N -1 0 617.485 7.217 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408935028 1071227842 /nfs/dbraw/zinc/22/78/42/1071227842.db2.gz GAXZQXNPHVERIF-TWKHWXDSSA-N -1 0 653.112 6.815 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408934663 1071231032 /nfs/dbraw/zinc/23/10/32/1071231032.db2.gz FOTIFDWMXSJEEJ-CIAFOILYSA-N -1 0 627.391 5.152 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408947189 1071263758 /nfs/dbraw/zinc/26/37/58/1071263758.db2.gz ZUHMKOAXPIOGSP-BUVRLJJBSA-N -1 0 511.465 5.133 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000408946453 1071270457 /nfs/dbraw/zinc/27/04/57/1071270457.db2.gz AGVILBSDACTGTJ-UVHMKAGCSA-N -1 0 601.530 7.707 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408944980 1071282512 /nfs/dbraw/zinc/28/25/12/1071282512.db2.gz VQQMENLZIAKWBJ-GIJQJNRQSA-N -1 0 591.201 5.910 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000408942327 1071300929 /nfs/dbraw/zinc/30/09/29/1071300929.db2.gz ZDQYPEHNMPPHPV-WQRHYEAKSA-N -1 0 518.850 5.743 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408942151 1071301671 /nfs/dbraw/zinc/30/16/71/1071301671.db2.gz XVDKFILKUVBUBV-AFUMVMLFSA-N -1 0 621.448 6.966 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000408941591 1071307402 /nfs/dbraw/zinc/30/74/02/1071307402.db2.gz XGOKPNXSKGDWIF-PCLIKHOPSA-N -1 0 591.422 6.957 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408941648 1071307857 /nfs/dbraw/zinc/30/78/57/1071307857.db2.gz XNRSVLDRRIHZQK-OVVQPSECSA-N -1 0 603.052 5.662 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408940972 1071312226 /nfs/dbraw/zinc/31/22/26/1071312226.db2.gz WAZMYNPEUMLQLB-MFKUBSTISA-N -1 0 607.877 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc21 ZINC000408940119 1071318905 /nfs/dbraw/zinc/31/89/05/1071318905.db2.gz UIOIHLNAFZHRFC-OEAKJJBVSA-N -1 0 533.367 6.098 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408939968 1071319640 /nfs/dbraw/zinc/31/96/40/1071319640.db2.gz SXLJIAVLPAVDLV-ZVHZXABRSA-N -1 0 712.899 6.917 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408939425 1071323950 /nfs/dbraw/zinc/32/39/50/1071323950.db2.gz SLWGKCMFKRGPSY-QRQIAZFYSA-N -1 0 573.432 6.818 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408939454 1071324094 /nfs/dbraw/zinc/32/40/94/1071324094.db2.gz SQWAYUFHAVDNHT-WYMPLXKRSA-N -1 0 747.344 7.570 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408939437 1071324184 /nfs/dbraw/zinc/32/41/84/1071324184.db2.gz MPCLFDBRQAPZNW-VXLYETTFSA-N -1 0 678.233 5.216 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408938241 1071333214 /nfs/dbraw/zinc/33/32/14/1071333214.db2.gz POOVNPQDKABWMJ-MUFRIFMGSA-N -1 0 736.990 7.785 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408937728 1071336604 /nfs/dbraw/zinc/33/66/04/1071336604.db2.gz OICXJCWSCHJZTI-CVKSISIWSA-N -1 0 635.475 7.356 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408937847 1071337703 /nfs/dbraw/zinc/33/77/03/1071337703.db2.gz PKPOKOIKJXYKDQ-MFKUBSTISA-N -1 0 743.381 7.821 40 10 KKCBRM COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)c1 ZINC000408952681 1071344023 /nfs/dbraw/zinc/34/40/23/1071344023.db2.gz OSFLDSFPJPHTDZ-FJEPWZHXSA-N -1 0 591.708 6.323 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408952473 1071344608 /nfs/dbraw/zinc/34/46/08/1071344608.db2.gz NXTTVNXLUYXEBF-GIJQJNRQSA-N -1 0 555.768 5.077 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408952398 1071345844 /nfs/dbraw/zinc/34/58/44/1071345844.db2.gz NOZVGXQGBJEWEB-BRJLIKDPSA-N -1 0 604.446 6.375 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000408951620 1071349369 /nfs/dbraw/zinc/34/93/69/1071349369.db2.gz MBOLJLHTTJWOMO-RPPGKUMJSA-N -1 0 708.422 8.064 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)c(Br)c1O ZINC000408951896 1071348317 /nfs/dbraw/zinc/34/83/17/1071348317.db2.gz MVFOKPKWIAGKND-UFFVCSGVSA-N -1 0 644.360 6.450 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408951146 1071352989 /nfs/dbraw/zinc/35/29/89/1071352989.db2.gz LUACSFDHQLTIGU-ATZGPIRCSA-N -1 0 752.649 8.556 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408951115 1071353102 /nfs/dbraw/zinc/35/31/02/1071353102.db2.gz LIWAJGCFXHPTED-KKMKTNMSSA-N -1 0 724.479 8.868 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)cc1 ZINC000408949529 1071360298 /nfs/dbraw/zinc/36/02/98/1071360298.db2.gz IHMZCEPYOZAAJG-HNSNBQBZSA-N -1 0 575.753 7.571 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408949567 1071359894 /nfs/dbraw/zinc/35/98/94/1071359894.db2.gz IJCWHZPDEDJWIN-RQZCQDPDSA-N -1 0 590.213 5.730 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408950437 1071355797 /nfs/dbraw/zinc/35/57/97/1071355797.db2.gz KFJYZXHKRTZNEQ-QGMBQPNBSA-N -1 0 585.794 5.085 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408950284 1071356106 /nfs/dbraw/zinc/35/61/06/1071356106.db2.gz JCFXWYQATRCFOE-XODNFHPESA-N -1 0 659.552 7.310 40 10 KKCBRM COC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408949394 1071361033 /nfs/dbraw/zinc/36/10/33/1071361033.db2.gz HYRYDWUZXQZPJI-AUEPDCJTSA-N -1 0 623.500 5.144 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408948250 1071365867 /nfs/dbraw/zinc/36/58/67/1071365867.db2.gz FEARNCTYKJNUJW-IPPBACCNSA-N -1 0 654.163 6.809 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408948767 1071364148 /nfs/dbraw/zinc/36/41/48/1071364148.db2.gz GMQCQLWXJJMAJD-DJKKODMXSA-N -1 0 555.370 5.366 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408947609 1071370203 /nfs/dbraw/zinc/37/02/03/1071370203.db2.gz CRRHFQLSLCZFIT-SSDVNMTOSA-N -1 0 582.438 5.434 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1O ZINC000408956892 1071373955 /nfs/dbraw/zinc/37/39/55/1071373955.db2.gz ZERUIEZXXPMPNG-ZVBGSRNCSA-N -1 0 551.437 5.298 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 ZINC000408956742 1071375069 /nfs/dbraw/zinc/37/50/69/1071375069.db2.gz YGTJMDDUWXCKNR-JFLMPSFJSA-N -1 0 617.487 6.216 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408956473 1071378258 /nfs/dbraw/zinc/37/82/58/1071378258.db2.gz XENFOHBSKLTVBJ-IPPBACCNSA-N -1 0 747.586 7.311 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408695561 1071383709 /nfs/dbraw/zinc/38/37/09/1071383709.db2.gz WFUSLNZZVQBRDI-HZHRSRAPSA-N -1 0 519.395 5.586 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408694552 1071387100 /nfs/dbraw/zinc/38/71/00/1071387100.db2.gz JQRJIFKQLXFIEE-YBFXNURJSA-N -1 0 547.833 5.485 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408692940 1071392574 /nfs/dbraw/zinc/39/25/74/1071392574.db2.gz YWYHMAJLXGJOCY-CAOOACKPSA-N -1 0 523.800 5.639 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408692801 1071393122 /nfs/dbraw/zinc/39/31/22/1071393122.db2.gz VSVCNRWGDDZJBY-OEAKJJBVSA-N -1 0 518.997 5.875 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408953858 1071393673 /nfs/dbraw/zinc/39/36/73/1071393673.db2.gz QDUGFICDNDRVIA-NSKAYECMSA-N -1 0 759.322 9.232 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408954035 1071393790 /nfs/dbraw/zinc/39/37/90/1071393790.db2.gz QZOUBQRICSPPFU-UFFVCSGVSA-N -1 0 521.411 5.289 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000408954543 1071389900 /nfs/dbraw/zinc/38/99/00/1071389900.db2.gz RHIMBEWDGKNCSQ-SSDVNMTOSA-N -1 0 505.958 5.382 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408692337 1071394689 /nfs/dbraw/zinc/39/46/89/1071394689.db2.gz KDNFGPJFWYNKQJ-XKZIYDEJSA-N -1 0 549.421 5.594 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408692317 1071394968 /nfs/dbraw/zinc/39/49/68/1071394968.db2.gz JQSCSQGNOUSPJU-LICLKQGHSA-N -1 0 533.806 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408953256 1071397025 /nfs/dbraw/zinc/39/70/25/1071397025.db2.gz PKFDRKJVCJNBFB-REZTVBANSA-N -1 0 726.115 5.790 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408964057 1071419986 /nfs/dbraw/zinc/41/99/86/1071419986.db2.gz BIGVJYXKKQHTKR-ZROIWOOFSA-N -1 0 550.749 5.241 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(OCCSc4ccc(Cl)cc4)c3)SC2=S)c1 ZINC000408972388 1071449803 /nfs/dbraw/zinc/44/98/03/1071449803.db2.gz SNEAUGSDAWRNFZ-HMAPJEAMSA-N -1 0 528.076 6.615 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408987123 1071482363 /nfs/dbraw/zinc/48/23/63/1071482363.db2.gz DNUZFFYGGFUSPP-BUVRLJJBSA-N -1 0 530.646 5.429 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000408987089 1071482445 /nfs/dbraw/zinc/48/24/45/1071482445.db2.gz AGIWTSTXFAOKNF-KGENOOAVSA-N -1 0 657.154 6.634 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408986999 1071483731 /nfs/dbraw/zinc/48/37/31/1071483731.db2.gz NZROTBVTTAYBNY-HMAPJEAMSA-N -1 0 535.394 5.266 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1Cl ZINC000408986424 1071490134 /nfs/dbraw/zinc/49/01/34/1071490134.db2.gz CGJBGWCJCKFZIV-JAIQZWGSSA-N -1 0 543.776 5.795 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408986154 1071493925 /nfs/dbraw/zinc/49/39/25/1071493925.db2.gz ZTUUITPNOTVNII-BKUYFWCQSA-N -1 0 522.960 5.686 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1 ZINC000408985689 1071497612 /nfs/dbraw/zinc/49/76/12/1071497612.db2.gz XRNRGEFCWPJPTD-BKUYFWCQSA-N -1 0 631.264 5.862 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(OC)c3)C2=O)cc1 ZINC000408985680 1071497673 /nfs/dbraw/zinc/49/76/73/1071497673.db2.gz XOOIHBSXKFYNPO-MYYYXRDXSA-N -1 0 585.454 6.419 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1Cl ZINC000408985711 1071498502 /nfs/dbraw/zinc/49/85/02/1071498502.db2.gz XXZPZFIDKAVGCX-JJFYIABZSA-N -1 0 654.742 7.572 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408985212 1071501739 /nfs/dbraw/zinc/50/17/39/1071501739.db2.gz AFYHEBKHWPHAPB-ZVHZXABRSA-N -1 0 546.645 5.130 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408985056 1071502391 /nfs/dbraw/zinc/50/23/91/1071502391.db2.gz UTFZTQZQGGQCTP-MYYYXRDXSA-N -1 0 541.003 6.310 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(I)c3)C2=O)cc1 ZINC000408984897 1071503993 /nfs/dbraw/zinc/50/39/93/1071503993.db2.gz UESYSRVPEFADQQ-MOSHPQCFSA-N -1 0 586.813 5.752 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408984546 1071508679 /nfs/dbraw/zinc/50/86/79/1071508679.db2.gz IWIPLZXSSNGLCO-JAIQZWGSSA-N -1 0 602.254 6.159 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1Cl ZINC000408984823 1071506266 /nfs/dbraw/zinc/50/62/66/1071506266.db2.gz SUSVSKOFUSVODA-LSCVHKIXSA-N -1 0 560.777 6.109 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408984632 1071507164 /nfs/dbraw/zinc/50/71/64/1071507164.db2.gz SGPVLYNIOVLQJN-XKZIYDEJSA-N -1 0 594.418 5.564 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408984725 1071508199 /nfs/dbraw/zinc/50/81/99/1071508199.db2.gz JPDJFOOPLHYSLO-FRKPEAEDSA-N -1 0 678.779 5.537 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408984451 1071508223 /nfs/dbraw/zinc/50/82/23/1071508223.db2.gz RGFXMMYQSLQNAH-IDUWFGFVSA-N -1 0 580.251 6.863 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(I)c3)C2=O)cc1 ZINC000408984376 1071509580 /nfs/dbraw/zinc/50/95/80/1071509580.db2.gz QGJNPEKMPIDLOX-MOSHPQCFSA-N -1 0 570.358 5.238 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408984396 1071510394 /nfs/dbraw/zinc/51/03/94/1071510394.db2.gz QKSGEEMFQABSNJ-XKZIYDEJSA-N -1 0 567.411 5.795 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1 ZINC000408983914 1071513242 /nfs/dbraw/zinc/51/32/42/1071513242.db2.gz OGJONIUXVRTAPW-BKUYFWCQSA-N -1 0 678.264 5.704 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(OC)c3)C2=O)cc1 ZINC000408983945 1071513849 /nfs/dbraw/zinc/51/38/49/1071513849.db2.gz OSUJMGQSTIYGSI-MTJSOVHGSA-N -1 0 616.839 5.761 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408983978 1071513953 /nfs/dbraw/zinc/51/39/53/1071513953.db2.gz OZPUFPBRYPLQMQ-NHDPSOOVSA-N -1 0 583.866 6.363 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(=O)[O-])cc4C)C3=O)o2)cc1 ZINC000408983769 1071515226 /nfs/dbraw/zinc/51/52/26/1071515226.db2.gz CKXWGIGVBZGMBW-JJIBRWJFSA-N -1 0 505.526 6.211 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408983457 1071516495 /nfs/dbraw/zinc/51/64/95/1071516495.db2.gz MGDQSRDOQNXNQG-LSCVHKIXSA-N -1 0 594.278 7.253 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408983326 1071518421 /nfs/dbraw/zinc/51/84/21/1071518421.db2.gz LJNXSMFKUSQWPN-ODLFYWEKSA-N -1 0 529.807 6.455 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408983154 1071519575 /nfs/dbraw/zinc/51/95/75/1071519575.db2.gz LAFWWHNMVDYXNY-LSCVHKIXSA-N -1 0 550.225 6.854 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408982480 1071526016 /nfs/dbraw/zinc/52/60/16/1071526016.db2.gz HHTVCEAWUXTBNH-JMIUGGIZSA-N -1 0 604.284 6.708 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408982981 1071521134 /nfs/dbraw/zinc/52/11/34/1071521134.db2.gz JIPKIVKXXXTUAY-JAIQZWGSSA-N -1 0 584.810 5.819 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408982922 1071522597 /nfs/dbraw/zinc/52/25/97/1071522597.db2.gz IWKXXDGMADURIU-MTJSOVHGSA-N -1 0 553.384 5.405 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722830 1071531004 /nfs/dbraw/zinc/53/10/04/1071531004.db2.gz NQQPRWHBFRSYPQ-VXLYETTFSA-N -1 0 592.298 6.175 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408981940 1071531468 /nfs/dbraw/zinc/53/14/68/1071531468.db2.gz FCXRIIZCDOCOGW-ODLFYWEKSA-N -1 0 574.258 6.564 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(OC)c3)C2=O)cc1 ZINC000408981921 1071531609 /nfs/dbraw/zinc/53/16/09/1071531609.db2.gz DTFCTGPYLLIRLC-HMAPJEAMSA-N -1 0 582.394 5.108 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408981342 1071536365 /nfs/dbraw/zinc/53/63/65/1071536365.db2.gz AUZBVDVMQDGXFS-GRSHGNNSSA-N -1 0 602.812 5.507 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722582 1071532704 /nfs/dbraw/zinc/53/27/04/1071532704.db2.gz LFOPKQFFWJQNEB-DJKKODMXSA-N -1 0 640.770 7.218 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722257 1071533971 /nfs/dbraw/zinc/53/39/71/1071533971.db2.gz FXAGDXQFXIVWJA-LZYBPNLTSA-N -1 0 673.743 6.670 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722114 1071534959 /nfs/dbraw/zinc/53/49/59/1071534959.db2.gz DZIQQGQPOKLUKV-CNHKJKLMSA-N -1 0 626.743 6.828 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408981339 1071536210 /nfs/dbraw/zinc/53/62/10/1071536210.db2.gz AKXJKBJVIKEJSJ-JAIQZWGSSA-N -1 0 557.803 6.049 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408981670 1071531519 /nfs/dbraw/zinc/53/15/19/1071531519.db2.gz CHBQDAAVIVQKCD-OCKHKDLRSA-N -1 0 681.708 6.270 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408981929 1071531547 /nfs/dbraw/zinc/53/15/47/1071531547.db2.gz DYFGKHFUSAMUPD-JAIQZWGSSA-N -1 0 557.803 6.049 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408994360 1071559836 /nfs/dbraw/zinc/55/98/36/1071559836.db2.gz YWVNPDIWLMXICW-MFKUBSTISA-N -1 0 528.674 6.038 40 10 KKCBRM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408992598 1071572120 /nfs/dbraw/zinc/57/21/20/1071572120.db2.gz SOSVDBPPOASENL-PXLXIMEGSA-N -1 0 637.724 6.439 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408992415 1071572695 /nfs/dbraw/zinc/57/26/95/1071572695.db2.gz RRPMYTLPNBXDSH-LICLKQGHSA-N -1 0 577.625 5.404 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1Cl ZINC000408991199 1071582504 /nfs/dbraw/zinc/58/25/04/1071582504.db2.gz POUSJQKNBJGPCK-OYKKKHCWSA-N -1 0 575.846 6.810 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408991171 1071582600 /nfs/dbraw/zinc/58/26/00/1071582600.db2.gz NCNQWWSCQGCABD-OEAKJJBVSA-N -1 0 700.223 7.710 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408989989 1071592093 /nfs/dbraw/zinc/59/20/93/1071592093.db2.gz VXIJCXBIBIPEJQ-JAIQZWGSSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408990288 1071589749 /nfs/dbraw/zinc/58/97/49/1071589749.db2.gz KHQHPTZJNXFURR-BUVRLJJBSA-N -1 0 665.778 7.056 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C2=O)cc1C ZINC000408989771 1071594713 /nfs/dbraw/zinc/59/47/13/1071594713.db2.gz IVVZODVOGREFOV-GZTJUZNOSA-N -1 0 520.548 5.232 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408989796 1071595279 /nfs/dbraw/zinc/59/52/79/1071595279.db2.gz IXQKRGRCSCSNIT-OEAKJJBVSA-N -1 0 691.772 6.604 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4ccccc4c3)C2=O)cc1Cl ZINC000408989547 1071597111 /nfs/dbraw/zinc/59/71/11/1071597111.db2.gz LEWQONQTSPEIAI-OYKKKHCWSA-N -1 0 575.846 6.810 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408739401 1071603737 /nfs/dbraw/zinc/60/37/37/1071603737.db2.gz BMESXTGVAVCAFX-UDWIEESQSA-N -1 0 600.263 5.856 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C2=O)c1 ZINC000408739747 1071600937 /nfs/dbraw/zinc/60/09/37/1071600937.db2.gz FFLWYOMTNXTVOK-ANYBSYGZSA-N -1 0 523.592 6.786 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408988896 1071600951 /nfs/dbraw/zinc/60/09/51/1071600951.db2.gz RZSUTZFZIKDKHP-UDWIEESQSA-N -1 0 569.839 5.919 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408988890 1071601032 /nfs/dbraw/zinc/60/10/32/1071601032.db2.gz RYDVUXFFNJSQPH-DJKKODMXSA-N -1 0 637.257 6.160 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)o2)c(Br)c1 ZINC000408739889 1071602124 /nfs/dbraw/zinc/60/21/24/1071602124.db2.gz BLQVQOGUUCWTRO-BOPFTXTBSA-N -1 0 560.267 5.920 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408739595 1071603310 /nfs/dbraw/zinc/60/33/10/1071603310.db2.gz CVDWYSCXSFFHBI-FYJGNVAPSA-N -1 0 535.394 5.402 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=S)N(c6ccc(C)cc6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408987604 1071611980 /nfs/dbraw/zinc/61/19/80/1071611980.db2.gz BKCQTVRPFFQUBC-BUVRLJJBSA-N -1 0 665.778 7.056 40 10 KKCBRM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408987453 1071613427 /nfs/dbraw/zinc/61/34/27/1071613427.db2.gz BBDDGRABNYPVHF-HYARGMPZSA-N -1 0 663.718 5.988 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997070 1071615369 /nfs/dbraw/zinc/61/53/69/1071615369.db2.gz QPPLKIKKXYLRGP-NTEUORMPSA-N -1 0 689.184 7.076 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000408743682 1071617956 /nfs/dbraw/zinc/61/79/56/1071617956.db2.gz XAJWIQZONZRGMJ-VEILYXNESA-N -1 0 638.974 8.059 40 10 KKCBRM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)o2)cc1 ZINC000408743362 1071618399 /nfs/dbraw/zinc/61/83/99/1071618399.db2.gz VWZYWHVTUSFEIE-CPNJWEJPSA-N -1 0 539.407 5.026 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)[N-]C1=S ZINC000408743212 1071618945 /nfs/dbraw/zinc/61/89/45/1071618945.db2.gz VKPNZPVLALEEQZ-XDHOZWIPSA-N -1 0 586.305 5.930 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408742555 1071620571 /nfs/dbraw/zinc/62/05/71/1071620571.db2.gz RPYVFJVOOKCJFT-QQXSKIMKSA-N -1 0 556.485 6.355 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)[N-]C1=S ZINC000408742444 1071621153 /nfs/dbraw/zinc/62/11/53/1071621153.db2.gz QYZIPQHPVSCAMS-YBFXNURJSA-N -1 0 665.201 6.693 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(OC)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408742202 1071622196 /nfs/dbraw/zinc/62/21/96/1071622196.db2.gz NWLKLCXKNPGREV-YQYKVWLJSA-N -1 0 583.644 6.885 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408742197 1071622266 /nfs/dbraw/zinc/62/22/66/1071622266.db2.gz NUVWWSZYJMZCTI-MWAVMZGNSA-N -1 0 604.131 7.695 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408740779 1071628349 /nfs/dbraw/zinc/62/83/49/1071628349.db2.gz IBEHYHJSOZFJRP-UDWIEESQSA-N -1 0 616.331 5.939 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408741896 1071623453 /nfs/dbraw/zinc/62/34/53/1071623453.db2.gz LXHPUZLPSUSHGL-JBASAIQMSA-N -1 0 553.618 6.876 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)c2-c2ccccc2)cc1 ZINC000408740935 1071627849 /nfs/dbraw/zinc/62/78/49/1071627849.db2.gz FEZJGEZKOJIMTI-VAMRJTSQSA-N -1 0 581.672 7.493 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741462 1071625648 /nfs/dbraw/zinc/62/56/48/1071625648.db2.gz JBVAFZKMCDKLRU-OYKKKHCWSA-N -1 0 607.475 7.127 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1C1CCCCC1 ZINC000408740626 1071629114 /nfs/dbraw/zinc/62/91/14/1071629114.db2.gz HORCBMGPGIRZRW-DEDYPNTBSA-N -1 0 500.462 5.512 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408740336 1071630210 /nfs/dbraw/zinc/63/02/10/1071630210.db2.gz FPHOMXPQTYJSOQ-ODLFYWEKSA-N -1 0 571.880 5.830 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408757223 1071633737 /nfs/dbraw/zinc/63/37/37/1071633737.db2.gz WIRDFBWSWFJDJR-FYJGNVAPSA-N -1 0 553.384 5.541 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408740233 1071631390 /nfs/dbraw/zinc/63/13/90/1071631390.db2.gz FBJZOCQHWPWCLQ-FSJBWODESA-N -1 0 699.364 6.626 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C2=O)cc1 ZINC000408740231 1071631458 /nfs/dbraw/zinc/63/14/58/1071631458.db2.gz JKVYODLIHNBKTG-OFWBYEQRSA-N -1 0 632.514 7.639 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408740297 1071631482 /nfs/dbraw/zinc/63/14/82/1071631482.db2.gz FJXLTTDSOXDZGS-YBFXNURJSA-N -1 0 616.331 5.939 40 10 KKCBRM CCCCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000409003822 1071635656 /nfs/dbraw/zinc/63/56/56/1071635656.db2.gz VGFKGKQJQLFVJF-XSFVSMFZSA-N -1 0 541.492 6.367 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Cl)cc1 ZINC000408756565 1071637181 /nfs/dbraw/zinc/63/71/81/1071637181.db2.gz ZWZKKYWROXEMNY-VXLYETTFSA-N -1 0 574.258 6.618 40 10 KKCBRM Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408755993 1071640437 /nfs/dbraw/zinc/64/04/37/1071640437.db2.gz GUIHBMPVUXFCCO-UDWIEESQSA-N -1 0 521.415 5.152 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)c1 ZINC000408755414 1071644540 /nfs/dbraw/zinc/64/45/40/1071644540.db2.gz NMZFEEJEAWMEMQ-VXLYETTFSA-N -1 0 618.709 6.727 40 10 KKCBRM CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409001566 1071644543 /nfs/dbraw/zinc/64/45/43/1071644543.db2.gz JCYBTNDHVKXPIS-MWDFCAMCSA-N -1 0 712.326 7.091 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)C1=O ZINC000409000179 1071651522 /nfs/dbraw/zinc/65/15/22/1071651522.db2.gz XKHLXBXJKAMODQ-MHWRWJLKSA-N -1 0 562.239 5.931 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Br)c3)C2=O)ccc1Br ZINC000408753399 1071658640 /nfs/dbraw/zinc/65/86/40/1071658640.db2.gz MKJWJSDFPNHTGR-VCHYOVAHSA-N -1 0 604.682 6.419 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408753292 1071659747 /nfs/dbraw/zinc/65/97/47/1071659747.db2.gz GDUPBBPHPNWNTD-YBFXNURJSA-N -1 0 600.263 5.774 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000408752632 1071663259 /nfs/dbraw/zinc/66/32/59/1071663259.db2.gz IVOOWKJBBULSQZ-FYJGNVAPSA-N -1 0 506.400 5.448 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)cc3)C2=O)cc1C ZINC000408997425 1071664847 /nfs/dbraw/zinc/66/48/47/1071664847.db2.gz ONNPQYTXQKTPSN-OEAKJJBVSA-N -1 0 552.368 5.153 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408751784 1071668994 /nfs/dbraw/zinc/66/89/94/1071668994.db2.gz CGIWMQMJQFDMRW-VCHYOVAHSA-N -1 0 590.257 6.318 40 10 KKCBRM CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409011782 1071686139 /nfs/dbraw/zinc/68/61/39/1071686139.db2.gz INEIICHDYUCBQH-HYARGMPZSA-N -1 0 507.999 5.009 40 10 KKCBRM CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012309 1071685039 /nfs/dbraw/zinc/68/50/39/1071685039.db2.gz QIEBRCVZQHIQCX-LPYMAVHISA-N -1 0 522.026 5.318 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408760249 1071697892 /nfs/dbraw/zinc/69/78/92/1071697892.db2.gz VLJPCOLDGFQDDX-RGVLZGJSSA-N -1 0 648.735 6.818 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408760501 1071696225 /nfs/dbraw/zinc/69/62/25/1071696225.db2.gz ZSTCBDSDQVFBNM-NDENLUEZSA-N -1 0 557.242 5.594 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408760541 1071696417 /nfs/dbraw/zinc/69/64/17/1071696417.db2.gz ALEZSFQPFGXHPX-RGVLZGJSSA-N -1 0 614.290 6.082 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408760618 1071696840 /nfs/dbraw/zinc/69/68/40/1071696840.db2.gz BTMGOGRCZZKXJE-VXLYETTFSA-N -1 0 658.299 5.893 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408760368 1071696928 /nfs/dbraw/zinc/69/69/28/1071696928.db2.gz XLYJIVVUCJVLOX-QGMBQPNBSA-N -1 0 669.153 7.081 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)ccc1Br ZINC000408760208 1071697391 /nfs/dbraw/zinc/69/73/91/1071697391.db2.gz UONNQXLBAOQYNX-VGOFMYFVSA-N -1 0 565.163 5.899 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408758948 1071703612 /nfs/dbraw/zinc/70/36/12/1071703612.db2.gz VIAFYOIYRJNKMF-RGVLZGJSSA-N -1 0 537.370 5.048 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408759609 1071699903 /nfs/dbraw/zinc/69/99/03/1071699903.db2.gz HZDXKBUDYNPBHX-ATLLOTDBSA-N -1 0 534.987 6.995 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408759583 1071701103 /nfs/dbraw/zinc/70/11/03/1071701103.db2.gz HLDGIEIVWKQCTH-JVWAILMASA-N -1 0 602.460 6.550 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)ccc1Br ZINC000408758595 1071704116 /nfs/dbraw/zinc/70/41/16/1071704116.db2.gz NLAWJFPJHYEVLU-REZTVBANSA-N -1 0 673.572 7.726 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)c1 ZINC000408758275 1071707244 /nfs/dbraw/zinc/70/72/44/1071707244.db2.gz ICMNBSTUXDXLNB-VXLYETTFSA-N -1 0 663.160 6.836 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408766371 1071714519 /nfs/dbraw/zinc/71/45/19/1071714519.db2.gz CRIIPVRHSWDGEG-KEBDBYFISA-N -1 0 665.311 6.859 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408766981 1071716730 /nfs/dbraw/zinc/71/67/30/1071716730.db2.gz UPEBFRYYBAZETO-DJKKODMXSA-N -1 0 658.299 5.893 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)c1 ZINC000408766802 1071717240 /nfs/dbraw/zinc/71/72/40/1071717240.db2.gz GSHKVDASGCKWLW-ZMOGYAJESA-N -1 0 545.422 7.009 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408766750 1071719072 /nfs/dbraw/zinc/71/90/72/1071719072.db2.gz FYHMMFOPACXRHF-MUFRIFMGSA-N -1 0 535.713 6.393 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408765067 1071725547 /nfs/dbraw/zinc/72/55/47/1071725547.db2.gz WEXLKBWEHHSHGA-MYYYXRDXSA-N -1 0 569.599 5.030 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408762519 1071735951 /nfs/dbraw/zinc/73/59/51/1071735951.db2.gz BYGZXACXWFJPQX-FYJGNVAPSA-N -1 0 584.264 6.074 40 10 KKCBRM O=C(Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408762065 1071738145 /nfs/dbraw/zinc/73/81/45/1071738145.db2.gz IWZWNYIWTBMCSZ-UYRXBGFRSA-N -1 0 533.371 5.253 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Br)c(Cl)c4)o3)C2=O)ccc1Br ZINC000408762104 1071736759 /nfs/dbraw/zinc/73/67/59/1071736759.db2.gz JCRNYFNKLRJRMY-XNTDXEJSSA-N -1 0 564.617 6.100 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)ccc1Br ZINC000408762143 1071737160 /nfs/dbraw/zinc/73/71/60/1071737160.db2.gz NFWVRWHEGPKTRT-WGOQTCKBSA-N -1 0 564.439 6.580 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408763020 1071733683 /nfs/dbraw/zinc/73/36/83/1071733683.db2.gz DHRBKKVQERUPDB-VXLYETTFSA-N -1 0 573.802 5.804 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)c1 ZINC000408770673 1071741648 /nfs/dbraw/zinc/74/16/48/1071741648.db2.gz AECNFSYMDKGLGR-KEBDBYFISA-N -1 0 710.160 6.678 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408776944 1071747608 /nfs/dbraw/zinc/74/76/08/1071747608.db2.gz SXBQIXDADMXKIW-BUVRLJJBSA-N -1 0 597.609 5.843 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c1C)CCCC2 ZINC000408775992 1071751467 /nfs/dbraw/zinc/75/14/67/1071751467.db2.gz LWSAQDLTRKEUSZ-KGENOOAVSA-N -1 0 547.702 5.269 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409035480 1071751109 /nfs/dbraw/zinc/75/11/09/1071751109.db2.gz JXVMXKPAHQPSJJ-VIZOYTHASA-N -1 0 566.866 6.127 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408775647 1071754578 /nfs/dbraw/zinc/75/45/78/1071754578.db2.gz JNIMSNBHKIFXRZ-OGLMXYFKSA-N -1 0 523.564 5.787 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408775097 1071756974 /nfs/dbraw/zinc/75/69/74/1071756974.db2.gz OAZUHTBWDJQDMF-GIJQJNRQSA-N -1 0 611.361 5.350 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408774835 1071758500 /nfs/dbraw/zinc/75/85/00/1071758500.db2.gz YEXIJRWJXWIGEG-KEBDBYFISA-N -1 0 573.860 6.908 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408774756 1071759587 /nfs/dbraw/zinc/75/95/87/1071759587.db2.gz XHAGFWBXUSAAQU-CXUHLZMHSA-N -1 0 655.126 6.772 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408774751 1071759635 /nfs/dbraw/zinc/75/96/35/1071759635.db2.gz QPMPZTLEZDOYIU-VXLYETTFSA-N -1 0 580.649 6.655 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)sc2=N1 ZINC000409033688 1071767942 /nfs/dbraw/zinc/76/79/42/1071767942.db2.gz OTRNOIYWYBSUDN-KEPJHFNWSA-N -1 0 634.154 5.346 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C2=O)cc1 ZINC000408773905 1071765857 /nfs/dbraw/zinc/76/58/57/1071765857.db2.gz MXYPLZILLDFEMJ-KBVAKVRCSA-N -1 0 563.698 6.627 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408772929 1071770469 /nfs/dbraw/zinc/77/04/69/1071770469.db2.gz NISJXLVTLRSMKW-HZHRSRAPSA-N -1 0 534.454 6.129 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408772906 1071770489 /nfs/dbraw/zinc/77/04/89/1071770489.db2.gz NFCWWVCFEYFUIE-LZYBPNLTSA-N -1 0 566.275 6.379 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2I)cc1 ZINC000408773031 1071771145 /nfs/dbraw/zinc/77/11/45/1071771145.db2.gz OVXQAROPICZYGK-RGVLZGJSSA-N -1 0 678.264 5.758 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000408773002 1071771298 /nfs/dbraw/zinc/77/12/98/1071771298.db2.gz OVPFLYVJCKYISF-CPNJWEJPSA-N -1 0 542.444 5.409 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408772478 1071772941 /nfs/dbraw/zinc/77/29/41/1071772941.db2.gz PORAOTIVLDAFHV-UDWIEESQSA-N -1 0 550.995 5.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408772237 1071775119 /nfs/dbraw/zinc/77/51/19/1071775119.db2.gz FMHLMNFFHBTUOW-WSDLNYQXSA-N -1 0 567.411 5.849 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408771921 1071777328 /nfs/dbraw/zinc/77/73/28/1071777328.db2.gz KCHOBIWZSDQYFZ-MKMNVTDBSA-N -1 0 724.804 5.246 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000408771782 1071778301 /nfs/dbraw/zinc/77/83/01/1071778301.db2.gz IVFNKPQVNGWKAI-LFVJCYFKSA-N -1 0 548.089 5.927 40 10 KKCBRM O=C(OC1=C([O-])N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279892 1071778312 /nfs/dbraw/zinc/77/83/12/1071778312.db2.gz ADHXSHQRULQVPF-NMJJKKRCSA-N -1 0 519.513 5.426 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Br ZINC000408771191 1071782211 /nfs/dbraw/zinc/78/22/11/1071782211.db2.gz FYBMMTLRAPAJKV-KPKJPENVSA-N -1 0 517.685 5.186 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408769418 1071792877 /nfs/dbraw/zinc/79/28/77/1071792877.db2.gz UHGGYNRPQHYNPT-OGLMXYFKSA-N -1 0 614.565 6.884 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408769243 1071793892 /nfs/dbraw/zinc/79/38/92/1071793892.db2.gz PQRCQZPNWWYJRX-CXUHLZMHSA-N -1 0 610.726 6.488 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408769159 1071794934 /nfs/dbraw/zinc/79/49/34/1071794934.db2.gz PFWGWMRMZGMLOS-STBIYBPSSA-N -1 0 614.565 6.884 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1 ZINC000408769124 1071794956 /nfs/dbraw/zinc/79/49/56/1071794956.db2.gz OKEFJFMZVCVLDD-YDZHTSKRSA-N -1 0 714.297 6.603 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408768901 1071797730 /nfs/dbraw/zinc/79/77/30/1071797730.db2.gz LKCIULIFCYTLRC-VXLYETTFSA-N -1 0 633.782 5.107 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000408768555 1071799279 /nfs/dbraw/zinc/79/92/79/1071799279.db2.gz YEDVZBSKABZFBU-YBFXNURJSA-N -1 0 637.655 5.953 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408767627 1071809098 /nfs/dbraw/zinc/80/90/98/1071809098.db2.gz ZCQFEDQOKIROMY-GIJQJNRQSA-N -1 0 730.180 7.313 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(I)c3)C2=O)cc1 ZINC000408782397 1071810455 /nfs/dbraw/zinc/81/04/55/1071810455.db2.gz IDOBAKSUHVXVFS-VCHYOVAHSA-N -1 0 651.682 6.261 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408782503 1071811242 /nfs/dbraw/zinc/81/12/42/1071811242.db2.gz JHRPIAHEKXGUKX-RGVLZGJSSA-N -1 0 525.388 5.864 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408781840 1071814443 /nfs/dbraw/zinc/81/44/43/1071814443.db2.gz FKTRJGSXANXRHO-OVCLIPMQSA-N -1 0 684.754 7.071 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408781655 1071814985 /nfs/dbraw/zinc/81/49/85/1071814985.db2.gz DWRORWWEIVZZCZ-AFUMVMLFSA-N -1 0 655.401 7.574 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408780942 1071820524 /nfs/dbraw/zinc/82/05/24/1071820524.db2.gz NYYUCXXJLBFKLI-CAOOACKPSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408780575 1071823736 /nfs/dbraw/zinc/82/37/36/1071823736.db2.gz FJPVZQANNCZKAT-PXLXIMEGSA-N -1 0 532.452 6.591 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c1C)CCCC2 ZINC000408779586 1071829348 /nfs/dbraw/zinc/82/93/48/1071829348.db2.gz GEBUWQAAWVVYKX-DEDYPNTBSA-N -1 0 582.476 5.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409047027 1071827416 /nfs/dbraw/zinc/82/74/16/1071827416.db2.gz MBAZHOIVIVHHJS-VXLYETTFSA-N -1 0 619.197 5.504 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409046807 1071828021 /nfs/dbraw/zinc/82/80/21/1071828021.db2.gz MLIOWDURYKRCMD-RGVLZGJSSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409046793 1071828068 /nfs/dbraw/zinc/82/80/68/1071828068.db2.gz MEVUVYAPIFNMMF-SRZZPIQSSA-N -1 0 673.891 5.644 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409045577 1071824955 /nfs/dbraw/zinc/82/49/55/1071824955.db2.gz ZJVRIKMIDZDJAX-VXLYETTFSA-N -1 0 562.203 5.707 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408780196 1071825263 /nfs/dbraw/zinc/82/52/63/1071825263.db2.gz VCUFZXOVQSEUFN-OKCVXOCRSA-N -1 0 533.672 6.537 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409046753 1071830207 /nfs/dbraw/zinc/83/02/07/1071830207.db2.gz LXFCLZKHGMFBOR-VXLYETTFSA-N -1 0 530.295 5.286 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409046769 1071830823 /nfs/dbraw/zinc/83/08/23/1071830823.db2.gz LYXVBRYSHVIPDQ-RQZCQDPDSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408779020 1071832032 /nfs/dbraw/zinc/83/20/32/1071832032.db2.gz OYPURANKDBRICL-XSFVSMFZSA-N -1 0 586.953 7.225 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409046175 1071835943 /nfs/dbraw/zinc/83/59/43/1071835943.db2.gz JAGKSWVNWZGKCI-DJKKODMXSA-N -1 0 619.197 5.504 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408778999 1071833967 /nfs/dbraw/zinc/83/39/67/1071833967.db2.gz OPDOIAWYQGTNAX-UFFVCSGVSA-N -1 0 665.311 6.859 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408778824 1071834667 /nfs/dbraw/zinc/83/46/67/1071834667.db2.gz LYJZNGKOTPOEQC-CIAFOILYSA-N -1 0 661.290 6.006 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409046090 1071835225 /nfs/dbraw/zinc/83/52/25/1071835225.db2.gz IMUHJBQTJNIXSF-GIJQJNRQSA-N -1 0 517.752 5.598 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409046075 1071835413 /nfs/dbraw/zinc/83/54/13/1071835413.db2.gz IORIMJOJJSHTTB-RGVLZGJSSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)c1 ZINC000408777966 1071840620 /nfs/dbraw/zinc/84/06/20/1071840620.db2.gz NFGDWMRDBOTHDP-LICLKQGHSA-N -1 0 545.857 6.034 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408777620 1071842046 /nfs/dbraw/zinc/84/20/46/1071842046.db2.gz DMPWHJSJMSVZIT-ZMOGYAJESA-N -1 0 618.027 6.188 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409045719 1071839460 /nfs/dbraw/zinc/83/94/60/1071839460.db2.gz HGORSAUGGIGWPN-FRKPEAEDSA-N -1 0 659.545 7.417 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408777500 1071843540 /nfs/dbraw/zinc/84/35/40/1071843540.db2.gz ATHYYWFOCANUEG-GIJQJNRQSA-N -1 0 580.649 6.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409045163 1071844021 /nfs/dbraw/zinc/84/40/21/1071844021.db2.gz FMRCZKBPRORLDB-QGMBQPNBSA-N -1 0 591.201 5.910 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408787042 1071847135 /nfs/dbraw/zinc/84/71/35/1071847135.db2.gz PVAIPPWYKBTDPT-VCHYOVAHSA-N -1 0 623.809 6.765 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408786888 1071847560 /nfs/dbraw/zinc/84/75/60/1071847560.db2.gz OZBIXADUONITRJ-OGLMXYFKSA-N -1 0 584.470 6.410 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408786830 1071847615 /nfs/dbraw/zinc/84/76/15/1071847615.db2.gz WHNHKJYNRCVHHL-MKMNVTDBSA-N -1 0 732.749 6.247 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409044526 1071848899 /nfs/dbraw/zinc/84/88/99/1071848899.db2.gz GVEJFOJEQIYQGG-KEBDBYFISA-N -1 0 615.234 5.674 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4ccccc4c3)C2=O)c1 ZINC000408786653 1071848162 /nfs/dbraw/zinc/84/81/62/1071848162.db2.gz LQDKMUZLMZSBHE-WGOQTCKBSA-N -1 0 555.428 6.465 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408786331 1071850301 /nfs/dbraw/zinc/85/03/01/1071850301.db2.gz POSJJUBCWQZMBN-MKMNVTDBSA-N -1 0 685.749 6.405 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409044227 1071851203 /nfs/dbraw/zinc/85/12/03/1071851203.db2.gz UPRLVUQIPXXLIT-YBFXNURJSA-N -1 0 501.753 5.892 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000409044238 1071851674 /nfs/dbraw/zinc/85/16/74/1071851674.db2.gz UTQJFVSVNUWNKF-CNHKJKLMSA-N -1 0 584.670 7.507 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1C ZINC000408786066 1071852455 /nfs/dbraw/zinc/85/24/55/1071852455.db2.gz KXGJJUSBODLWQT-WGOQTCKBSA-N -1 0 510.977 6.355 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408785769 1071855234 /nfs/dbraw/zinc/85/52/34/1071855234.db2.gz ZALZHWLILYSUCY-XSFVSMFZSA-N -1 0 510.421 6.365 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409043811 1071856195 /nfs/dbraw/zinc/85/61/95/1071856195.db2.gz ARDAYXABHUQYHA-VXLYETTFSA-N -1 0 546.750 5.800 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408784852 1071862788 /nfs/dbraw/zinc/86/27/88/1071862788.db2.gz UMDBHAUOIXZNRK-LICLKQGHSA-N -1 0 590.257 6.318 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409043662 1071857583 /nfs/dbraw/zinc/85/75/83/1071857583.db2.gz SWFFZNTXAGDTNB-CAOOACKPSA-N -1 0 570.643 7.199 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409043671 1071857602 /nfs/dbraw/zinc/85/76/02/1071857602.db2.gz SYLQCOFTCJEYSI-RQZCQDPDSA-N -1 0 666.255 5.291 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408785414 1071857975 /nfs/dbraw/zinc/85/79/75/1071857975.db2.gz ZDMXAMXENKSXIK-RGVLZGJSSA-N -1 0 602.812 5.507 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408784744 1071861523 /nfs/dbraw/zinc/86/15/23/1071861523.db2.gz XDUSBPBQISQAJS-WOJGMQOQSA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C)cc3)C2=O)cc1 ZINC000409043230 1071861877 /nfs/dbraw/zinc/86/18/77/1071861877.db2.gz DJSMCJFBNYHGLF-LPYMAVHISA-N -1 0 614.290 6.164 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409042573 1071866700 /nfs/dbraw/zinc/86/67/00/1071866700.db2.gz NLSIJEUDCYXHJC-RGVLZGJSSA-N -1 0 645.260 5.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408783136 1071871515 /nfs/dbraw/zinc/87/15/15/1071871515.db2.gz LIEXAACPENWDKP-VCHYOVAHSA-N -1 0 615.864 5.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408783439 1071869637 /nfs/dbraw/zinc/86/96/37/1071869637.db2.gz PDUVVMDNKNNLTM-RGVLZGJSSA-N -1 0 634.708 6.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408782910 1071874925 /nfs/dbraw/zinc/87/49/25/1071874925.db2.gz LCDCTUYOYDQSIV-CAOOACKPSA-N -1 0 674.772 6.357 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)c2C)cc1 ZINC000408782620 1071875530 /nfs/dbraw/zinc/87/55/30/1071875530.db2.gz XMOHEYADFJNVEB-UDWIEESQSA-N -1 0 526.376 5.244 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c1C)CCCC2 ZINC000408782599 1071875557 /nfs/dbraw/zinc/87/55/57/1071875557.db2.gz KWBJYPUHUZPAJT-DEDYPNTBSA-N -1 0 554.093 5.306 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408783194 1071872286 /nfs/dbraw/zinc/87/22/86/1071872286.db2.gz KZDGKQDAAKJYGS-OGLMXYFKSA-N -1 0 540.019 6.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408794684 1071884615 /nfs/dbraw/zinc/88/46/15/1071884615.db2.gz ATVFBHJHPMUORJ-MFKUBSTISA-N -1 0 613.508 7.172 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408794657 1071883814 /nfs/dbraw/zinc/88/38/14/1071883814.db2.gz AISZYEUMHKVUIK-CIAFOILYSA-N -1 0 616.839 5.761 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408796889 1071877928 /nfs/dbraw/zinc/87/79/28/1071877928.db2.gz FCMLFLBKGSSACN-LPYMAVHISA-N -1 0 561.421 6.709 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408797116 1071878097 /nfs/dbraw/zinc/87/80/97/1071878097.db2.gz BGHVWTVXVPYTEJ-KEBDBYFISA-N -1 0 600.809 5.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408796148 1071880064 /nfs/dbraw/zinc/88/00/64/1071880064.db2.gz DTGAEQFUAQJCQE-ZVHZXABRSA-N -1 0 632.454 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409041509 1071880586 /nfs/dbraw/zinc/88/05/86/1071880586.db2.gz JVBOEDRRPNXKNZ-CXUHLZMHSA-N -1 0 580.649 6.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408791048 1071892157 /nfs/dbraw/zinc/89/21/57/1071892157.db2.gz VHIFZXUVRCZNAZ-AWQFTUOYSA-N -1 0 579.403 5.049 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408791061 1071892306 /nfs/dbraw/zinc/89/23/06/1071892306.db2.gz VLWCDUFSLJEOKM-SRZZPIQSSA-N -1 0 569.839 5.973 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408790711 1071892735 /nfs/dbraw/zinc/89/27/35/1071892735.db2.gz RBTGGFDSIDHOEK-AWQFTUOYSA-N -1 0 651.284 6.469 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408790358 1071893296 /nfs/dbraw/zinc/89/32/96/1071893296.db2.gz QRLTYTJMKDNEMZ-DJKKODMXSA-N -1 0 624.702 7.053 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408789902 1071894388 /nfs/dbraw/zinc/89/43/88/1071894388.db2.gz OMAMEEGIKFEDGY-AFUMVMLFSA-N -1 0 541.003 6.364 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(Br)c3)C2=O)cc1 ZINC000408789623 1071895058 /nfs/dbraw/zinc/89/50/58/1071895058.db2.gz NDYPDLAYTOUBLZ-UDWIEESQSA-N -1 0 617.237 5.608 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)c(OC)c2)C1=O ZINC000408789488 1071896018 /nfs/dbraw/zinc/89/60/18/1071896018.db2.gz LKFUHISHHZSNCQ-KGENOOAVSA-N -1 0 582.394 5.108 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408806375 1071904402 /nfs/dbraw/zinc/90/44/02/1071904402.db2.gz IYJFOWLHGAOYOI-FYJGNVAPSA-N -1 0 541.785 5.357 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408805489 1071906417 /nfs/dbraw/zinc/90/64/17/1071906417.db2.gz KRJXIEKNQKGMEY-DEDYPNTBSA-N -1 0 511.759 5.348 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000408806386 1071904508 /nfs/dbraw/zinc/90/45/08/1071904508.db2.gz JAIVKPFQDCKPGH-VXLYETTFSA-N -1 0 515.780 6.201 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408805474 1071906441 /nfs/dbraw/zinc/90/64/41/1071906441.db2.gz KJNXCTSVXHZYRQ-VCHYOVAHSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408806001 1071904998 /nfs/dbraw/zinc/90/49/98/1071904998.db2.gz DOYUWCFWMLUFEH-MFKUBSTISA-N -1 0 537.528 5.392 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408806015 1071905016 /nfs/dbraw/zinc/90/50/16/1071905016.db2.gz DTAOXWHRJQOLBE-UDWIEESQSA-N -1 0 569.795 5.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408805492 1071906204 /nfs/dbraw/zinc/90/62/04/1071906204.db2.gz KRTHGFIMPODCAX-VULFUBBASA-N -1 0 743.381 7.821 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409039152 1071902504 /nfs/dbraw/zinc/90/25/04/1071902504.db2.gz BRWPEULQHLISTG-WSDLNYQXSA-N -1 0 533.367 6.098 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1C ZINC000408806881 1071902651 /nfs/dbraw/zinc/90/26/51/1071902651.db2.gz BLEOAYZSCGCNEG-CIAFOILYSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408806898 1071902954 /nfs/dbraw/zinc/90/29/54/1071902954.db2.gz NOIACAJBHGQYPM-CIAFOILYSA-N -1 0 616.383 5.083 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c1 ZINC000408805245 1071906921 /nfs/dbraw/zinc/90/69/21/1071906921.db2.gz FIBDFNUQRTXTRC-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408805132 1071907999 /nfs/dbraw/zinc/90/79/99/1071907999.db2.gz IPUNRSRKCFDPKB-DEDYPNTBSA-N -1 0 586.258 7.699 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408805087 1071908032 /nfs/dbraw/zinc/90/80/32/1071908032.db2.gz DLFKVNRZQDAEOG-CIAFOILYSA-N -1 0 569.397 5.424 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000409055966 1071925146 /nfs/dbraw/zinc/92/51/46/1071925146.db2.gz KHDDAYLIQMSTJI-CXUHLZMHSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409055567 1071926075 /nfs/dbraw/zinc/92/60/75/1071926075.db2.gz JHAZIQURCJDCNG-VXLYETTFSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409055061 1071931034 /nfs/dbraw/zinc/93/10/34/1071931034.db2.gz HYSXOMOACLNPHB-VCHYOVAHSA-N -1 0 608.645 6.250 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000409054306 1071934155 /nfs/dbraw/zinc/93/41/55/1071934155.db2.gz FIQAKBNZCUYSDV-YDZHTSKRSA-N -1 0 575.404 6.179 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C1=O ZINC000409053885 1071937146 /nfs/dbraw/zinc/93/71/46/1071937146.db2.gz DGCBQDUOPUMWOG-RQZCQDPDSA-N -1 0 550.225 6.854 40 10 KKCBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409050130 1071960569 /nfs/dbraw/zinc/96/05/69/1071960569.db2.gz ZEPHFUMEBMWYOV-ONNFQVAWSA-N -1 0 549.002 5.193 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409050059 1071960602 /nfs/dbraw/zinc/96/06/02/1071960602.db2.gz ZTKCVNYDGWFUDB-GIJQJNRQSA-N -1 0 608.645 6.250 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409050166 1071958910 /nfs/dbraw/zinc/95/89/10/1071958910.db2.gz ZRQLGMACFCXBFH-WOJGMQOQSA-N -1 0 579.845 5.698 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc(F)c2)C1=O ZINC000409049373 1071964932 /nfs/dbraw/zinc/96/49/32/1071964932.db2.gz WJSUBNILDYQTFL-VCHYOVAHSA-N -1 0 622.672 6.558 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409049402 1071965507 /nfs/dbraw/zinc/96/55/07/1071965507.db2.gz WOWXLOSTTWTFFA-CVKSISIWSA-N -1 0 680.324 7.175 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C1=O ZINC000409049150 1071965601 /nfs/dbraw/zinc/96/56/01/1071965601.db2.gz WHIZHVIHYDGTGT-SSDVNMTOSA-N -1 0 565.840 7.354 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409049172 1071966071 /nfs/dbraw/zinc/96/60/71/1071966071.db2.gz VGRXSTAOVCFHHC-VXLYETTFSA-N -1 0 519.743 6.031 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409049066 1071967800 /nfs/dbraw/zinc/96/78/00/1071967800.db2.gz VSRGMWOVNFUIIU-VCHYOVAHSA-N -1 0 560.777 6.109 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409049092 1071967873 /nfs/dbraw/zinc/96/78/73/1071967873.db2.gz WDTCFHZHLYAGFG-WPWMEQJKSA-N -1 0 670.516 6.111 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409048824 1071969292 /nfs/dbraw/zinc/96/92/92/1071969292.db2.gz UFEQQHPXFPYPPX-QGMBQPNBSA-N -1 0 680.103 6.128 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409048600 1071969831 /nfs/dbraw/zinc/96/98/31/1071969831.db2.gz SOCPFXOVGUUTQP-RGVLZGJSSA-N -1 0 649.133 6.528 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409048633 1071970378 /nfs/dbraw/zinc/97/03/78/1071970378.db2.gz TXYSJWHQLDOVBQ-YBFXNURJSA-N -1 0 570.237 5.765 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409048103 1071973255 /nfs/dbraw/zinc/97/32/55/1071973255.db2.gz RJBDSNTXQBJYOG-LDADJPATSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C1=O ZINC000409047885 1071976799 /nfs/dbraw/zinc/97/67/99/1071976799.db2.gz PXIGVUVUUAQTAV-LDADJPATSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409047654 1071979783 /nfs/dbraw/zinc/97/97/83/1071979783.db2.gz PGPGDVBJNTYLRV-LPYMAVHISA-N -1 0 606.270 6.610 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409058741 1071985825 /nfs/dbraw/zinc/98/58/25/1071985825.db2.gz SUCXDIDNRQYTDJ-VXLYETTFSA-N -1 0 564.194 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409057590 1071991402 /nfs/dbraw/zinc/99/14/02/1071991402.db2.gz QBPMKNNNXHYOJA-VCHYOVAHSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409058173 1071988231 /nfs/dbraw/zinc/98/82/31/1071988231.db2.gz RXOJEAMFLNGWSA-DJKKODMXSA-N -1 0 546.750 5.800 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409057701 1071992335 /nfs/dbraw/zinc/99/23/35/1071992335.db2.gz QJDDUXZDTGPNKH-KEBDBYFISA-N -1 0 659.864 5.254 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409057559 1071993498 /nfs/dbraw/zinc/99/34/98/1071993498.db2.gz PVQDPAYBLOQZAI-CAOOACKPSA-N -1 0 639.127 7.072 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066555 1072002157 /nfs/dbraw/zinc/00/21/57/1072002157.db2.gz OZTSJDVXSMLXAG-CIAFOILYSA-N -1 0 633.904 5.552 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409066533 1072002209 /nfs/dbraw/zinc/00/22/09/1072002209.db2.gz NIVWJGLQGDRWRW-VIZOYTHASA-N -1 0 709.583 6.606 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409066070 1072004095 /nfs/dbraw/zinc/00/40/95/1072004095.db2.gz LNIYNPIEGAPQPB-BUVRLJJBSA-N -1 0 712.372 6.225 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409066784 1071999793 /nfs/dbraw/zinc/99/97/93/1071999793.db2.gz BLMAQGGFWCWBME-KAQJVSAMSA-N -1 0 542.213 5.608 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066822 1072000051 /nfs/dbraw/zinc/00/00/51/1072000051.db2.gz MKBBUXMWHRZWDD-LICLKQGHSA-N -1 0 640.295 5.507 40 10 KKCBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)cc1 ZINC000409066841 1072000154 /nfs/dbraw/zinc/00/01/54/1072000154.db2.gz MMKPNLJMZBQTLZ-DEDYPNTBSA-N -1 0 504.373 5.971 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409065617 1072007163 /nfs/dbraw/zinc/00/71/63/1072007163.db2.gz ICTIAOCAJKMVRY-UDWIEESQSA-N -1 0 595.844 5.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409059654 1072038210 /nfs/dbraw/zinc/03/82/10/1072038210.db2.gz WGAOCPUKUIUISG-UBKPWBPPSA-N -1 0 659.545 7.417 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409076229 1072053708 /nfs/dbraw/zinc/05/37/08/1072053708.db2.gz AARZIRMMIDIPHJ-GZTJUZNOSA-N -1 0 640.295 5.589 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409076183 1072053764 /nfs/dbraw/zinc/05/37/64/1072053764.db2.gz ZDMZQWLFLZYWGB-VCHYOVAHSA-N -1 0 670.719 5.308 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000409075585 1072059190 /nfs/dbraw/zinc/05/91/90/1072059190.db2.gz SBRBCIJTPYFPNN-FYJGNVAPSA-N -1 0 605.452 5.225 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409074625 1072067785 /nfs/dbraw/zinc/06/77/85/1072067785.db2.gz UFWHTZYIZNHMLV-LFIBNONCSA-N -1 0 596.242 5.190 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409074015 1072071247 /nfs/dbraw/zinc/07/12/47/1072071247.db2.gz JLXFZZOECPODHC-OVVQPSECSA-N -1 0 589.025 5.353 40 10 KKCBRM O=C([O-])COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409073695 1072072754 /nfs/dbraw/zinc/07/27/54/1072072754.db2.gz WYKGYKXPKUZTJT-UHFFFAOYSA-N -1 0 511.317 5.040 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409073466 1072075777 /nfs/dbraw/zinc/07/57/77/1072075777.db2.gz NJXFJCBVPOFJEE-CAOOACKPSA-N -1 0 685.690 5.207 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072377 1072082760 /nfs/dbraw/zinc/08/27/60/1072082760.db2.gz BXUNSNWOZNBCPH-VXLYETTFSA-N -1 0 654.322 5.897 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071892 1072087424 /nfs/dbraw/zinc/08/74/24/1072087424.db2.gz SQOLVNDDQTXDIF-GIJQJNRQSA-N -1 0 687.295 5.349 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070365 1072095656 /nfs/dbraw/zinc/09/56/56/1072095656.db2.gz YVGYHWTUCYPDIG-YZSQISJMSA-N -1 0 619.051 5.362 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C1=O ZINC000409070428 1072096274 /nfs/dbraw/zinc/09/62/74/1072096274.db2.gz GFXSXJVYMGATQA-GZTJUZNOSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068752 1072108848 /nfs/dbraw/zinc/10/88/48/1072108848.db2.gz BTXIMXGAKBDVOJ-GIJQJNRQSA-N -1 0 675.138 5.953 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409080905 1072119212 /nfs/dbraw/zinc/11/92/12/1072119212.db2.gz ODXPSSDMPDFXPV-LICLKQGHSA-N -1 0 589.866 5.512 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079792 1072128776 /nfs/dbraw/zinc/12/87/76/1072128776.db2.gz LWZOQNGLHNXSDM-CAOOACKPSA-N -1 0 624.355 7.086 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078909 1072139111 /nfs/dbraw/zinc/13/91/11/1072139111.db2.gz JBCFOWSERAIGCL-VCHYOVAHSA-N -1 0 627.360 5.132 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409079426 1072135036 /nfs/dbraw/zinc/13/50/36/1072135036.db2.gz JUCLGXSKPMPSAN-OQLLNIDSSA-N -1 0 557.302 5.577 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078808 1072140797 /nfs/dbraw/zinc/14/07/97/1072140797.db2.gz DCRUPBZLAQNHEV-LZYBPNLTSA-N -1 0 677.174 5.395 40 10 KKCBRM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br ZINC000409078227 1072146944 /nfs/dbraw/zinc/14/69/44/1072146944.db2.gz HMLRRXPPMWHUMD-WQRHYEAKSA-N -1 0 556.210 5.510 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409078121 1072148723 /nfs/dbraw/zinc/14/87/23/1072148723.db2.gz GZDOWLILEXYFOZ-GIDUJCDVSA-N -1 0 591.747 6.230 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077840 1072152424 /nfs/dbraw/zinc/15/24/24/1072152424.db2.gz AIVCYVMGYCREPA-RQZCQDPDSA-N -1 0 685.324 6.215 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1C ZINC000409077843 1072152433 /nfs/dbraw/zinc/15/24/33/1072152433.db2.gz AJMOGBXAOYQILO-GIJQJNRQSA-N -1 0 660.231 6.104 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077850 1072152435 /nfs/dbraw/zinc/15/24/35/1072152435.db2.gz AKAFCXURVJGWSR-FRKPEAEDSA-N -1 0 666.622 6.140 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077617 1072152669 /nfs/dbraw/zinc/15/26/69/1072152669.db2.gz GEZBJEOYGWGORV-CXUHLZMHSA-N -1 0 645.806 6.085 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409087073 1072160704 /nfs/dbraw/zinc/16/07/04/1072160704.db2.gz AKLVNZIZQCSHEA-LZYBPNLTSA-N -1 0 596.301 6.388 40 10 KKCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000409086165 1072170391 /nfs/dbraw/zinc/17/03/91/1072170391.db2.gz GBBDCNLYGJTBOQ-ZMOGYAJESA-N -1 0 505.014 5.873 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085937 1072170786 /nfs/dbraw/zinc/17/07/86/1072170786.db2.gz XNBSGVJBPCWBSG-VXLYETTFSA-N -1 0 603.937 6.741 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085163 1072182671 /nfs/dbraw/zinc/18/26/71/1072182671.db2.gz RLQVQZRKMUYYFP-UDWIEESQSA-N -1 0 569.492 6.088 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084687 1072186892 /nfs/dbraw/zinc/18/68/92/1072186892.db2.gz XBFMCBHECVBOAM-RQZCQDPDSA-N -1 0 610.328 6.778 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409084559 1072189128 /nfs/dbraw/zinc/18/91/28/1072189128.db2.gz XNZMEPFCIVWRKK-UNOMPAQXSA-N -1 0 527.411 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082264 1072212442 /nfs/dbraw/zinc/21/24/42/1072212442.db2.gz IQURSDXUWUZZOE-RQZCQDPDSA-N -1 0 610.726 6.488 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409081680 1072219448 /nfs/dbraw/zinc/21/94/48/1072219448.db2.gz QCKFRZKWVYGXAV-VIZOYTHASA-N -1 0 582.274 6.085 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409081649 1072222081 /nfs/dbraw/zinc/22/20/81/1072222081.db2.gz HLNUHTHHPJLRQG-OQLLNIDSSA-N -1 0 601.753 5.686 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409081510 1072223683 /nfs/dbraw/zinc/22/36/83/1072223683.db2.gz PTJYQPDRONDRRE-RQZCQDPDSA-N -1 0 601.753 5.686 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409093289 1072254561 /nfs/dbraw/zinc/25/45/61/1072254561.db2.gz YPKRZPGNOYQXLR-GIDUJCDVSA-N -1 0 614.747 7.341 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092938 1072256944 /nfs/dbraw/zinc/25/69/44/1072256944.db2.gz WZSGBWVAYUIGGG-OQLLNIDSSA-N -1 0 610.328 6.778 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091820 1072267999 /nfs/dbraw/zinc/26/79/99/1072267999.db2.gz SAZPEQOZLFSKFG-FRKPEAEDSA-N -1 0 631.779 5.695 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091901 1072266174 /nfs/dbraw/zinc/26/61/74/1072266174.db2.gz SYGLVZUPYPMNPE-FRKPEAEDSA-N -1 0 573.301 5.277 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090790 1072277847 /nfs/dbraw/zinc/27/78/47/1072277847.db2.gz QENSPGQMMCKWHG-RQZCQDPDSA-N -1 0 642.331 5.031 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090709 1072279761 /nfs/dbraw/zinc/27/97/61/1072279761.db2.gz NWEIASVSJABWMM-CXUHLZMHSA-N -1 0 610.328 6.778 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409089853 1072284986 /nfs/dbraw/zinc/28/49/86/1072284986.db2.gz KRCJMURKEILTEI-WSDLNYQXSA-N -1 0 761.301 8.176 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409089832 1072287121 /nfs/dbraw/zinc/28/71/21/1072287121.db2.gz KLWLXNUPEPACFW-GIDUJCDVSA-N -1 0 666.622 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089506 1072288813 /nfs/dbraw/zinc/28/88/13/1072288813.db2.gz MRJJLRVLVLUEQQ-YDZHTSKRSA-N -1 0 672.399 7.958 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000409089243 1072292295 /nfs/dbraw/zinc/29/22/95/1072292295.db2.gz ZCWTVRBLOUVRKJ-RQZCQDPDSA-N -1 0 610.328 6.778 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409089042 1072293070 /nfs/dbraw/zinc/29/30/70/1072293070.db2.gz LOJDHSWYKFSUQI-VIZOYTHASA-N -1 0 611.272 6.287 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409088555 1072296284 /nfs/dbraw/zinc/29/62/84/1072296284.db2.gz GFCYVZYEGJVISG-VIZOYTHASA-N -1 0 577.720 5.922 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088089 1072302979 /nfs/dbraw/zinc/30/29/79/1072302979.db2.gz FDIVZFUBZRGMKS-OQLLNIDSSA-N -1 0 701.779 6.729 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087474 1072308601 /nfs/dbraw/zinc/30/86/01/1072308601.db2.gz CQUMFPXAUHGFRD-GZTJUZNOSA-N -1 0 531.830 5.726 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409101180 1072316298 /nfs/dbraw/zinc/31/62/98/1072316298.db2.gz WDIZTZFXXMGMLW-DEDYPNTBSA-N -1 0 511.024 5.340 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409334211 1072348486 /nfs/dbraw/zinc/34/84/86/1072348486.db2.gz WGIDJYWIIYLJRQ-MFOYZWKCSA-N -1 0 589.860 5.208 40 10 KKCBRM CCN(CC)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409331783 1072365968 /nfs/dbraw/zinc/36/59/68/1072365968.db2.gz HVZYKBYLZUWHSK-YFHOEESVSA-N -1 0 505.358 5.698 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409330756 1072373823 /nfs/dbraw/zinc/37/38/23/1072373823.db2.gz LWGJBYSPOXXULA-VXLYETTFSA-N -1 0 581.575 6.022 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409329619 1072383509 /nfs/dbraw/zinc/38/35/09/1072383509.db2.gz GKESGRYEXUGLQL-PCLIKHOPSA-N -1 0 546.695 6.425 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[N-]C1=S ZINC000409108859 1072403562 /nfs/dbraw/zinc/40/35/62/1072403562.db2.gz YHXWHOASUCXOOP-XNTDXEJSSA-N -1 0 502.335 5.301 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409108456 1072407461 /nfs/dbraw/zinc/40/74/61/1072407461.db2.gz VZBUAUKQALWBGZ-XFXZXTDPSA-N -1 0 506.685 5.481 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409107845 1072411091 /nfs/dbraw/zinc/41/10/91/1072411091.db2.gz RHQMFPKTXHTPKJ-BWAHOGKJSA-N -1 0 623.452 7.693 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409123282 1072417443 /nfs/dbraw/zinc/41/74/43/1072417443.db2.gz BPKLNGCUXSPFPZ-WSDLNYQXSA-N -1 0 674.463 5.477 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409122623 1072421020 /nfs/dbraw/zinc/42/10/20/1072421020.db2.gz AJHNFMQKGWTWOJ-BUVRLJJBSA-N -1 0 579.049 5.777 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409344163 1072435541 /nfs/dbraw/zinc/43/55/41/1072435541.db2.gz FWPQZPMTRQSQII-PXNMLYILSA-N -1 0 573.284 5.085 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1OC ZINC000409126633 1072451906 /nfs/dbraw/zinc/45/19/06/1072451906.db2.gz LWAWHRASHODWNH-IWIPYMOSSA-N -1 0 534.996 5.378 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OC ZINC000409125897 1072457695 /nfs/dbraw/zinc/45/76/95/1072457695.db2.gz DEDQRRNWYIQXQB-SRZZPIQSSA-N -1 0 676.333 6.389 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c1 ZINC000409339474 1072476385 /nfs/dbraw/zinc/47/63/85/1072476385.db2.gz IQXXVFUDGOGVMS-GRSHGNNSSA-N -1 0 608.797 5.578 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S)c1cccs1 ZINC000409338705 1072482537 /nfs/dbraw/zinc/48/25/37/1072482537.db2.gz ORNOPXHHHRDZKV-YBFXNURJSA-N -1 0 505.017 5.666 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409135139 1072486151 /nfs/dbraw/zinc/48/61/51/1072486151.db2.gz UTXCKVBFDCAPNI-WSDLNYQXSA-N -1 0 534.468 6.445 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133041 1072501960 /nfs/dbraw/zinc/50/19/60/1072501960.db2.gz MBSANAZPJIACBI-YDZHTSKRSA-N -1 0 657.945 6.540 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409129987 1072517818 /nfs/dbraw/zinc/51/78/18/1072517818.db2.gz LNTBDAQCECDIKP-RGVLZGJSSA-N -1 0 603.886 6.685 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000409129198 1072521181 /nfs/dbraw/zinc/52/11/81/1072521181.db2.gz FMDSWVXECBHQPQ-BOPFTXTBSA-N -1 0 526.368 5.065 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000409127903 1072528786 /nfs/dbraw/zinc/52/87/86/1072528786.db2.gz KGBPXBALZROOQG-KOEQRZSOSA-N -1 0 500.668 5.388 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1OC ZINC000409144749 1072532051 /nfs/dbraw/zinc/53/20/51/1072532051.db2.gz PSJAVODNJDMYGT-NLRVBDNBSA-N -1 0 585.056 6.532 40 10 KKCBRM Cc1ccc(OCCn2cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409144499 1072533920 /nfs/dbraw/zinc/53/39/20/1072533920.db2.gz LJSGLEVOMRIRDT-MFKUBSTISA-N -1 0 558.432 5.453 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409350890 1072540935 /nfs/dbraw/zinc/54/09/35/1072540935.db2.gz SRDARTHBWBMUOI-MTJSOVHGSA-N -1 0 605.475 5.708 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OC ZINC000409142516 1072547718 /nfs/dbraw/zinc/54/77/18/1072547718.db2.gz KQRGCIYIVOPAAA-WGOQTCKBSA-N -1 0 629.507 6.641 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409137475 1072574859 /nfs/dbraw/zinc/57/48/59/1072574859.db2.gz VJMLMNBNGYAZFT-WPWMEQJKSA-N -1 0 582.707 6.602 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409146525 1072580563 /nfs/dbraw/zinc/58/05/63/1072580563.db2.gz TWIOVAWDUFLZHC-WPWMEQJKSA-N -1 0 570.114 6.775 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364966 1072581213 /nfs/dbraw/zinc/58/12/13/1072581213.db2.gz RSTFBOJALLBCJY-KEBDBYFISA-N -1 0 630.854 5.633 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409146387 1072581494 /nfs/dbraw/zinc/58/14/94/1072581494.db2.gz SMHMBIAUWVHXLK-CJLVFECKSA-N -1 0 534.996 5.378 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409364878 1072582143 /nfs/dbraw/zinc/58/21/43/1072582143.db2.gz QYAKXOVMCNJIEP-PKAZHMFMSA-N -1 0 600.002 5.742 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OC ZINC000409145563 1072586978 /nfs/dbraw/zinc/58/69/78/1072586978.db2.gz IVBHOKXUFOWGEN-WGOQTCKBSA-N -1 0 585.056 6.532 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000409363832 1072587848 /nfs/dbraw/zinc/58/78/48/1072587848.db2.gz OBIKJOKLSPVEGW-MFOYZWKCSA-N -1 0 562.768 5.470 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OC ZINC000409363868 1072588346 /nfs/dbraw/zinc/58/83/46/1072588346.db2.gz OGAISHWBAQQGGP-HMAPJEAMSA-N -1 0 626.435 5.070 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000409147333 1072590713 /nfs/dbraw/zinc/59/07/13/1072590713.db2.gz YOUHSZSMTWLBBI-ZVHZXABRSA-N -1 0 557.068 6.311 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409362523 1072594430 /nfs/dbraw/zinc/59/44/30/1072594430.db2.gz HIQJLXLEJWWAOQ-HYARGMPZSA-N -1 0 596.011 5.351 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409361198 1072602317 /nfs/dbraw/zinc/60/23/17/1072602317.db2.gz APPHZXOJFDGEMA-VEILYXNESA-N -1 0 565.557 5.089 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1 ZINC000409154169 1072607762 /nfs/dbraw/zinc/60/77/62/1072607762.db2.gz MXOSGRZHQLHMNZ-WOVHNISZSA-N -1 0 520.423 6.870 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc5ccccc54)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409377036 1072626086 /nfs/dbraw/zinc/62/60/86/1072626086.db2.gz FLZYVPWMHDQIRW-MFKUBSTISA-N -1 0 601.522 6.584 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409377019 1072627207 /nfs/dbraw/zinc/62/72/07/1072627207.db2.gz FDKXINUSPWMXMH-BUVRLJJBSA-N -1 0 652.100 5.619 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(CC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000409376767 1072627391 /nfs/dbraw/zinc/62/73/91/1072627391.db2.gz AYGYOHNXDFMPFS-SJIPCVTESA-N -1 0 625.750 7.382 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409376830 1072627965 /nfs/dbraw/zinc/62/79/65/1072627965.db2.gz DGRHFUXXMAIWIE-YBFXNURJSA-N -1 0 642.890 5.502 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C(=O)[N-]C2=S)cc1 ZINC000409376715 1072628426 /nfs/dbraw/zinc/62/84/26/1072628426.db2.gz AGXSLDMULPIJFD-XSFVSMFZSA-N -1 0 508.441 5.250 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409376533 1072629004 /nfs/dbraw/zinc/62/90/04/1072629004.db2.gz YWCAGYIKGCGUBE-FYJGNVAPSA-N -1 0 600.332 6.184 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409150282 1072630993 /nfs/dbraw/zinc/63/09/93/1072630993.db2.gz ASHHDKHZEAFJJR-UNVFRBQDSA-N -1 0 520.423 6.870 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409375381 1072632804 /nfs/dbraw/zinc/63/28/04/1072632804.db2.gz JYSMNOQCBFQGOO-DEDYPNTBSA-N -1 0 539.426 5.561 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409375023 1072633866 /nfs/dbraw/zinc/63/38/66/1072633866.db2.gz DGLASICFUBCUPC-NVNXTCNLSA-N -1 0 637.245 5.588 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409374298 1072638193 /nfs/dbraw/zinc/63/81/93/1072638193.db2.gz LVHCJJJSLYWYAT-VXLYETTFSA-N -1 0 559.800 5.335 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000409148558 1072641118 /nfs/dbraw/zinc/64/11/18/1072641118.db2.gz ZVKPSJHIYBURHC-PCLIKHOPSA-N -1 0 514.578 5.033 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409372378 1072645412 /nfs/dbraw/zinc/64/54/12/1072645412.db2.gz KOLAKHXVWAYUHI-REZTVBANSA-N -1 0 580.218 5.599 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409372281 1072645990 /nfs/dbraw/zinc/64/59/90/1072645990.db2.gz JWVNNISWGBMMQM-FRKPEAEDSA-N -1 0 535.767 5.489 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409372319 1072646628 /nfs/dbraw/zinc/64/66/28/1072646628.db2.gz DEFWDGNXSCDDMV-LFVJCYFKSA-N -1 0 568.655 5.542 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409370959 1072651318 /nfs/dbraw/zinc/65/13/18/1072651318.db2.gz AKSIJFMZFZXSRM-REZTVBANSA-N -1 0 535.767 5.489 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1Cl ZINC000409370361 1072654358 /nfs/dbraw/zinc/65/43/58/1072654358.db2.gz PPMLOMFDDKILBM-LICLKQGHSA-N -1 0 542.350 5.125 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409370436 1072654918 /nfs/dbraw/zinc/65/49/18/1072654918.db2.gz QTLVSGRVYODRSB-RQZCQDPDSA-N -1 0 616.827 5.243 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409370446 1072654926 /nfs/dbraw/zinc/65/49/26/1072654926.db2.gz QYOSYFLTRYTNBP-LPYMAVHISA-N -1 0 657.486 5.571 40 10 KKCBRM CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1 ZINC000409165070 1072655870 /nfs/dbraw/zinc/65/58/70/1072655870.db2.gz RZUOVSOOPUBSMO-RGVLZGJSSA-N -1 0 528.995 5.695 40 10 KKCBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409369053 1072661006 /nfs/dbraw/zinc/66/10/06/1072661006.db2.gz ZKKCJBROLAUZTL-GRSHGNNSSA-N -1 0 548.429 6.198 40 10 KKCBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)o1 ZINC000409162374 1072671267 /nfs/dbraw/zinc/67/12/67/1072671267.db2.gz UZBKAYUYVYTNDJ-YVNNLAQVSA-N -1 0 522.648 5.402 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409378540 1072675279 /nfs/dbraw/zinc/67/52/79/1072675279.db2.gz PVVNWVOIRMBARN-SXGWCWSVSA-N -1 0 604.830 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409378047 1072678423 /nfs/dbraw/zinc/67/84/23/1072678423.db2.gz MUHKHYICOVWERG-WGOQTCKBSA-N -1 0 615.549 6.974 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409377975 1072678506 /nfs/dbraw/zinc/67/85/06/1072678506.db2.gz LCZMRLBYHYCEQQ-DHDCSXOGSA-N -1 0 562.768 5.470 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409384085 1072681114 /nfs/dbraw/zinc/68/11/14/1072681114.db2.gz ACLPNXWIRZMMSD-KEBDBYFISA-N -1 0 628.863 5.112 40 10 KKCBRM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)ccc1Cl ZINC000409159725 1072687149 /nfs/dbraw/zinc/68/71/49/1072687149.db2.gz WROIARQEBJZLEP-UUYOSTAYSA-N -1 0 568.991 5.458 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)ccc1Cl ZINC000409159058 1072689584 /nfs/dbraw/zinc/68/95/84/1072689584.db2.gz MKHUZRCUYDBSDE-VXLYETTFSA-N -1 0 518.772 6.297 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409385188 1072695287 /nfs/dbraw/zinc/69/52/87/1072695287.db2.gz GOHKNXCXEUZJIU-OEAKJJBVSA-N -1 0 579.516 6.129 40 10 KKCBRM Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384904 1072696547 /nfs/dbraw/zinc/69/65/47/1072696547.db2.gz FXHJZOMWVDPGLY-UHFFFAOYSA-N -1 0 581.719 6.481 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167272 1072700179 /nfs/dbraw/zinc/70/01/79/1072700179.db2.gz ICCGQMGFLZYVFS-SRGWNRLKSA-N -1 0 575.286 7.868 40 10 KKCBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000409383361 1072702337 /nfs/dbraw/zinc/70/23/37/1072702337.db2.gz WNPOPPKQDVUHDQ-BPKVKKHESA-N -1 0 521.795 5.263 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409383055 1072704235 /nfs/dbraw/zinc/70/42/35/1072704235.db2.gz QYSXKOYXXDWACL-NDENLUEZSA-N -1 0 565.985 5.179 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409382740 1072705154 /nfs/dbraw/zinc/70/51/54/1072705154.db2.gz OHJDEOZRIWUDDF-YZSQISJMSA-N -1 0 527.045 6.466 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccccc2F)C1=O ZINC000409382488 1072706494 /nfs/dbraw/zinc/70/64/94/1072706494.db2.gz NNNYEUMMTNIOOS-WOJGMQOQSA-N -1 0 586.801 5.234 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409382316 1072707038 /nfs/dbraw/zinc/70/70/38/1072707038.db2.gz ZTPUAIJWNHRJHF-MTDXEUNCSA-N -1 0 553.659 6.206 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1OC ZINC000409382401 1072707550 /nfs/dbraw/zinc/70/75/50/1072707550.db2.gz LRNMZQARUJKLBB-STZFKDTASA-N -1 0 638.073 5.229 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409381548 1072711802 /nfs/dbraw/zinc/71/18/02/1072711802.db2.gz GIBBWRXRPYAMPG-UDWIEESQSA-N -1 0 634.379 7.127 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409381236 1072713546 /nfs/dbraw/zinc/71/35/46/1072713546.db2.gz DVGWCPSYJXXFLC-LPYMAVHISA-N -1 0 582.053 5.289 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(F)cc4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409381034 1072714715 /nfs/dbraw/zinc/71/47/15/1072714715.db2.gz DESDIIYJVHUCTQ-YZSQISJMSA-N -1 0 510.590 5.952 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409380779 1072716395 /nfs/dbraw/zinc/71/63/95/1072716395.db2.gz ANKKJQMCKVQXFI-FYJGNVAPSA-N -1 0 613.433 5.172 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409379711 1072721862 /nfs/dbraw/zinc/72/18/62/1072721862.db2.gz YOLOIVMMANHXKN-FYJGNVAPSA-N -1 0 555.483 6.365 40 10 KKCBRM COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)c3ccccc32)o1 ZINC000409394148 1072723608 /nfs/dbraw/zinc/72/36/08/1072723608.db2.gz WMFDJMGFJPXZBF-VCHYOVAHSA-N -1 0 538.343 5.042 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409391624 1072727548 /nfs/dbraw/zinc/72/75/48/1072727548.db2.gz IYZCCDIFGJCECP-DIBXZPPDSA-N -1 0 555.550 5.781 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409389409 1072733374 /nfs/dbraw/zinc/73/33/74/1072733374.db2.gz YQQCVNYKXZTEGW-YBFXNURJSA-N -1 0 590.326 6.729 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(F)cc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409388245 1072739537 /nfs/dbraw/zinc/73/95/37/1072739537.db2.gz VDAKEPCRBLVBDR-CIAFOILYSA-N -1 0 569.452 5.570 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409400482 1072745773 /nfs/dbraw/zinc/74/57/73/1072745773.db2.gz RTWQKWOQJBHKAS-UNOMPAQXSA-N -1 0 572.799 5.450 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(C)cc1 ZINC000409400202 1072746685 /nfs/dbraw/zinc/74/66/85/1072746685.db2.gz QLWJMXXSBQQNHV-MOSHPQCFSA-N -1 0 586.280 5.959 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(F)c1 ZINC000409400078 1072747227 /nfs/dbraw/zinc/74/72/27/1072747227.db2.gz OLVWYIJSGUZBFN-WQRHYEAKSA-N -1 0 576.216 5.400 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409398863 1072751542 /nfs/dbraw/zinc/75/15/42/1072751542.db2.gz FGIDNQCFRWXFCL-YBEGLDIGSA-N -1 0 604.211 5.167 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409401334 1072754281 /nfs/dbraw/zinc/75/42/81/1072754281.db2.gz XBKFXVQVBQHGPW-UNOMPAQXSA-N -1 0 617.250 5.559 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186645 1072761861 /nfs/dbraw/zinc/76/18/61/1072761861.db2.gz FZDZCTBRTUBVBR-KEBDBYFISA-N -1 0 590.655 6.110 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)[N-]C1=S ZINC000409184241 1072778626 /nfs/dbraw/zinc/77/86/26/1072778626.db2.gz JMYULLUMBOZFTL-FYJGNVAPSA-N -1 0 600.332 6.184 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000409401462 1072781111 /nfs/dbraw/zinc/78/11/11/1072781111.db2.gz YPHNYDAOBLKNSB-YVLHZVERSA-N -1 0 501.739 5.282 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183651 1072782321 /nfs/dbraw/zinc/78/23/21/1072782321.db2.gz CTMXCYFOSMAGAT-NFSMCZRPSA-N -1 0 779.507 7.068 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183714 1072782639 /nfs/dbraw/zinc/78/26/39/1072782639.db2.gz DDTVRKGTPASNJG-GGVRFBKHSA-N -1 0 687.572 6.456 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409400938 1072783197 /nfs/dbraw/zinc/78/31/97/1072783197.db2.gz VXIGEPBJZXABLU-ZDLGFXPLSA-N -1 0 518.194 5.796 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000409400810 1072784292 /nfs/dbraw/zinc/78/42/92/1072784292.db2.gz ULKPDIAGUQYCNQ-ZDLGFXPLSA-N -1 0 640.190 5.075 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409181620 1072796115 /nfs/dbraw/zinc/79/61/15/1072796115.db2.gz DVMARVHHTAWNMP-GIDUJCDVSA-N -1 0 502.770 5.111 40 10 KKCBRM COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409410076 1072806828 /nfs/dbraw/zinc/80/68/28/1072806828.db2.gz YMWSFTZWGIEEMP-GRSHGNNSSA-N -1 0 548.220 5.805 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409408426 1072815401 /nfs/dbraw/zinc/81/54/01/1072815401.db2.gz QNABACOITBIJSZ-WQRHYEAKSA-N -1 0 513.775 5.152 40 10 KKCBRM COc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187447 1072824190 /nfs/dbraw/zinc/82/41/90/1072824190.db2.gz QLVCHKGBFMEATB-UHFFFAOYSA-N -1 0 548.551 5.556 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1OCC ZINC000409193312 1072824608 /nfs/dbraw/zinc/82/46/08/1072824608.db2.gz JBCBKGDIZIHCDW-HYARGMPZSA-N -1 0 690.360 6.779 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1OCC ZINC000409192606 1072855792 /nfs/dbraw/zinc/85/57/92/1072855792.db2.gz CUUDJJXRINBACH-XDHOZWIPSA-N -1 0 575.456 5.096 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409191327 1072862533 /nfs/dbraw/zinc/86/25/33/1072862533.db2.gz VQGUCRBYXNGFQD-OEAKJJBVSA-N -1 0 718.972 6.772 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191111 1072865054 /nfs/dbraw/zinc/86/50/54/1072865054.db2.gz SKZCZBNKXVMZOG-BUVRLJJBSA-N -1 0 657.141 5.664 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3OCC)C2=O)cc1OCC ZINC000409190539 1072869185 /nfs/dbraw/zinc/86/91/85/1072869185.db2.gz ZCLMKITZPFBNGM-LDADJPATSA-N -1 0 610.299 5.460 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409190216 1072871682 /nfs/dbraw/zinc/87/16/82/1072871682.db2.gz PXSVYBSNHFXJGA-ZVHZXABRSA-N -1 0 627.521 6.821 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1OCC ZINC000409189849 1072874367 /nfs/dbraw/zinc/87/43/67/1072874367.db2.gz UFKSIMYQTXYDJV-CIAFOILYSA-N -1 0 690.360 6.779 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000409189402 1072877238 /nfs/dbraw/zinc/87/72/38/1072877238.db2.gz KQSJLMNHBPYDJT-YZSQISJMSA-N -1 0 528.605 5.424 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189131 1072879618 /nfs/dbraw/zinc/87/96/18/1072879618.db2.gz DCXUYQCMQJKXIU-YDZHTSKRSA-N -1 0 688.490 5.867 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409188181 1072883601 /nfs/dbraw/zinc/88/36/01/1072883601.db2.gz BOIPNAVJCSVKIB-OEAKJJBVSA-N -1 0 567.013 5.908 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409188062 1072884671 /nfs/dbraw/zinc/88/46/71/1072884671.db2.gz FOUODUBNGCLAPM-JVWAILMASA-N -1 0 673.560 7.039 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409203262 1072911081 /nfs/dbraw/zinc/91/10/81/1072911081.db2.gz VBPYGZQTUNNRQS-MTJSOVHGSA-N -1 0 509.971 5.121 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226510 1072973643 /nfs/dbraw/zinc/97/36/43/1072973643.db2.gz UAYFXJYGFJUNJP-DJKKODMXSA-N -1 0 633.282 5.757 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226474 1072974645 /nfs/dbraw/zinc/97/46/45/1072974645.db2.gz UCFCWNQWXAEGSH-CVKSISIWSA-N -1 0 737.934 6.216 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409226322 1072975008 /nfs/dbraw/zinc/97/50/08/1072975008.db2.gz UZJXMSUHBYONMD-UFFVCSGVSA-N -1 0 527.961 5.260 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226056 1072976606 /nfs/dbraw/zinc/97/66/06/1072976606.db2.gz RPGKAZNBHXDLOA-VCHYOVAHSA-N -1 0 588.831 5.648 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409225898 1072977039 /nfs/dbraw/zinc/97/70/39/1072977039.db2.gz SJQJGJNBHJUNKT-CAOOACKPSA-N -1 0 593.250 6.293 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409225399 1072978274 /nfs/dbraw/zinc/97/82/74/1072978274.db2.gz QEPHUHWHYMGMKG-YBFXNURJSA-N -1 0 568.413 5.303 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409224562 1072983307 /nfs/dbraw/zinc/98/33/07/1072983307.db2.gz KZBVNBWUPJLIIV-CIAFOILYSA-N -1 0 672.916 5.592 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409223683 1072986812 /nfs/dbraw/zinc/98/68/12/1072986812.db2.gz HPDQSADXTDHVNG-KGENOOAVSA-N -1 0 547.995 5.039 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409223021 1072989686 /nfs/dbraw/zinc/98/96/86/1072989686.db2.gz FBCCLIBRILTNAD-OVVQPSECSA-N -1 0 582.012 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409222171 1072994623 /nfs/dbraw/zinc/99/46/23/1072994623.db2.gz AMPCPFBBJVAOCS-HYARGMPZSA-N -1 0 642.890 5.584 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222109 1072996170 /nfs/dbraw/zinc/99/61/70/1072996170.db2.gz BEXHSJOPJRZRAU-KEBDBYFISA-N -1 0 647.309 6.147 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409221629 1072997986 /nfs/dbraw/zinc/99/79/86/1072997986.db2.gz UAESGRIHNRAIRF-YBFXNURJSA-N -1 0 559.791 5.327 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000409220117 1073005872 /nfs/dbraw/zinc/00/58/72/1073005872.db2.gz YIFXVULXOZLETB-VXLYETTFSA-N -1 0 658.259 5.112 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409220003 1073006392 /nfs/dbraw/zinc/00/63/92/1073006392.db2.gz XIUPVTFZVNXSDR-RGVLZGJSSA-N -1 0 544.778 5.331 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)cc1OCC ZINC000409219955 1073006424 /nfs/dbraw/zinc/00/64/24/1073006424.db2.gz WVQYCBBNKDNJKP-JLPGSUDCSA-N -1 0 578.021 5.211 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219796 1073006772 /nfs/dbraw/zinc/00/67/72/1073006772.db2.gz UVKKHIDLZIPYHZ-UDWIEESQSA-N -1 0 645.837 5.027 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219913 1073007347 /nfs/dbraw/zinc/00/73/47/1073007347.db2.gz RQKAZQIWFWAORD-RGVLZGJSSA-N -1 0 572.376 5.215 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409219234 1073008787 /nfs/dbraw/zinc/00/87/87/1073008787.db2.gz OPYMVCIBEHSISB-OEAKJJBVSA-N -1 0 562.420 5.058 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409219317 1073009208 /nfs/dbraw/zinc/00/92/08/1073009208.db2.gz LEEJMJIDIONPLZ-MTDXEUNCSA-N -1 0 640.490 6.020 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000409217920 1073013852 /nfs/dbraw/zinc/01/38/52/1073013852.db2.gz FTCJXAWJFNGQOH-QGMBQPNBSA-N -1 0 593.250 6.293 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409228920 1073024378 /nfs/dbraw/zinc/02/43/78/1073024378.db2.gz HFCCHXIPPNWBCU-OEAKJJBVSA-N -1 0 536.495 6.120 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409228413 1073026545 /nfs/dbraw/zinc/02/65/45/1073026545.db2.gz YQECLRCSQURDGS-MHWRWJLKSA-N -1 0 521.860 5.358 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409228443 1073027127 /nfs/dbraw/zinc/02/71/27/1073027127.db2.gz YWGCPGYDRDPCFB-IGVUGNCQSA-N -1 0 523.836 5.120 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409236285 1073040408 /nfs/dbraw/zinc/04/04/08/1073040408.db2.gz GBWUWIMLOCIXOK-OVCLIPMQSA-N -1 0 513.335 5.086 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409235595 1073043291 /nfs/dbraw/zinc/04/32/91/1073043291.db2.gz CKWNANLRRSCXFR-JFLMPSFJSA-N -1 0 593.602 6.662 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409235139 1073045686 /nfs/dbraw/zinc/04/56/86/1073045686.db2.gz NXFHWUDHMJDOGW-WSDLNYQXSA-N -1 0 563.466 5.727 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409234850 1073046991 /nfs/dbraw/zinc/04/69/91/1073046991.db2.gz NHMHQQAYDLYJPM-WOJGMQOQSA-N -1 0 512.404 5.135 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409234691 1073047913 /nfs/dbraw/zinc/04/79/13/1073047913.db2.gz XGDOTQRIRLECNB-XDHOZWIPSA-N -1 0 526.818 5.793 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409234560 1073048694 /nfs/dbraw/zinc/04/86/94/1073048694.db2.gz LOWHTTJNDATZSZ-MFKUBSTISA-N -1 0 514.050 6.298 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)c(Br)c1 ZINC000409233499 1073055720 /nfs/dbraw/zinc/05/57/20/1073055720.db2.gz SOPLOZSOOHWONE-BOPFTXTBSA-N -1 0 515.816 5.811 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409233038 1073057949 /nfs/dbraw/zinc/05/79/49/1073057949.db2.gz UGKHCKMBTNNXDU-BUVRLJJBSA-N -1 0 525.596 6.287 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)ccc4C)C3=O)c1C)CCCC2 ZINC000409232466 1073061188 /nfs/dbraw/zinc/06/11/88/1073061188.db2.gz IEFZMMDKJMISMD-PXLXIMEGSA-N -1 0 561.729 5.659 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409232288 1073062207 /nfs/dbraw/zinc/06/22/07/1073062207.db2.gz PWNKAACXDJFQLI-HFTWOUSFSA-N -1 0 539.660 6.951 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c1C)CCCC2 ZINC000409231482 1073064692 /nfs/dbraw/zinc/06/46/92/1073064692.db2.gz KRTZMGAEYUSILV-FYJGNVAPSA-N -1 0 601.672 6.061 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409230244 1073071035 /nfs/dbraw/zinc/07/10/35/1073071035.db2.gz XSFYTVNGFLNJRW-RWPZCVJISA-N -1 0 568.117 7.190 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)cc1 ZINC000409246862 1073073189 /nfs/dbraw/zinc/07/31/89/1073073189.db2.gz FNAFOHWNRWXPHC-BUVRLJJBSA-N -1 0 522.630 5.037 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409246877 1073073363 /nfs/dbraw/zinc/07/33/63/1073073363.db2.gz KLWNZDFHXRGAMJ-LFVJCYFKSA-N -1 0 589.098 6.638 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409246151 1073078727 /nfs/dbraw/zinc/07/87/27/1073078727.db2.gz FTKAXRUBNUTBQN-RGVLZGJSSA-N -1 0 508.987 5.104 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409245971 1073079692 /nfs/dbraw/zinc/07/96/92/1073079692.db2.gz BTHQBZFTSHTYBU-BUVRLJJBSA-N -1 0 540.611 5.790 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000409245858 1073081029 /nfs/dbraw/zinc/08/10/29/1073081029.db2.gz ZYLPGWOVUIEWOW-YDZHTSKRSA-N -1 0 500.023 5.791 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409244787 1073086850 /nfs/dbraw/zinc/08/68/50/1073086850.db2.gz ISMNWTZGFPWSTG-FYJGNVAPSA-N -1 0 504.373 5.971 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)[N-]C1=S ZINC000409244048 1073089975 /nfs/dbraw/zinc/08/99/75/1073089975.db2.gz WUGDJLRMUSYABJ-HMAPJEAMSA-N -1 0 548.437 5.731 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)c1 ZINC000409243391 1073093227 /nfs/dbraw/zinc/09/32/27/1073093227.db2.gz YFRQVCUIRNKYDS-HYARGMPZSA-N -1 0 526.980 5.217 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1OC(C)C ZINC000409243203 1073093601 /nfs/dbraw/zinc/09/36/01/1073093601.db2.gz QHNJDCAZRHIIQR-YBFXNURJSA-N -1 0 578.472 5.432 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c(Br)c1 ZINC000409242617 1073096358 /nfs/dbraw/zinc/09/63/58/1073096358.db2.gz XCXLJBVCXZYVCL-XNTDXEJSSA-N -1 0 520.166 5.991 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409242224 1073098149 /nfs/dbraw/zinc/09/81/49/1073098149.db2.gz VUDKZXCFOVZLOP-JFLMPSFJSA-N -1 0 654.508 7.286 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409242255 1073098308 /nfs/dbraw/zinc/09/83/08/1073098308.db2.gz WJUVPDKGKIOUNX-LICLKQGHSA-N -1 0 530.781 5.624 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409242093 1073098741 /nfs/dbraw/zinc/09/87/41/1073098741.db2.gz LSMPFAAMSZAXDH-UNOMPAQXSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409241418 1073101242 /nfs/dbraw/zinc/10/12/42/1073101242.db2.gz XLUILCRIFLJXAF-PDGQHHTCSA-N -1 0 561.832 5.183 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OC(C)C ZINC000409241085 1073104711 /nfs/dbraw/zinc/10/47/11/1073104711.db2.gz XAHKIGKZPMBPTH-VIZOYTHASA-N -1 0 543.361 5.095 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409240018 1073110806 /nfs/dbraw/zinc/11/08/06/1073110806.db2.gz NWVZEYUZBXECIT-CIAFOILYSA-N -1 0 512.462 6.356 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409238537 1073119312 /nfs/dbraw/zinc/11/93/12/1073119312.db2.gz KZGFMJFWIKRJSA-LDADJPATSA-N -1 0 540.859 6.481 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409238020 1073124008 /nfs/dbraw/zinc/12/40/08/1073124008.db2.gz JXQGBVIUGUUDSS-LDADJPATSA-N -1 0 520.330 5.090 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409237821 1073124411 /nfs/dbraw/zinc/12/44/11/1073124411.db2.gz JVKLEKJGKPEMBC-MHWRWJLKSA-N -1 0 521.860 5.358 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409251370 1073128148 /nfs/dbraw/zinc/12/81/48/1073128148.db2.gz PSPGKRCKHPXMAI-DIBXZPPDSA-N -1 0 510.553 5.873 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1 ZINC000409251443 1073128785 /nfs/dbraw/zinc/12/87/85/1073128785.db2.gz PYLWWODZXQXDCG-HYARGMPZSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1Cl ZINC000409251261 1073129390 /nfs/dbraw/zinc/12/93/90/1073129390.db2.gz PBXAIZBPDVAYJE-VXLYETTFSA-N -1 0 603.256 5.748 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409251287 1073130023 /nfs/dbraw/zinc/13/00/23/1073130023.db2.gz PGBIRRVCESRKAM-VXLYETTFSA-N -1 0 659.864 5.254 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409251109 1073131265 /nfs/dbraw/zinc/13/12/65/1073131265.db2.gz OLCOTEUPBVCHOJ-FYJGNVAPSA-N -1 0 701.368 6.083 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 ZINC000409250947 1073131928 /nfs/dbraw/zinc/13/19/28/1073131928.db2.gz NTYANEBKBPCJGM-ODLFYWEKSA-N -1 0 617.283 6.057 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1OCC ZINC000409250644 1073133928 /nfs/dbraw/zinc/13/39/28/1073133928.db2.gz NHZKODFHEBIMEL-XQNSMLJCSA-N -1 0 622.472 5.321 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1OCC ZINC000409250436 1073136447 /nfs/dbraw/zinc/13/64/47/1073136447.db2.gz LQOJNTVWHMWPQI-YZSQISJMSA-N -1 0 571.630 5.175 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409250067 1073137474 /nfs/dbraw/zinc/13/74/74/1073137474.db2.gz LFMRKPGKCOUQCB-SRZZPIQSSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409249830 1073140170 /nfs/dbraw/zinc/14/01/70/1073140170.db2.gz PAQJUUCXMOIDKR-WOJGMQOQSA-N -1 0 561.832 5.183 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000409249643 1073140818 /nfs/dbraw/zinc/14/08/18/1073140818.db2.gz KDMRFOUTWBSQMB-FYJGNVAPSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409249120 1073144771 /nfs/dbraw/zinc/14/47/71/1073144771.db2.gz GPABWODCUGLVQD-XSFVSMFZSA-N -1 0 598.837 5.185 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409248949 1073145897 /nfs/dbraw/zinc/14/58/97/1073145897.db2.gz GBNKTRHZLIYNPO-YUMHPJSZSA-N -1 0 719.386 6.783 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1C ZINC000409248586 1073146957 /nfs/dbraw/zinc/14/69/57/1073146957.db2.gz DVZNWYOZSHUJIW-QRQIAZFYSA-N -1 0 610.066 6.220 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OCC ZINC000409248457 1073147915 /nfs/dbraw/zinc/14/79/15/1073147915.db2.gz DIXANKZQBNTFNI-BUVRLJJBSA-N -1 0 694.579 6.336 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1C ZINC000409247778 1073152972 /nfs/dbraw/zinc/15/29/72/1073152972.db2.gz BEEMPCSFJUQGPI-JMIUGGIZSA-N -1 0 643.288 5.218 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4cccc(C)c4C)c3)C2=O)cc1OCC ZINC000409256672 1073155724 /nfs/dbraw/zinc/15/57/24/1073155724.db2.gz MWYGZHTWPNVDEX-KOEQRZSOSA-N -1 0 571.630 5.175 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409255340 1073156692 /nfs/dbraw/zinc/15/66/92/1073156692.db2.gz JPTLSNVWJNWMBY-OEAKJJBVSA-N -1 0 715.395 6.391 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1 ZINC000409257176 1073156963 /nfs/dbraw/zinc/15/69/63/1073156963.db2.gz RJXRDFBXLOYPOP-OEAKJJBVSA-N -1 0 683.499 5.389 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c1C ZINC000409256901 1073158667 /nfs/dbraw/zinc/15/86/67/1073158667.db2.gz NZQJQMUYTBGFMT-GRSHGNNSSA-N -1 0 643.288 5.218 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000409256828 1073160144 /nfs/dbraw/zinc/16/01/44/1073160144.db2.gz QEIIVLSTCNMCTK-JMIUGGIZSA-N -1 0 735.813 6.655 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)cc1OC ZINC000409256484 1073160621 /nfs/dbraw/zinc/16/06/21/1073160621.db2.gz OUAHGXFTNIXISE-BKUYFWCQSA-N -1 0 687.341 5.693 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000409256379 1073161463 /nfs/dbraw/zinc/16/14/63/1073161463.db2.gz OMPHFQIXVGVKQH-RGVLZGJSSA-N -1 0 645.279 5.651 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1C ZINC000409256176 1073161843 /nfs/dbraw/zinc/16/18/43/1073161843.db2.gz OEADAMYIDUYHNO-USHMODERSA-N -1 0 575.621 5.566 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409256422 1073161859 /nfs/dbraw/zinc/16/18/59/1073161859.db2.gz LBWNXCQXBBLPLR-VXLYETTFSA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409255858 1073163874 /nfs/dbraw/zinc/16/38/74/1073163874.db2.gz LMGQYEAHOAXWTB-BKUYFWCQSA-N -1 0 592.446 5.149 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000409255818 1073165763 /nfs/dbraw/zinc/16/57/63/1073165763.db2.gz IYHQPVXUAUMMIE-UUYOSTAYSA-N -1 0 641.316 5.821 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000409255492 1073167389 /nfs/dbraw/zinc/16/73/89/1073167389.db2.gz LBUHSGMXTNIOCL-RGVLZGJSSA-N -1 0 586.801 5.234 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409254793 1073171011 /nfs/dbraw/zinc/17/10/11/1073171011.db2.gz ITEAAQQDYRFYFQ-YUMHPJSZSA-N -1 0 640.092 6.228 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254443 1073173103 /nfs/dbraw/zinc/17/31/03/1073173103.db2.gz ZEVOFNSLBGQENA-FBHDLOMBSA-N -1 0 626.891 5.720 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OC ZINC000409254231 1073175793 /nfs/dbraw/zinc/17/57/93/1073175793.db2.gz YMDGPKNYOGLJLD-UCQKPKSFSA-N -1 0 636.101 5.837 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409254233 1073175985 /nfs/dbraw/zinc/17/59/85/1073175985.db2.gz HXEAXKKPURYVIZ-SRZZPIQSSA-N -1 0 704.315 5.363 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409254003 1073176396 /nfs/dbraw/zinc/17/63/96/1073176396.db2.gz WDSDADHOLCXYEL-WOJGMQOQSA-N -1 0 589.229 5.440 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409253877 1073178065 /nfs/dbraw/zinc/17/80/65/1073178065.db2.gz VTLJHFXJSVBZMD-MTJSOVHGSA-N -1 0 637.443 5.057 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409253607 1073180180 /nfs/dbraw/zinc/18/01/80/1073180180.db2.gz XIXLKLPHNJATHM-UUYOSTAYSA-N -1 0 653.473 5.217 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1Cl ZINC000409253382 1073180666 /nfs/dbraw/zinc/18/06/66/1073180666.db2.gz FWJFBJJJHDEWRS-VXLYETTFSA-N -1 0 647.707 5.857 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)C1=O ZINC000409253320 1073182059 /nfs/dbraw/zinc/18/20/59/1073182059.db2.gz FNLHYSZQBMDYQZ-WJDWOHSUSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 ZINC000409253133 1073183036 /nfs/dbraw/zinc/18/30/36/1073183036.db2.gz DUEKAYZJQWSBCM-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000409252740 1073186031 /nfs/dbraw/zinc/18/60/31/1073186031.db2.gz SNWVHXREOOISQW-RGVLZGJSSA-N -1 0 663.706 5.558 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409252594 1073187007 /nfs/dbraw/zinc/18/70/07/1073187007.db2.gz UCRFHIOMPSACTC-HMAPJEAMSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1Cl ZINC000409252228 1073188307 /nfs/dbraw/zinc/18/83/07/1073188307.db2.gz CVDBASHNFMBFGN-OCKHKDLRSA-N -1 0 613.808 5.003 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409252115 1073189141 /nfs/dbraw/zinc/18/91/41/1073189141.db2.gz SPQSUDGTIBOMDQ-MTJSOVHGSA-N -1 0 685.325 5.299 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000409252016 1073190509 /nfs/dbraw/zinc/19/05/09/1073190509.db2.gz BDGOCFPZTSEGHH-XKZIYDEJSA-N -1 0 582.838 5.403 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409251560 1073193193 /nfs/dbraw/zinc/19/31/93/1073193193.db2.gz PQCDTWXVGVOKGW-SXGWCWSVSA-N -1 0 623.276 6.383 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OC ZINC000409262459 1073193433 /nfs/dbraw/zinc/19/34/33/1073193433.db2.gz DYCUUEAECDCNJI-UCQKPKSFSA-N -1 0 636.101 5.837 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OCC ZINC000409267286 1073196093 /nfs/dbraw/zinc/19/60/93/1073196093.db2.gz MZYVUBGCBPYOPJ-RCCKNPSSSA-N -1 0 656.917 5.974 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409267108 1073196123 /nfs/dbraw/zinc/19/61/23/1073196123.db2.gz SRNNNUXHINMQPT-ZDLGFXPLSA-N -1 0 649.748 5.714 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4Cl)c3)C2=O)cc1OCC ZINC000409266848 1073198470 /nfs/dbraw/zinc/19/84/70/1073198470.db2.gz YTDPRWLYELRRLJ-CJLVFECKSA-N -1 0 578.021 5.211 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1Cl ZINC000409265932 1073204026 /nfs/dbraw/zinc/20/40/26/1073204026.db2.gz VCMBKHFVTOKCLO-DJKKODMXSA-N -1 0 675.761 6.474 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265654 1073205633 /nfs/dbraw/zinc/20/56/33/1073205633.db2.gz NGMSAUCZFBHZLY-JJFYIABZSA-N -1 0 687.918 5.952 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409265495 1073206018 /nfs/dbraw/zinc/20/60/18/1073206018.db2.gz IQNHCQJJRMJKLY-OCKHKDLRSA-N -1 0 692.704 5.766 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c(C)c1 ZINC000409265570 1073206782 /nfs/dbraw/zinc/20/67/82/1073206782.db2.gz IXKNYVVAMUGJIO-RGVLZGJSSA-N -1 0 596.865 5.712 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OCC ZINC000409265395 1073207229 /nfs/dbraw/zinc/20/72/29/1073207229.db2.gz IAAUVTQRHMESMD-OEAKJJBVSA-N -1 0 729.422 6.700 40 10 KKCBRM COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)cc1 ZINC000033332453 1073207520 /nfs/dbraw/zinc/20/75/20/1073207520.db2.gz ZHYZRPXHMPDQDZ-JCMHNJIXSA-N -1 0 504.011 5.583 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033379267 1073207940 /nfs/dbraw/zinc/20/79/40/1073207940.db2.gz WBBUNSPTKLUWPN-RGVLZGJSSA-N -1 0 503.933 6.438 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000409264711 1073211323 /nfs/dbraw/zinc/21/13/23/1073211323.db2.gz RISSYASVUCYBRP-MTJSOVHGSA-N -1 0 612.466 5.783 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000409264511 1073211669 /nfs/dbraw/zinc/21/16/69/1073211669.db2.gz KQIJYRSZUGASFL-DJKKODMXSA-N -1 0 665.697 5.996 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409264233 1073213129 /nfs/dbraw/zinc/21/31/29/1073213129.db2.gz PWPWVIZQQYNGRY-PCLIKHOPSA-N -1 0 650.526 5.937 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409263951 1073215187 /nfs/dbraw/zinc/21/51/87/1073215187.db2.gz JPYDJUVKCQKJOO-UNOMPAQXSA-N -1 0 582.440 5.693 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000409263624 1073216654 /nfs/dbraw/zinc/21/66/54/1073216654.db2.gz NEFVPNRODCXMNJ-SRZZPIQSSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1C ZINC000409263701 1073217059 /nfs/dbraw/zinc/21/70/59/1073217059.db2.gz NTOYBBDQXHQZRR-GRSHGNNSSA-N -1 0 586.859 6.256 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)c1C ZINC000409263554 1073217682 /nfs/dbraw/zinc/21/76/82/1073217682.db2.gz HQIRUCXCAVRJBM-VXLYETTFSA-N -1 0 645.279 5.651 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409263335 1073218089 /nfs/dbraw/zinc/21/80/89/1073218089.db2.gz MDDVXWZEKBUMDI-YVLHZVERSA-N -1 0 558.805 5.639 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409262727 1073219972 /nfs/dbraw/zinc/21/99/72/1073219972.db2.gz IXTFYKOPMWVIBI-ODLFYWEKSA-N -1 0 673.891 5.562 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409262574 1073220740 /nfs/dbraw/zinc/22/07/40/1073220740.db2.gz IXTVHCHXBYXJDX-SXGWCWSVSA-N -1 0 649.679 5.255 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1C ZINC000409262648 1073221066 /nfs/dbraw/zinc/22/10/66/1073221066.db2.gz JHVJRBLFDXQXNR-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1C ZINC000409262703 1073221555 /nfs/dbraw/zinc/22/15/55/1073221555.db2.gz IRAQBURTCUJZCP-NDENLUEZSA-N -1 0 627.289 5.512 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409262363 1073222246 /nfs/dbraw/zinc/22/22/46/1073222246.db2.gz IDQKWQHQXBQZPR-JAIQZWGSSA-N -1 0 612.864 5.412 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409262043 1073223788 /nfs/dbraw/zinc/22/37/88/1073223788.db2.gz CFZARJMMXKTSAR-XSFVSMFZSA-N -1 0 656.917 5.974 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000409261622 1073226149 /nfs/dbraw/zinc/22/61/49/1073226149.db2.gz CAUKFNHFRDHNLQ-JAIQZWGSSA-N -1 0 643.357 5.677 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261677 1073226586 /nfs/dbraw/zinc/22/65/86/1073226586.db2.gz CRQJWURYQJBMAX-JJFYIABZSA-N -1 0 640.918 6.110 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409261269 1073227621 /nfs/dbraw/zinc/22/76/21/1073227621.db2.gz CCZSMOFRDZZVBG-GZTJUZNOSA-N -1 0 589.229 5.440 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409261010 1073229546 /nfs/dbraw/zinc/22/95/46/1073229546.db2.gz ZTBDHWNLWPAAIQ-WQRHYEAKSA-N -1 0 615.303 5.060 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261014 1073229580 /nfs/dbraw/zinc/22/95/80/1073229580.db2.gz ZWKGHUUMMSOBBX-XKZIYDEJSA-N -1 0 608.514 5.313 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409261071 1073230451 /nfs/dbraw/zinc/23/04/51/1073230451.db2.gz AVTCGEAGHVWMAI-RQZCQDPDSA-N -1 0 680.282 5.599 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000409260824 1073230473 /nfs/dbraw/zinc/23/04/73/1073230473.db2.gz XDLKJFBNGWFVOC-VCHYOVAHSA-N -1 0 602.858 6.038 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409260404 1073233403 /nfs/dbraw/zinc/23/34/03/1073233403.db2.gz PWAUJFNQQADYFF-KEBDBYFISA-N -1 0 647.309 6.147 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409259699 1073237863 /nfs/dbraw/zinc/23/78/63/1073237863.db2.gz CSFLMVGGNJAMSV-UNOMPAQXSA-N -1 0 568.413 5.384 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409259635 1073239388 /nfs/dbraw/zinc/23/93/88/1073239388.db2.gz BTHHSGQDJVNQAE-UYRXBGFRSA-N -1 0 554.386 5.076 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409259235 1073240152 /nfs/dbraw/zinc/24/01/52/1073240152.db2.gz YECXMZBAVRNHTI-SRZZPIQSSA-N -1 0 687.918 5.952 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409259229 1073240197 /nfs/dbraw/zinc/24/01/97/1073240197.db2.gz XJQHCUBOXWQQBT-HAHDFKILSA-N -1 0 578.021 5.130 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1Cl ZINC000409259276 1073240642 /nfs/dbraw/zinc/24/06/42/1073240642.db2.gz XYLIDNLCWUYATC-LICLKQGHSA-N -1 0 712.576 6.311 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409259200 1073241740 /nfs/dbraw/zinc/24/17/40/1073241740.db2.gz XXTXGMRIGTUTRO-QRVIBDJDSA-N -1 0 576.049 5.656 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c(C)c1 ZINC000409258936 1073242295 /nfs/dbraw/zinc/24/22/95/1073242295.db2.gz WOHGJHMIVICEEV-GRSHGNNSSA-N -1 0 643.288 5.218 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258827 1073243087 /nfs/dbraw/zinc/24/30/87/1073243087.db2.gz VPDYMXDENJXDLB-UFWORHAWSA-N -1 0 633.282 5.757 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258895 1073243347 /nfs/dbraw/zinc/24/33/47/1073243347.db2.gz WAGADHBAKYHRLH-GRSHGNNSSA-N -1 0 661.905 5.110 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1OC ZINC000409258640 1073243891 /nfs/dbraw/zinc/24/38/91/1073243891.db2.gz VATPRYOOEIPZLM-HMAPJEAMSA-N -1 0 666.525 5.638 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c1 ZINC000409258708 1073244341 /nfs/dbraw/zinc/24/43/41/1073244341.db2.gz ZIHLPNYZEQBYQB-ZDLGFXPLSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1Cl ZINC000409258499 1073244654 /nfs/dbraw/zinc/24/46/54/1073244654.db2.gz XVPVXEVGAHDFHW-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c(C)c1 ZINC000409258482 1073244768 /nfs/dbraw/zinc/24/47/68/1073244768.db2.gz XTDVITCGEWHMHL-DJKKODMXSA-N -1 0 586.859 6.256 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409258289 1073247123 /nfs/dbraw/zinc/24/71/23/1073247123.db2.gz VWCOGWVMONCLLQ-QRVIBDJDSA-N -1 0 576.049 5.656 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OCC ZINC000409258082 1073247612 /nfs/dbraw/zinc/24/76/12/1073247612.db2.gz WIKFZZVLJHYISF-JJIBRWJFSA-N -1 0 571.630 5.175 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409272750 1073253321 /nfs/dbraw/zinc/25/33/21/1073253321.db2.gz SDNBWIMWWDSQCL-UFWORHAWSA-N -1 0 680.282 5.599 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1OC ZINC000409271995 1073259261 /nfs/dbraw/zinc/25/92/61/1073259261.db2.gz XGKPTLFLUUOKLQ-MTJSOVHGSA-N -1 0 626.493 6.092 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409270920 1073266483 /nfs/dbraw/zinc/26/64/83/1073266483.db2.gz RYGPVFJBOZCVKE-ODLFYWEKSA-N -1 0 647.707 5.857 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409270648 1073268779 /nfs/dbraw/zinc/26/87/79/1073268779.db2.gz GRAVCTSNABQESC-HZHRSRAPSA-N -1 0 727.552 5.870 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1 ZINC000409269895 1073273280 /nfs/dbraw/zinc/27/32/80/1073273280.db2.gz ATRAKNCZJIEUCU-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)o1 ZINC000409269802 1073274130 /nfs/dbraw/zinc/27/41/30/1073274130.db2.gz DYHYIBMGCPUPIQ-OYKKKHCWSA-N -1 0 512.543 5.781 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409269395 1073277432 /nfs/dbraw/zinc/27/74/32/1073277432.db2.gz IROUJWBOUPLICL-KEBDBYFISA-N -1 0 677.854 5.475 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409269373 1073277516 /nfs/dbraw/zinc/27/75/16/1073277516.db2.gz IBPPCOQVNUWECY-MTJSOVHGSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409268675 1073283295 /nfs/dbraw/zinc/28/32/95/1073283295.db2.gz XKNVVYPGKDBHEO-CIAFOILYSA-N -1 0 671.342 5.911 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409268420 1073283624 /nfs/dbraw/zinc/28/36/24/1073283624.db2.gz SYJJKCSUHJMOEJ-LPYMAVHISA-N -1 0 562.022 5.348 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409268267 1073284358 /nfs/dbraw/zinc/28/43/58/1073284358.db2.gz RTHWTECAAQMJKN-JAIQZWGSSA-N -1 0 584.481 5.549 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409268408 1073285221 /nfs/dbraw/zinc/28/52/21/1073285221.db2.gz ZOUVPLUPCDUXBD-KEBDBYFISA-N -1 0 691.760 6.256 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c(C)c1 ZINC000409268259 1073286198 /nfs/dbraw/zinc/28/61/98/1073286198.db2.gz YQMAZKPRNHVFGZ-VXLYETTFSA-N -1 0 617.283 6.057 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1C ZINC000409267698 1073287820 /nfs/dbraw/zinc/28/78/20/1073287820.db2.gz VVSRWCFZEZHARS-ZDLGFXPLSA-N -1 0 586.859 6.256 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409267655 1073289138 /nfs/dbraw/zinc/28/91/38/1073289138.db2.gz WSQBHVHSGYLTKS-RGVLZGJSSA-N -1 0 582.440 5.693 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 ZINC000409275202 1073300993 /nfs/dbraw/zinc/30/09/93/1073300993.db2.gz SMJKMZMZAOASQY-JMIUGGIZSA-N -1 0 512.883 5.126 40 10 KKCBRM Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408634603 195481097 /nfs/dbraw/zinc/48/10/97/195481097.db2.gz SGAVTLHAHQJLEP-ONUIUJJFSA-N -1 0 528.033 7.682 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408850398 195487916 /nfs/dbraw/zinc/48/79/16/195487916.db2.gz MZHRFHQSFJIXPN-STBIYBPSSA-N -1 0 537.591 6.095 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408851023 195489550 /nfs/dbraw/zinc/48/95/50/195489550.db2.gz UPHNSZKDTZXRAP-MKMNVTDBSA-N -1 0 685.177 6.657 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000409050140 195498440 /nfs/dbraw/zinc/49/84/40/195498440.db2.gz ZIZHGTAKMQIWIW-VCHYOVAHSA-N -1 0 604.226 5.605 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409231536 195507483 /nfs/dbraw/zinc/50/74/83/195507483.db2.gz JREDJRQRWYOVGP-CEUNXORHSA-N -1 0 519.670 6.716 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000001294990 551637349 /nfs/dbraw/zinc/63/73/49/551637349.db2.gz VOPYBQLEOOUTHG-FYJGNVAPSA-N -1 0 518.342 5.462 40 10 KKCBRM O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008820155 553155104 /nfs/dbraw/zinc/15/51/04/553155104.db2.gz JESPJVWWUFEYIO-UNOMPAQXSA-N -1 0 506.005 5.354 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1 ZINC000016689194 553573461 /nfs/dbraw/zinc/57/34/61/553573461.db2.gz UOCFHBKRZPTRPW-MRUIKISQSA-N -1 0 528.649 5.731 40 10 KKCBRM CCOC(=O)c1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000020289041 553633919 /nfs/dbraw/zinc/63/39/19/553633919.db2.gz WFFOBWLDTLCTAM-ULJHMMPZSA-N -1 0 512.591 5.619 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000083293514 553676436 /nfs/dbraw/zinc/67/64/36/553676436.db2.gz MNXWQUWMKAFUGD-NDENLUEZSA-N -1 0 511.347 5.027 40 10 KKCBRM COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 ZINC000026786834 553821284 /nfs/dbraw/zinc/82/12/84/553821284.db2.gz MIUVGQDXMFXWPI-UHFFFAOYSA-N -1 0 510.033 5.120 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1 ZINC000097961906 553881375 /nfs/dbraw/zinc/88/13/75/553881375.db2.gz XUPVJTITJUKIGN-VFCFBJKWSA-N -1 0 545.035 7.352 40 10 KKCBRM COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000097964524 553899185 /nfs/dbraw/zinc/89/91/85/553899185.db2.gz YKNXZDZPHMJHKF-XSFVSMFZSA-N -1 0 536.968 5.630 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1 ZINC000097965009 553902234 /nfs/dbraw/zinc/90/22/34/553902234.db2.gz GLDRAUWNTIPXPN-XKZIYDEJSA-N -1 0 644.418 5.282 40 10 KKCBRM CCCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000097965021 553902485 /nfs/dbraw/zinc/90/24/85/553902485.db2.gz DMEDTEFHBIELPM-QNGOZBTKSA-N -1 0 537.366 6.173 40 10 KKCBRM CC(C)(C)c1ccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000097965024 553902529 /nfs/dbraw/zinc/90/25/29/553902529.db2.gz IMASPOZGASPTMJ-DIBXZPPDSA-N -1 0 539.607 7.054 40 10 KKCBRM CC(=O)Nc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000097965023 553902554 /nfs/dbraw/zinc/90/25/54/553902554.db2.gz SLIRVHJIZFACLI-XYGWBWBKSA-N -1 0 526.524 5.325 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100227755 554253917 /nfs/dbraw/zinc/25/39/17/554253917.db2.gz RIOPDWPKURCUKH-NDENLUEZSA-N -1 0 618.880 5.754 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100230089 554255718 /nfs/dbraw/zinc/25/57/18/554255718.db2.gz SVQGIVRTJDAYFZ-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100230315 554256112 /nfs/dbraw/zinc/25/61/12/554256112.db2.gz XKZMJUSUBARQIH-MFKUBSTISA-N -1 0 601.453 6.255 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100230292 554256230 /nfs/dbraw/zinc/25/62/30/554256230.db2.gz RFCVWCTZPOBMNV-UDWIEESQSA-N -1 0 585.838 5.755 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000100241232 554260209 /nfs/dbraw/zinc/26/02/09/554260209.db2.gz OXYGKCROXHENJX-XKZIYDEJSA-N -1 0 565.420 5.410 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100311365 554301022 /nfs/dbraw/zinc/30/10/22/554301022.db2.gz AQIMBMWHIAMUHD-VXLYETTFSA-N -1 0 592.298 6.175 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1 ZINC000058849447 554369013 /nfs/dbraw/zinc/36/90/13/554369013.db2.gz DWILTGABXIBUIL-LZCXECNNSA-N -1 0 507.568 5.239 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1 ZINC000058849458 554369116 /nfs/dbraw/zinc/36/91/16/554369116.db2.gz QDJJMEOOOBYRCE-CTVOUCONSA-N -1 0 518.679 6.629 40 10 KKCBRM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849946 554369489 /nfs/dbraw/zinc/36/94/89/554369489.db2.gz IISRYIPPZXIETG-CLCZQPDDSA-N -1 0 502.636 6.310 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)c1 ZINC000059104104 554379440 /nfs/dbraw/zinc/37/94/40/554379440.db2.gz VIGQMQSSNURACQ-GHRIWEEISA-N -1 0 518.551 5.611 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000059135216 554381173 /nfs/dbraw/zinc/38/11/73/554381173.db2.gz MLWHZGUNYWLIJI-VXLYETTFSA-N -1 0 515.324 6.227 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000059135464 554381452 /nfs/dbraw/zinc/38/14/52/554381452.db2.gz ZXKWYZAFVFOWPL-CIAFOILYSA-N -1 0 508.933 6.272 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000059136292 554382301 /nfs/dbraw/zinc/38/23/01/554382301.db2.gz AXSPUNSKSMXPBP-LDADJPATSA-N -1 0 510.974 6.128 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000059136115 554382382 /nfs/dbraw/zinc/38/23/82/554382382.db2.gz PWXLOIDFXOIJED-WOJGMQOQSA-N -1 0 510.974 6.047 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cccc(Br)c1 ZINC000059859847 554456226 /nfs/dbraw/zinc/45/62/26/554456226.db2.gz RQMAMWSNSRJDMX-FSJBWODESA-N -1 0 505.412 6.424 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OC ZINC000059861317 554456349 /nfs/dbraw/zinc/45/63/49/554456349.db2.gz JJZWLPPRPKYJGW-LSHDLFTRSA-N -1 0 521.013 6.332 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1Cl ZINC000100952614 554537732 /nfs/dbraw/zinc/53/77/32/554537732.db2.gz JQHVCFKKBPYQSL-MTDXEUNCSA-N -1 0 547.010 7.200 40 10 KKCBRM O=C(N/C=C1/C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O)Nc1ccc(Br)c2ccccc12 ZINC000100959032 554541652 /nfs/dbraw/zinc/54/16/52/554541652.db2.gz QXQDIRNOKAWPIM-RGEXLXHISA-N -1 0 529.350 5.044 40 10 KKCBRM O=C([O-])[C@H](CCCCN1C(=O)/C(=C\C=C/c2ccccc2)SC1=S)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000100999894 554552279 /nfs/dbraw/zinc/55/22/79/554552279.db2.gz QGWGWBALGTUEPW-HKQKCKHCSA-N -1 0 606.816 6.525 40 10 KKCBRM CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCCCCCCC(=O)[O-])C2=O)cc1OC ZINC000101017374 554560843 /nfs/dbraw/zinc/56/08/43/554560843.db2.gz DWJQBYOJAXOWST-FCDQGJHFSA-N -1 0 550.743 5.397 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000101390210 554754048 /nfs/dbraw/zinc/75/40/48/554754048.db2.gz NVDRCLMKLJPZQT-ZVHZXABRSA-N -1 0 561.421 6.791 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000101454878 554776775 /nfs/dbraw/zinc/77/67/75/554776775.db2.gz QMRMTLFMLNSPJK-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000101479159 554783273 /nfs/dbraw/zinc/78/32/73/554783273.db2.gz ZGZVTRLQSDOPAA-VCHYOVAHSA-N -1 0 559.775 5.496 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)SC2=S)c1 ZINC000101540934 554795796 /nfs/dbraw/zinc/79/57/96/554795796.db2.gz ZYYSWAKWUJMDBA-FSJBWODESA-N -1 0 539.465 7.100 40 10 KKCBRM Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000102938594 555167226 /nfs/dbraw/zinc/16/72/26/555167226.db2.gz ORASYSSTOPWEKT-NVQSTNCTSA-N -1 0 563.477 7.534 40 10 KKCBRM Cc1ccc(N2C(=O)C(=Cc3cc(Br)cc(Br)c3[O-])C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000103760439 555471028 /nfs/dbraw/zinc/47/10/28/555471028.db2.gz ZIYUPWVDSCANEQ-UHFFFAOYSA-N -1 0 586.305 6.282 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000103780913 555476233 /nfs/dbraw/zinc/47/62/33/555476233.db2.gz OWRVHRGMDXVKDS-UDWIEESQSA-N -1 0 566.466 5.845 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000103781146 555476254 /nfs/dbraw/zinc/47/62/54/555476254.db2.gz YDYIXEXCQIQSNE-WGOQTCKBSA-N -1 0 547.636 5.691 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103814993 555482367 /nfs/dbraw/zinc/48/23/67/555482367.db2.gz RAFMWONWLGQQQG-FYJGNVAPSA-N -1 0 549.421 5.710 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1 ZINC000103814828 555482378 /nfs/dbraw/zinc/48/23/78/555482378.db2.gz MLXSCUHMHFDYHC-OCSSWDANSA-N -1 0 576.693 6.799 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc5ccccc54)c4ccccc34)C2=O)c1 ZINC000103841915 571362376 /nfs/dbraw/zinc/36/23/76/571362376.db2.gz OLNWFZIPPXSIQD-MTDXEUNCSA-N -1 0 559.622 6.307 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000103842928 571362656 /nfs/dbraw/zinc/36/26/56/571362656.db2.gz JOYHVYRUZQAOQX-KBVAKVRCSA-N -1 0 587.695 7.271 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O[C@@H](C)CC)c(OCC)c3)C2=O)c1 ZINC000103843586 571362814 /nfs/dbraw/zinc/36/28/14/571362814.db2.gz LTLJFBLIAVNDOA-QUYZQLMHSA-N -1 0 575.456 5.489 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000103844978 571363003 /nfs/dbraw/zinc/36/30/03/571363003.db2.gz JZNYPCOURDHFCG-FYJGNVAPSA-N -1 0 555.414 6.036 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000103845403 571363030 /nfs/dbraw/zinc/36/30/30/571363030.db2.gz OCNOGKZCTRNSTO-LQKURTRISA-N -1 0 550.630 6.539 40 10 KKCBRM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000103845234 571363041 /nfs/dbraw/zinc/36/30/41/571363041.db2.gz IDEJHSCRZHCQHJ-WYMPLXKRSA-N -1 0 607.501 5.525 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000103845087 571363052 /nfs/dbraw/zinc/36/30/52/571363052.db2.gz DHSUVNDZSQZERG-YBFXNURJSA-N -1 0 561.205 5.425 40 10 KKCBRM Cc1ccc2[nH]c(Sc3ccc(C=C4C(=O)[N-]C(=O)N(c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)C4=O)o3)nc2c1 ZINC000103846167 571363256 /nfs/dbraw/zinc/36/32/56/571363256.db2.gz 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571365164 /nfs/dbraw/zinc/36/51/64/571365164.db2.gz BFJKIJGHVMJYJT-CXUHLZMHSA-N -1 0 590.814 5.560 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000103852199 571365285 /nfs/dbraw/zinc/36/52/85/571365285.db2.gz DYOLINMYPVOWTH-LICLKQGHSA-N -1 0 559.388 5.146 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000103852303 571365397 /nfs/dbraw/zinc/36/53/97/571365397.db2.gz QXUMXDSPMUCKPJ-JFLMPSFJSA-N -1 0 553.703 6.532 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000103852575 571365505 /nfs/dbraw/zinc/36/55/05/571365505.db2.gz NGOXDIVBPKTWNT-HYARGMPZSA-N -1 0 561.034 6.441 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000103852768 571365605 /nfs/dbraw/zinc/36/56/05/571365605.db2.gz ZMTPGFZHLYFZQM-WOJGMQOQSA-N -1 0 573.415 5.536 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 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ZINC000103859587 571367295 /nfs/dbraw/zinc/36/72/95/571367295.db2.gz RSFHLWHAQIHQAR-DEDYPNTBSA-N -1 0 556.210 5.457 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000103859699 571367309 /nfs/dbraw/zinc/36/73/09/571367309.db2.gz HGNZTZHNGACONO-BUVRLJJBSA-N -1 0 606.270 6.610 40 10 KKCBRM CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000103919169 571369566 /nfs/dbraw/zinc/36/95/66/571369566.db2.gz WLFBZNLHKKJWLV-ULJHMMPZSA-N -1 0 532.651 5.381 40 10 KKCBRM COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000103920143 571369767 /nfs/dbraw/zinc/36/97/67/571369767.db2.gz KHDDSXOJCZWBSY-ONUIUJJFSA-N -1 0 553.669 6.533 40 10 KKCBRM COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922628 571369841 /nfs/dbraw/zinc/36/98/41/571369841.db2.gz GQWWGWWXNIETFQ-OFWBYEQRSA-N -1 0 560.679 7.426 40 10 KKCBRM Cc1cc([N-]S(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)nc(C)n1 ZINC000104091268 571373553 /nfs/dbraw/zinc/37/35/53/571373553.db2.gz BOGTVJIYNTVVGT-QBNZQOSMSA-N -1 0 502.564 5.284 40 10 KKCBRM CC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000104214240 571376989 /nfs/dbraw/zinc/37/69/89/571376989.db2.gz BTNCTWUHNXFUEN-BOGUOMQRSA-N -1 0 508.581 6.030 40 10 KKCBRM O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648174 571382439 /nfs/dbraw/zinc/38/24/39/571382439.db2.gz KBCGRFVOZFCMCX-GLDPYIMESA-N -1 0 525.424 5.775 40 10 KKCBRM O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104648364 571382450 /nfs/dbraw/zinc/38/24/50/571382450.db2.gz YUROLYDHRHOCJR-GLDPYIMESA-N -1 0 525.424 5.775 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000104649549 571383044 /nfs/dbraw/zinc/38/30/44/571383044.db2.gz LARJWGYKHKLVRU-ANSQWYIGSA-N -1 0 531.461 6.638 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649776 571383159 /nfs/dbraw/zinc/38/31/59/571383159.db2.gz AAPJOEKZDMWUET-WZOHSFFVSA-N -1 0 545.886 6.738 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000104649814 571383177 /nfs/dbraw/zinc/38/31/77/571383177.db2.gz NIFCEIBDKNPZSO-ANSQWYIGSA-N -1 0 527.042 5.993 40 10 KKCBRM O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2[O-])sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656452 571383997 /nfs/dbraw/zinc/38/39/97/571383997.db2.gz KJHHKRKGKKCAEM-OFQAYLOPSA-N -1 0 619.544 7.202 40 10 KKCBRM Cn1c2ccccc2c([O-])c(C(=O)C[C@H](Nc2cccc3cccc(N)c32)c2c(O)ccc3ccccc32)c1=O ZINC000104827658 571386739 /nfs/dbraw/zinc/38/67/39/571386739.db2.gz PQFLLDDZKCKJCX-VWLOTQADSA-N -1 0 529.596 6.265 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104881950 571386983 /nfs/dbraw/zinc/38/69/83/571386983.db2.gz HEJLCUOHJIBDAP-UDWIEESQSA-N -1 0 568.811 5.391 40 10 KKCBRM Cc1ccc(OCCn2cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)c3cc(Br)ccc32)cc1C ZINC000104881893 571387036 /nfs/dbraw/zinc/38/70/36/571387036.db2.gz IWDVWULFESVHNU-CVKSISIWSA-N -1 0 572.459 5.762 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCOc2ccccc2F)c2ccc(Br)cc12 ZINC000104881879 571387051 /nfs/dbraw/zinc/38/70/51/571387051.db2.gz RIRVMNVLXYPION-HYARGMPZSA-N -1 0 562.395 5.284 40 10 KKCBRM Cc1ccc(OCCn2cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c3cc(Br)ccc32)cc1 ZINC000104882094 571387054 /nfs/dbraw/zinc/38/70/54/571387054.db2.gz SWIINMKAVZAVTR-BUVRLJJBSA-N -1 0 550.453 5.586 40 10 KKCBRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000222707387 571387235 /nfs/dbraw/zinc/38/72/35/571387235.db2.gz SYAYKGUMODMANJ-UHFFFAOYSA-N -1 0 533.418 5.129 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000112245635 571435718 /nfs/dbraw/zinc/43/57/18/571435718.db2.gz MCECKSVVXWKFEC-WOJGMQOQSA-N -1 0 602.812 5.507 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000112246116 571435841 /nfs/dbraw/zinc/43/58/41/571435841.db2.gz NIJSEVGSOMLOSZ-FYJGNVAPSA-N -1 0 549.421 5.710 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000112245918 571435850 /nfs/dbraw/zinc/43/58/50/571435850.db2.gz ZWQSCDXLAFXHNI-UDWIEESQSA-N -1 0 553.384 5.541 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000112246015 571435898 /nfs/dbraw/zinc/43/58/98/571435898.db2.gz FHIOXUGVAAIMJY-UDWIEESQSA-N -1 0 600.384 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000112245832 571435906 /nfs/dbraw/zinc/43/59/06/571435906.db2.gz UMEKAVPHTOKHPE-VCHYOVAHSA-N -1 0 559.833 6.599 40 10 KKCBRM CCN1C(=O)/C(=c2/s/c(=C/c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)[O-])SC1=S ZINC000150379737 571466746 /nfs/dbraw/zinc/46/67/46/571466746.db2.gz OZFUEQNYOBIXTB-SAGNDFMMSA-N -1 0 741.960 7.188 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224131956 571482881 /nfs/dbraw/zinc/48/28/81/571482881.db2.gz LAVLCEZMEDKNCG-BAVULBIOSA-N -1 0 614.215 7.500 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537252 571497375 /nfs/dbraw/zinc/49/73/75/571497375.db2.gz UXTPVWHRYMOYKG-SLDJAQPHSA-N -1 0 512.473 5.393 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223558984 571501796 /nfs/dbraw/zinc/50/17/96/571501796.db2.gz KZZZRINQZDYRSW-BKQORJHRSA-N -1 0 500.426 6.160 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223600349 571510936 /nfs/dbraw/zinc/51/09/36/571510936.db2.gz CFWNSNUZYZJRIS-KOWBDXASSA-N -1 0 540.527 6.089 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481490 571512654 /nfs/dbraw/zinc/51/26/54/571512654.db2.gz BOWUIXAQYNGNOJ-QGMBQPNBSA-N -1 0 718.194 6.779 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223607889 571512761 /nfs/dbraw/zinc/51/27/61/571512761.db2.gz YRJXUVRZTWTHBO-QQZPLFJDSA-N -1 0 524.459 5.925 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223608487 571512863 /nfs/dbraw/zinc/51/28/63/571512863.db2.gz HWXZDAHLPALHON-PUMYGXPMSA-N -1 0 514.453 6.469 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224307166 571518522 /nfs/dbraw/zinc/51/85/22/571518522.db2.gz TWJFXZRRTJZNIK-IZLXSDGUSA-N -1 0 510.663 6.290 40 10 KKCBRM CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000224340922 571526082 /nfs/dbraw/zinc/52/60/82/571526082.db2.gz OGVCTDWZBFCJLW-VSGBNLITSA-N -1 0 510.663 6.235 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000150662512 571527781 /nfs/dbraw/zinc/52/77/81/571527781.db2.gz VVDJBTIXDCFKMS-ZVHZXABRSA-N -1 0 711.350 7.159 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224369567 571531603 /nfs/dbraw/zinc/53/16/03/571531603.db2.gz SPTYMELYTXRUJH-VSGBNLITSA-N -1 0 510.663 6.488 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164322970 571545652 /nfs/dbraw/zinc/54/56/52/571545652.db2.gz NPHXDCOYDPHMCG-FZSIALSZSA-N -1 0 763.109 6.177 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000164334059 571545805 /nfs/dbraw/zinc/54/58/05/571545805.db2.gz SPUCPOYZJRWKMD-FJEPWZHXSA-N -1 0 716.616 7.712 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224437983 571545953 /nfs/dbraw/zinc/54/59/53/571545953.db2.gz DKHZDSWWCLRRDD-FTJBHMTQSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000164336021 571545970 /nfs/dbraw/zinc/54/59/70/571545970.db2.gz WUCQNAMLJIBZHK-ODNPBWNPSA-N -1 0 643.759 7.946 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(I)c3)C2=O)c1 ZINC000164353662 571546245 /nfs/dbraw/zinc/54/62/45/571546245.db2.gz BORUYRGXVKCBQJ-RGVLZGJSSA-N -1 0 756.306 6.078 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223800830 571546460 /nfs/dbraw/zinc/54/64/60/571546460.db2.gz DHALJDOWFPNTMP-SXOMAYOGSA-N -1 0 512.635 5.763 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1 ZINC000223800688 571546507 /nfs/dbraw/zinc/54/65/07/571546507.db2.gz BSNIMDYQWXFUPY-KAYWLYCHSA-N -1 0 512.635 5.763 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164397555 571546941 /nfs/dbraw/zinc/54/69/41/571546941.db2.gz HJNQDIGCDLBUOX-CXUHLZMHSA-N -1 0 718.713 6.099 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000164397442 571546962 /nfs/dbraw/zinc/54/69/62/571546962.db2.gz ZIXZGSVXSOSJOO-OQLLNIDSSA-N -1 0 718.713 6.099 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164388625 571547027 /nfs/dbraw/zinc/54/70/27/571547027.db2.gz KWUSGMQHWLKJEP-YVLHZVERSA-N -1 0 622.843 5.503 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2I)c1 ZINC000164394901 571547041 /nfs/dbraw/zinc/54/70/41/571547041.db2.gz QCJAXRXCASGYSK-LICLKQGHSA-N -1 0 651.295 5.912 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164397679 571547209 /nfs/dbraw/zinc/54/72/09/571547209.db2.gz YVWJRRICTDAECA-VIZOYTHASA-N -1 0 753.158 6.752 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164398862 571547265 /nfs/dbraw/zinc/54/72/65/571547265.db2.gz ZGXHQQRDBNTZQT-CXUHLZMHSA-N -1 0 729.265 5.353 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000164406317 571547435 /nfs/dbraw/zinc/54/74/35/571547435.db2.gz XHLQPBBCHIGVKM-WOJGMQOQSA-N -1 0 728.321 5.844 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000164445838 571547588 /nfs/dbraw/zinc/54/75/88/571547588.db2.gz UEBNWYFMAHBITL-GIJQJNRQSA-N -1 0 761.002 6.824 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164454483 571547913 /nfs/dbraw/zinc/54/79/13/571547913.db2.gz YRAYAOIZJCUBCE-YBFXNURJSA-N -1 0 648.207 5.207 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164451086 571547990 /nfs/dbraw/zinc/54/79/90/571547990.db2.gz VJFAEICKWHKHNM-GIJQJNRQSA-N -1 0 727.103 5.970 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164459326 571548161 /nfs/dbraw/zinc/54/81/61/571548161.db2.gz HYYPVKVJGRQLBF-VXLYETTFSA-N -1 0 665.132 6.228 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000164456274 571548241 /nfs/dbraw/zinc/54/82/41/571548241.db2.gz RJDUUIFKHYLPRI-GIJQJNRQSA-N -1 0 747.096 6.043 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000164469903 571548549 /nfs/dbraw/zinc/54/85/49/571548549.db2.gz FOUANFCBMCIAJP-YBFXNURJSA-N -1 0 634.708 6.509 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224498137 571560677 /nfs/dbraw/zinc/56/06/77/571560677.db2.gz HJCLPFRVMUOECG-RPBOFIJWSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224497880 571560718 /nfs/dbraw/zinc/56/07/18/571560718.db2.gz IIUSAIXPGZKLPN-JWQCQUIFSA-N -1 0 547.478 6.127 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223902303 571571445 /nfs/dbraw/zinc/57/14/45/571571445.db2.gz BDXKXNVPJHUXSZ-NSOVKSMOSA-N -1 0 525.678 5.739 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223902154 571571495 /nfs/dbraw/zinc/57/14/95/571571495.db2.gz BDXKXNVPJHUXSZ-VSGBNLITSA-N -1 0 525.678 5.739 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000206827450 571572831 /nfs/dbraw/zinc/57/28/31/571572831.db2.gz AKMDVJBOCAYCGN-GIJQJNRQSA-N -1 0 591.332 6.410 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208234331 571573501 /nfs/dbraw/zinc/57/35/01/571573501.db2.gz NUKLBWNCRWOKRO-PZUDMAOCSA-N -1 0 512.473 5.311 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208241140 571573546 /nfs/dbraw/zinc/57/35/46/571573546.db2.gz LLLLBDHNGVKJRI-XKYMITNMSA-N -1 0 530.850 5.799 40 10 KKCBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208242369 571573699 /nfs/dbraw/zinc/57/36/99/571573699.db2.gz RAIABIOOYSQSEJ-DGGAMASNSA-N -1 0 506.817 6.035 40 10 KKCBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208237890 571573701 /nfs/dbraw/zinc/57/37/01/571573701.db2.gz CZALZEAKQRUFSP-VVSAQIQQSA-N -1 0 532.891 5.656 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208707443 571575094 /nfs/dbraw/zinc/57/50/94/571575094.db2.gz XMVFYCVUYBVRQP-NVMNQCDNSA-N -1 0 548.220 5.805 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000223977251 571587412 /nfs/dbraw/zinc/58/74/12/571587412.db2.gz VQWDLKDSIXGCCD-KAYWLYCHSA-N -1 0 525.634 5.323 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224672681 571600186 /nfs/dbraw/zinc/60/01/86/571600186.db2.gz ZXCQMXZVPWCBHJ-ZWXJPIIXSA-N -1 0 574.706 7.465 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224055745 571603117 /nfs/dbraw/zinc/60/31/17/571603117.db2.gz VPZLGSTUVCYQNU-NSOVKSMOSA-N -1 0 577.106 6.043 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224055453 571603151 /nfs/dbraw/zinc/60/31/51/571603151.db2.gz YQMXGSRDQSCPMO-VSGBNLITSA-N -1 0 577.106 6.043 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224055850 571603288 /nfs/dbraw/zinc/60/32/88/571603288.db2.gz VPZLGSTUVCYQNU-WUFINQPMSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224706822 571607076 /nfs/dbraw/zinc/60/70/76/571607076.db2.gz DWODMQAUBAQUOM-ROJLCIKYSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224707061 571607229 /nfs/dbraw/zinc/60/72/29/571607229.db2.gz YJKHTWXBHVSEHM-ZWXJPIIXSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224094110 571609036 /nfs/dbraw/zinc/60/90/36/571609036.db2.gz XYSVOYDFJPJKOO-VMPREFPWSA-N -1 0 567.715 6.267 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224775740 571615944 /nfs/dbraw/zinc/61/59/44/571615944.db2.gz SSMMXFUQGGDDOS-CONSDPRKSA-N -1 0 621.744 7.424 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c1 ZINC000224841465 571622330 /nfs/dbraw/zinc/62/23/30/571622330.db2.gz NOCBUXXOTFRGSH-RRPNLBNLSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c1 ZINC000224840988 571622335 /nfs/dbraw/zinc/62/23/35/571622335.db2.gz JNBFHZXYPKECDD-SVBPBHIXSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c1 ZINC000224841026 571622352 /nfs/dbraw/zinc/62/23/52/571622352.db2.gz JNBFHZXYPKECDD-SXOMAYOGSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224871388 571625221 /nfs/dbraw/zinc/62/52/21/571625221.db2.gz REZBNFAUJGOTSH-JWQCQUIFSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224871556 571625308 /nfs/dbraw/zinc/62/53/08/571625308.db2.gz TTZKHCRCPYPMBO-JWQCQUIFSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224871487 571625323 /nfs/dbraw/zinc/62/53/23/571625323.db2.gz REZBNFAUJGOTSH-DQEYMECFSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224874440 571625694 /nfs/dbraw/zinc/62/56/94/571625694.db2.gz MANXTCNPOJPSRT-FTJBHMTQSA-N -1 0 533.053 6.032 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224931049 571631136 /nfs/dbraw/zinc/63/11/36/571631136.db2.gz HVXGSHSVTBAYCN-CLJLJLNGSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224931178 571631179 /nfs/dbraw/zinc/63/11/79/571631179.db2.gz HVXGSHSVTBAYCN-UIOOFZCWSA-N -1 0 561.505 6.435 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000224963131 571634418 /nfs/dbraw/zinc/63/44/18/571634418.db2.gz YJPRIOCPXCUWIR-SXOMAYOGSA-N -1 0 547.080 6.335 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224989087 571636817 /nfs/dbraw/zinc/63/68/17/571636817.db2.gz LHKMFHVXORZNDT-JSOSNVBQSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225074859 571644486 /nfs/dbraw/zinc/64/44/86/571644486.db2.gz VFFDTTXANBHORQ-JHOUSYSJSA-N -1 0 617.731 6.382 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225160125 571653282 /nfs/dbraw/zinc/65/32/82/571653282.db2.gz LLHBSAYXMXMZRU-FQLXRVMXSA-N -1 0 553.688 6.021 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000225244438 571661953 /nfs/dbraw/zinc/66/19/53/571661953.db2.gz BULOUJCINNCAMP-WUFINQPMSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000225244625 571661989 /nfs/dbraw/zinc/66/19/89/571661989.db2.gz DIYGZSWHWUWRMS-VSGBNLITSA-N -1 0 590.105 5.603 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225345969 571705810 /nfs/dbraw/zinc/70/58/10/571705810.db2.gz JSCGTLGNVMHCOA-VSGBNLITSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225348397 571708954 /nfs/dbraw/zinc/70/89/54/571708954.db2.gz NKDMPRMOQPLHHR-FQLXRVMXSA-N -1 0 540.689 6.460 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225371886 571737478 /nfs/dbraw/zinc/73/74/78/571737478.db2.gz ZVOXFJXQNDGCKD-XZWHSSHBSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225374070 571740144 /nfs/dbraw/zinc/74/01/44/571740144.db2.gz KBXBWBMACNZYBZ-JSOSNVBQSA-N -1 0 566.727 6.994 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225455984 571827661 /nfs/dbraw/zinc/82/76/61/571827661.db2.gz QPWNSBGGESYVOU-KAYWLYCHSA-N -1 0 575.716 5.044 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225553128 571915838 /nfs/dbraw/zinc/91/58/38/571915838.db2.gz MLRFZLFBWVGAIT-FIRIVFDPSA-N -1 0 581.742 6.059 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225615222 571966057 /nfs/dbraw/zinc/96/60/57/571966057.db2.gz IFCUHWOOVSZMIV-VMPREFPWSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225615170 571966063 /nfs/dbraw/zinc/96/60/63/571966063.db2.gz IFCUHWOOVSZMIV-WDYNHAJCSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225648585 571997261 /nfs/dbraw/zinc/99/72/61/571997261.db2.gz TZTIEKBKDRHSNA-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225650488 571998982 /nfs/dbraw/zinc/99/89/82/571998982.db2.gz COKPDCJCBZJLNU-KYJUHHDHSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225706513 572036662 /nfs/dbraw/zinc/03/66/62/572036662.db2.gz AJIPDSRFWKPIKW-ACHIHNKUSA-N -1 0 589.721 6.342 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225706487 572036767 /nfs/dbraw/zinc/03/67/67/572036767.db2.gz AJIPDSRFWKPIKW-AJQTZOPKSA-N -1 0 589.721 6.342 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225708178 572038503 /nfs/dbraw/zinc/03/85/03/572038503.db2.gz HCXGVMFPDRFNIJ-SAIUNTKASA-N -1 0 603.748 6.650 40 10 KKCBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225804306 572072042 /nfs/dbraw/zinc/07/20/42/572072042.db2.gz PNUSUYMBBTVAHD-UHFFFAOYSA-N -1 0 569.491 6.450 40 10 KKCBRM CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408526692 572158321 /nfs/dbraw/zinc/15/83/21/572158321.db2.gz CCACOWARYGGJEJ-ZXVVBBHZSA-N -1 0 540.664 5.215 40 10 KKCBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000408526668 572158382 /nfs/dbraw/zinc/15/83/82/572158382.db2.gz CZFUMOIYLQLTJY-MTDXEUNCSA-N -1 0 709.597 6.301 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408527834 572161879 /nfs/dbraw/zinc/16/18/79/572161879.db2.gz ACTUXGYGCIHHJN-KGENOOAVSA-N -1 0 549.377 5.042 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408528052 572162197 /nfs/dbraw/zinc/16/21/97/572162197.db2.gz AQDQKPWXJOOEFX-NVMNQCDNSA-N -1 0 628.229 5.134 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408529235 572167395 /nfs/dbraw/zinc/16/73/95/572167395.db2.gz CMDMFRCRIGOTHX-KPFFVQBGSA-N -1 0 644.703 6.459 40 10 KKCBRM COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1Cl ZINC000408529689 572169198 /nfs/dbraw/zinc/16/91/98/572169198.db2.gz HPIBJRQDMCLASW-HZHRSRAPSA-N -1 0 534.012 5.173 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408530288 572171084 /nfs/dbraw/zinc/17/10/84/572171084.db2.gz DVINQRXNLWBFOI-YBFXNURJSA-N -1 0 651.240 5.882 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Cl)cc2)C1=O ZINC000408530390 572171094 /nfs/dbraw/zinc/17/10/94/572171094.db2.gz FFPQFSJHTGQCFI-WQRHYEAKSA-N -1 0 618.665 6.059 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408530298 572171322 /nfs/dbraw/zinc/17/13/22/572171322.db2.gz DXLZKIJGGGVJEQ-XBXPHJQFSA-N -1 0 537.355 5.287 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)C2=O)c1 ZINC000408532135 572178665 /nfs/dbraw/zinc/17/86/65/572178665.db2.gz IEFYXPPCZVNSQU-ODLFYWEKSA-N -1 0 600.219 5.106 40 10 KKCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408532283 572179138 /nfs/dbraw/zinc/17/91/38/572179138.db2.gz MGJHUYDVORQXPV-UDWIEESQSA-N -1 0 536.430 5.064 40 10 KKCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408532582 572180321 /nfs/dbraw/zinc/18/03/21/572180321.db2.gz IJUCOJRQJZPGLI-WQRHYEAKSA-N -1 0 607.187 5.484 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3Br)C2=O)cc1 ZINC000408533204 572182668 /nfs/dbraw/zinc/18/26/68/572182668.db2.gz RRZQZEQWZUUDJL-JCMHNJIXSA-N -1 0 593.478 5.214 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408533647 572183975 /nfs/dbraw/zinc/18/39/75/572183975.db2.gz KJROQXVHAAKPMJ-DNVWBLEXSA-N -1 0 570.907 5.653 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408534519 572186079 /nfs/dbraw/zinc/18/60/79/572186079.db2.gz MGOAAUYQBFLIRZ-ZDLGFXPLSA-N -1 0 686.083 6.246 40 10 KKCBRM Cc1nn(Cc2ccccc2Cl)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Br)c(C)c2)c1=O ZINC000408534926 572187592 /nfs/dbraw/zinc/18/75/92/572187592.db2.gz RTDNWIDKNWSHEO-NDENLUEZSA-N -1 0 512.839 5.991 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408535632 572189086 /nfs/dbraw/zinc/18/90/86/572189086.db2.gz OIILFKUJKHSCHQ-BOPFTXTBSA-N -1 0 645.216 5.014 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408535785 572189704 /nfs/dbraw/zinc/18/97/04/572189704.db2.gz OUSNRRRIIZVYIJ-ODLFYWEKSA-N -1 0 629.217 5.314 40 10 KKCBRM Cn1c2cc(Br)c(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)cc2n(C)c1=O ZINC000408536295 572190603 /nfs/dbraw/zinc/19/06/03/572190603.db2.gz VVXKFQUSRDEOGN-XMHGGMMESA-N -1 0 683.401 5.449 40 10 KKCBRM CCn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408536288 572190687 /nfs/dbraw/zinc/19/06/87/572190687.db2.gz VTSCWKBOBLURRF-LTGZKZEYSA-N -1 0 677.556 5.560 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2)C1=O ZINC000408536505 572191068 /nfs/dbraw/zinc/19/10/68/572191068.db2.gz RRGUCMVHOYUZRN-PDGQHHTCSA-N -1 0 584.220 5.406 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408536695 572192247 /nfs/dbraw/zinc/19/22/47/572192247.db2.gz AKEHBSHNTZTUHF-CFRMEGHHSA-N -1 0 619.457 6.532 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408536973 572192725 /nfs/dbraw/zinc/19/27/25/572192725.db2.gz BTAJLNXXEFTERA-AFUMVMLFSA-N -1 0 617.029 6.321 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1 ZINC000408537165 572193760 /nfs/dbraw/zinc/19/37/60/572193760.db2.gz USIXVPCNYHKDKO-WQRHYEAKSA-N -1 0 649.089 5.860 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408537408 572194353 /nfs/dbraw/zinc/19/43/53/572194353.db2.gz DSDFLJXIOBWSRG-QRQIAZFYSA-N -1 0 685.129 6.748 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Br)cc1 ZINC000408537571 572194831 /nfs/dbraw/zinc/19/48/31/572194831.db2.gz WISBRNDTSRXAOO-NVMNQCDNSA-N -1 0 717.086 6.879 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408537538 572194999 /nfs/dbraw/zinc/19/49/99/572194999.db2.gz WBKBSQZAWSBNKT-FFKFWDHTSA-N -1 0 767.124 6.010 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537592 572195140 /nfs/dbraw/zinc/19/51/40/572195140.db2.gz GAJWKTFPYQADFR-AFUMVMLFSA-N -1 0 785.283 8.197 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537753 572196176 /nfs/dbraw/zinc/19/61/76/572196176.db2.gz HELOOGZCBVCCKC-AFUMVMLFSA-N -1 0 661.480 6.430 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408538083 572197027 /nfs/dbraw/zinc/19/70/27/572197027.db2.gz IVRLXEWAYYZANE-LDADJPATSA-N -1 0 535.822 5.737 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000408538281 572197588 /nfs/dbraw/zinc/19/75/88/572197588.db2.gz ZZGQCZMLZFHWIB-YVLHZVERSA-N -1 0 690.297 5.132 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 ZINC000408538348 572197898 /nfs/dbraw/zinc/19/78/98/572197898.db2.gz LJKRTWSMJIXWMP-QQXSKIMKSA-N -1 0 658.461 6.190 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538425 572197985 /nfs/dbraw/zinc/19/79/85/572197985.db2.gz MRCWHYSKBZNPGH-OGLMXYFKSA-N -1 0 701.570 7.080 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538407 572198096 /nfs/dbraw/zinc/19/80/96/572198096.db2.gz MJBGPJDUNVSISD-DHRITJCHSA-N -1 0 647.511 7.143 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538696 572199089 /nfs/dbraw/zinc/19/90/89/572199089.db2.gz PFPAWWCXPCKILV-VEILYXNESA-N -1 0 564.594 5.615 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538601 572199155 /nfs/dbraw/zinc/19/91/55/572199155.db2.gz AHCQFOJGTCEKIZ-MYYYXRDXSA-N -1 0 659.558 6.456 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1OCC ZINC000408538810 572199512 /nfs/dbraw/zinc/19/95/12/572199512.db2.gz BZSXTYNVZPMZRH-OGLMXYFKSA-N -1 0 745.623 7.478 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408538730 572199601 /nfs/dbraw/zinc/19/96/01/572199601.db2.gz PWJQFVUQXNKNFN-UQQQWYQISA-N -1 0 607.501 6.662 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000408538896 572199917 /nfs/dbraw/zinc/19/99/17/572199917.db2.gz RAVCOBYCGYPZPA-XSFVSMFZSA-N -1 0 545.430 5.482 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000408539071 572200515 /nfs/dbraw/zinc/20/05/15/572200515.db2.gz FDRKJZHSUYXDFS-JBASAIQMSA-N -1 0 650.728 7.097 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538960 572200568 /nfs/dbraw/zinc/20/05/68/572200568.db2.gz SADYZKZGCITYPN-YUMHPJSZSA-N -1 0 687.543 6.777 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539130 572200935 /nfs/dbraw/zinc/20/09/35/572200935.db2.gz TZDDISFUUQOARL-QQXSKIMKSA-N -1 0 609.591 5.436 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539131 572201189 /nfs/dbraw/zinc/20/11/89/572201189.db2.gz TZDGGLMMNOPNAR-VEILYXNESA-N -1 0 636.657 5.705 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000408539204 572201200 /nfs/dbraw/zinc/20/12/00/572201200.db2.gz FRSFRUBCLXMHEH-WJDWOHSUSA-N -1 0 509.817 6.581 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408539366 572201864 /nfs/dbraw/zinc/20/18/64/572201864.db2.gz VZURJWOCARPLPD-XHLNEMQHSA-N -1 0 592.648 6.308 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539493 572202647 /nfs/dbraw/zinc/20/26/47/572202647.db2.gz WQAKVPRGACZNQR-ZMOGYAJESA-N -1 0 621.448 6.966 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408539816 572203291 /nfs/dbraw/zinc/20/32/91/572203291.db2.gz ZDKRMRGGFSYGDF-UNOMPAQXSA-N -1 0 515.950 5.272 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539751 572203443 /nfs/dbraw/zinc/20/34/43/572203443.db2.gz YODGQGQSKOEMKI-WGARJPEWSA-N -1 0 658.063 6.480 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539727 572203471 /nfs/dbraw/zinc/20/34/71/572203471.db2.gz JNQNNVYNIKTQLD-ONUIUJJFSA-N -1 0 627.093 6.880 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539905 572203804 /nfs/dbraw/zinc/20/38/04/572203804.db2.gz KLBDPKBNNPSMKV-DHRITJCHSA-N -1 0 633.484 6.835 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539839 572203828 /nfs/dbraw/zinc/20/38/28/572203828.db2.gz ZJQWFEDZEJELDV-USHMODERSA-N -1 0 685.527 6.459 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408540018 572204195 /nfs/dbraw/zinc/20/41/95/572204195.db2.gz LTWMQNTXOVKHJW-CJLVFECKSA-N -1 0 617.537 6.661 40 10 KKCBRM CCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408540174 572204667 /nfs/dbraw/zinc/20/46/67/572204667.db2.gz OCDVIUMBTFXUOS-PTGBLXJZSA-N -1 0 538.641 5.898 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408540272 572204983 /nfs/dbraw/zinc/20/49/83/572204983.db2.gz PKZCRDBVGLPPJR-ZHZULCJRSA-N -1 0 589.483 5.881 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408540295 572205015 /nfs/dbraw/zinc/20/50/15/572205015.db2.gz PRSUVDPYVYGYFW-YZSQISJMSA-N -1 0 583.040 6.481 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408540403 572205371 /nfs/dbraw/zinc/20/53/71/572205371.db2.gz RHQJYWQXFNWYOC-CPNJWEJPSA-N -1 0 519.823 6.036 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540322 572205507 /nfs/dbraw/zinc/20/55/07/572205507.db2.gz PZVGJPNGILHGOS-JFLMPSFJSA-N -1 0 720.016 8.033 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1Cl ZINC000408540407 572205521 /nfs/dbraw/zinc/20/55/21/572205521.db2.gz RIYMFZILLJXWHO-UYRXBGFRSA-N -1 0 549.451 6.416 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)cc3)C2=O)cc1OC ZINC000408540482 572205792 /nfs/dbraw/zinc/20/57/92/572205792.db2.gz SIZHFTOQUXBILE-CEUNXORHSA-N -1 0 622.674 6.317 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408540730 572206498 /nfs/dbraw/zinc/20/64/98/572206498.db2.gz VNPDUQWOWOOSPO-RCCKNPSSSA-N -1 0 559.059 6.162 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408540873 572207029 /nfs/dbraw/zinc/20/70/29/572207029.db2.gz WRLCIQYAPAFNHA-WPWMEQJKSA-N -1 0 675.963 7.634 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Br)c3)C2=O)cc1OCC ZINC000408541218 572207902 /nfs/dbraw/zinc/20/79/02/572207902.db2.gz YLPOZBYVXGOMBL-JVWAILMASA-N -1 0 794.493 8.232 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c3ccccc32)c1 ZINC000408541646 572209394 /nfs/dbraw/zinc/20/93/94/572209394.db2.gz HBQQDNQUPAZHGD-OEAKJJBVSA-N -1 0 588.483 5.378 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C2=O)cc1 ZINC000408543256 572212089 /nfs/dbraw/zinc/21/20/89/572212089.db2.gz OLVGLOVQUOBTEL-ZXVVBBHZSA-N -1 0 567.642 5.129 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543223 572212160 /nfs/dbraw/zinc/21/21/60/572212160.db2.gz NTUOTYBFGBXYHS-NLRVBDNBSA-N -1 0 583.710 5.348 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408550371 572233839 /nfs/dbraw/zinc/23/38/39/572233839.db2.gz GPZJBTXQTYJNKP-STZFKDTASA-N -1 0 510.034 5.691 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550340 572233926 /nfs/dbraw/zinc/23/39/26/572233926.db2.gz CXCPXEYKZBDUOO-RZNTYIFUSA-N -1 0 648.113 7.291 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550549 572234288 /nfs/dbraw/zinc/23/42/88/572234288.db2.gz FFSVRZQFCBXVQX-PXNMLYILSA-N -1 0 579.223 5.984 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550940 572235067 /nfs/dbraw/zinc/23/50/67/572235067.db2.gz IMFPIWIASWYLSG-NVMNQCDNSA-N -1 0 633.828 5.638 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408551079 572235333 /nfs/dbraw/zinc/23/53/33/572235333.db2.gz AVJTWRLFSJEKRF-VCHYOVAHSA-N -1 0 558.805 5.639 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551022 572235439 /nfs/dbraw/zinc/23/54/39/572235439.db2.gz JAIYUXLILYZZGO-YVLHZVERSA-N -1 0 588.831 5.648 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551010 572235454 /nfs/dbraw/zinc/23/54/54/572235454.db2.gz IYENIAOSKLZHEK-QGMBQPNBSA-N -1 0 667.727 6.492 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408551076 572235459 /nfs/dbraw/zinc/23/54/59/572235459.db2.gz AUFRVAXPMOHNIR-FYJGNVAPSA-N -1 0 646.911 6.518 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551336 572236247 /nfs/dbraw/zinc/23/62/47/572236247.db2.gz KGHZBZUPZKYSNR-MYYYXRDXSA-N -1 0 646.483 6.265 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551522 572236386 /nfs/dbraw/zinc/23/63/86/572236386.db2.gz DLJYEDKFJJRITD-MFOYZWKCSA-N -1 0 635.323 5.613 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408551678 572236409 /nfs/dbraw/zinc/23/64/09/572236409.db2.gz FICUBDSUDSDCTM-ZDLGFXPLSA-N -1 0 602.814 5.117 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551745 572236797 /nfs/dbraw/zinc/23/67/97/572236797.db2.gz MHOGQVSQFAZVSR-REZTVBANSA-N -1 0 700.700 5.944 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551831 572236804 /nfs/dbraw/zinc/23/68/04/572236804.db2.gz GLKLGVQEOCUFGG-CAOOACKPSA-N -1 0 592.794 5.478 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000408552060 572237373 /nfs/dbraw/zinc/23/73/73/572237373.db2.gz NPTFPXHHCLEPQI-CHHVJCJISA-N -1 0 627.695 6.946 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408552100 572237639 /nfs/dbraw/zinc/23/76/39/572237639.db2.gz OFDBFVWUFUJPNL-GIJQJNRQSA-N -1 0 696.281 5.299 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552196 572237689 /nfs/dbraw/zinc/23/76/89/572237689.db2.gz PDOMBGGCITZFAG-VXLYETTFSA-N -1 0 588.831 5.729 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552081 572237775 /nfs/dbraw/zinc/23/77/75/572237775.db2.gz HDGMKKPEXJXLJM-WOJGMQOQSA-N -1 0 589.229 5.440 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000408552517 572238514 /nfs/dbraw/zinc/23/85/14/572238514.db2.gz QLGYGWYLXGHSDA-NVMNQCDNSA-N -1 0 756.231 7.000 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1Cl ZINC000408552525 572238718 /nfs/dbraw/zinc/23/87/18/572238718.db2.gz QMFDJPWDPIMXRN-VXLYETTFSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552483 572238753 /nfs/dbraw/zinc/23/87/53/572238753.db2.gz QAOPQPIWAXZMOQ-NVMNQCDNSA-N -1 0 604.830 5.435 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552620 572239090 /nfs/dbraw/zinc/23/90/90/572239090.db2.gz RPWOWJDQRNDJTH-QGMBQPNBSA-N -1 0 728.754 6.642 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408552634 572239151 /nfs/dbraw/zinc/23/91/51/572239151.db2.gz RUTQRGMNAGXRGC-CIAFOILYSA-N -1 0 735.415 7.026 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553013 572239594 /nfs/dbraw/zinc/23/95/94/572239594.db2.gz UGSLDOOFAGSAOE-NVMNQCDNSA-N -1 0 714.727 6.334 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408553392 572240285 /nfs/dbraw/zinc/24/02/85/572240285.db2.gz VXERQYKVBPTPEO-RGVLZGJSSA-N -1 0 677.335 6.237 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553419 572240687 /nfs/dbraw/zinc/24/06/87/572240687.db2.gz WEIDNLPKWNJVEQ-GIJQJNRQSA-N -1 0 588.831 5.648 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408553938 572241231 /nfs/dbraw/zinc/24/12/31/572241231.db2.gz XLYNYQSMSQKIDH-QQXSKIMKSA-N -1 0 616.457 6.256 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408553952 572241292 /nfs/dbraw/zinc/24/12/92/572241292.db2.gz XQPPUXRXXDWUAL-OMCISZLKSA-N -1 0 702.570 6.856 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554141 572241434 /nfs/dbraw/zinc/24/14/34/572241434.db2.gz QJHQMHHRAXMHDM-PXNMLYILSA-N -1 0 613.668 6.638 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554292 572241691 /nfs/dbraw/zinc/24/16/91/572241691.db2.gz RKIATLXYAZLLMS-ZDLGFXPLSA-N -1 0 589.775 5.239 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555290 572242732 /nfs/dbraw/zinc/24/27/32/572242732.db2.gz WWONTZIRQKZTTM-UUASQNMZSA-N -1 0 643.694 6.646 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408555868 572243211 /nfs/dbraw/zinc/24/32/11/572243211.db2.gz ZARXWMFOPQIWSM-RQZCQDPDSA-N -1 0 562.768 5.470 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408588772 572266985 /nfs/dbraw/zinc/26/69/85/572266985.db2.gz YOAMPDCSTNMRRX-UHFFFAOYSA-N -1 0 555.439 6.286 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000408630495 572286152 /nfs/dbraw/zinc/28/61/52/572286152.db2.gz AMXHNXKYYADWQF-YDZHTSKRSA-N -1 0 524.046 5.825 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408631616 572287669 /nfs/dbraw/zinc/28/76/69/572287669.db2.gz GAHHAJSHCPGOHY-QRQIAZFYSA-N -1 0 552.656 6.781 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632121 572288301 /nfs/dbraw/zinc/28/83/01/572288301.db2.gz HMTMCEHPCXTIJA-OYKKKHCWSA-N -1 0 549.609 5.516 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(-c4cc(Cl)ccc4OC)o3)C(=O)[O-])c2C)cc1 ZINC000408632126 572288473 /nfs/dbraw/zinc/28/84/73/572288473.db2.gz HNIXTSQOXOWBRB-QRVIBDJDSA-N -1 0 554.024 6.201 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])n[nH]1 ZINC000408633090 572289681 /nfs/dbraw/zinc/28/96/81/572289681.db2.gz VWEONMICAFHYLE-LSFURLLWSA-N -1 0 524.986 5.488 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633313 572289955 /nfs/dbraw/zinc/28/99/55/572289955.db2.gz MMRRYGUQZVYXAR-OYKKKHCWSA-N -1 0 539.057 6.261 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408634271 572291230 /nfs/dbraw/zinc/29/12/30/572291230.db2.gz SZMAOBLBNVABBF-UUYOSTAYSA-N -1 0 555.454 5.877 40 10 KKCBRM CCn1c(S/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408635128 572292184 /nfs/dbraw/zinc/29/21/84/572292184.db2.gz ZDGBHSCJBNDWEP-JMIUGGIZSA-N -1 0 533.448 5.029 40 10 KKCBRM Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408635206 572292296 /nfs/dbraw/zinc/29/22/96/572292296.db2.gz YCFUUCIVKYKIMM-JMIUGGIZSA-N -1 0 503.386 6.543 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C(/Sc3nnc(-c4cc(Cl)ccc4OC)o3)C(=O)[O-])c2C)c1C ZINC000408635287 572292408 /nfs/dbraw/zinc/29/24/08/572292408.db2.gz ZWHFNIBJBBMOGP-FSJBWODESA-N -1 0 554.024 6.119 40 10 KKCBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409329637 1072383412 /nfs/dbraw/zinc/38/34/12/1072383412.db2.gz GOTYMQMHGCSUQZ-ACAGNQJTSA-N -1 0 634.085 6.314 40 10 KKCBRM CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1Cl ZINC000102681370 1069706031 /nfs/dbraw/zinc/70/60/31/1069706031.db2.gz UGPDYSLJRNCZBN-KGENOOAVSA-N -1 0 528.055 5.657 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408816565 1069743228 /nfs/dbraw/zinc/74/32/28/1069743228.db2.gz YYHWBGBPEIXWCQ-XDHOZWIPSA-N -1 0 531.779 5.901 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408819623 1069744078 /nfs/dbraw/zinc/74/40/78/1069744078.db2.gz ZTAKOSCQCBQAIU-SFQUDFHCSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408837657 1069745567 /nfs/dbraw/zinc/74/55/67/1069745567.db2.gz KTGICOSQMIQOEQ-KUSDHMTMSA-N -1 0 638.145 5.695 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408884315 1069749818 /nfs/dbraw/zinc/74/98/18/1069749818.db2.gz SZVBMPLZZATBIW-KEBDBYFISA-N -1 0 568.355 5.152 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408885064 1069750620 /nfs/dbraw/zinc/75/06/20/1069750620.db2.gz ZVTWOUWQFFTFFP-YBFXNURJSA-N -1 0 618.811 5.294 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409090882 1069776442 /nfs/dbraw/zinc/77/64/42/1069776442.db2.gz RBBSQYRNCKMXQO-VIZOYTHASA-N -1 0 600.720 7.033 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccccc1Cl ZINC000409400867 1069807894 /nfs/dbraw/zinc/80/78/94/1069807894.db2.gz USBNIJPZMKVXKN-WQRHYEAKSA-N -1 0 518.194 5.796 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408770744 1069870140 /nfs/dbraw/zinc/87/01/40/1069870140.db2.gz BTMPOSODUGSSAK-FYJGNVAPSA-N -1 0 584.435 5.019 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408771292 1069870740 /nfs/dbraw/zinc/87/07/40/1069870740.db2.gz FKMXJGWLHIZYEK-GIJQJNRQSA-N -1 0 662.864 5.524 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408769365 1069876140 /nfs/dbraw/zinc/87/61/40/1069876140.db2.gz SAPXORYOYFSAAY-PCLIKHOPSA-N -1 0 507.502 5.302 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408769691 1069876764 /nfs/dbraw/zinc/87/67/64/1069876764.db2.gz ZGTYIHTYMDOTQL-CVKSISIWSA-N -1 0 555.030 6.754 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408768953 1069874941 /nfs/dbraw/zinc/87/49/41/1069874941.db2.gz MWHRTQLZTCCQFS-FYJGNVAPSA-N -1 0 569.468 5.455 40 10 KKCBRM COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4[O-])c(=O)n32)c1 ZINC000408770532 1069879683 /nfs/dbraw/zinc/87/96/83/1069879683.db2.gz YOXUQSXQXOGTMW-ZOIQZCJZSA-N -1 0 601.688 6.004 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408776340 1069881539 /nfs/dbraw/zinc/88/15/39/1069881539.db2.gz YUGTZGHMUSBAKC-RQZCQDPDSA-N -1 0 601.837 5.374 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408773318 1069886794 /nfs/dbraw/zinc/88/67/94/1069886794.db2.gz QOVKIUBXBUQBFF-PKAZHMFMSA-N -1 0 688.543 6.934 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408772197 1069882978 /nfs/dbraw/zinc/88/29/78/1069882978.db2.gz CJLFRXUQGZJLLJ-RGVLZGJSSA-N -1 0 634.708 6.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772675 1069884745 /nfs/dbraw/zinc/88/47/45/1069884745.db2.gz QIEBUISUUZVGRY-DEDYPNTBSA-N -1 0 584.435 5.019 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408774721 1069890580 /nfs/dbraw/zinc/89/05/80/1069890580.db2.gz MYRCLMXGXMTRRX-DJKKODMXSA-N -1 0 604.226 5.605 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408777318 1069895068 /nfs/dbraw/zinc/89/50/68/1069895068.db2.gz YHPIYZICLPEFEG-XSFVSMFZSA-N -1 0 570.885 7.060 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408778201 1069897007 /nfs/dbraw/zinc/89/70/07/1069897007.db2.gz QUVCEMYKFYAGDX-KEBDBYFISA-N -1 0 629.261 5.982 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408780216 1069902928 /nfs/dbraw/zinc/90/29/28/1069902928.db2.gz VLUCDFKZQOZHGM-OEAKJJBVSA-N -1 0 504.373 5.971 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408780287 1069903076 /nfs/dbraw/zinc/90/30/76/1069903076.db2.gz WTQCOHKEHKMURZ-VXLYETTFSA-N -1 0 623.230 5.852 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408780519 1069903830 /nfs/dbraw/zinc/90/38/30/1069903830.db2.gz CQIYCIMEIIYXDR-SRZZPIQSSA-N -1 0 593.430 5.439 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408781944 1069906140 /nfs/dbraw/zinc/90/61/40/1069906140.db2.gz DMLFNOVPLLBOKR-SRZZPIQSSA-N -1 0 580.391 5.228 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408782451 1069906961 /nfs/dbraw/zinc/90/69/61/1069906961.db2.gz IQMMVSHFIAZUFP-FYJGNVAPSA-N -1 0 508.441 5.305 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408783199 1069909074 /nfs/dbraw/zinc/90/90/74/1069909074.db2.gz LAJDLDBIRAYANX-WSDLNYQXSA-N -1 0 614.411 5.691 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408783925 1069910889 /nfs/dbraw/zinc/91/08/89/1069910889.db2.gz QSLLOHOITVKMGB-FYJGNVAPSA-N -1 0 602.812 5.589 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408784089 1069911552 /nfs/dbraw/zinc/91/15/52/1069911552.db2.gz SLCCSQOGIKQIEL-JFLMPSFJSA-N -1 0 604.888 6.755 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000408784638 1069912262 /nfs/dbraw/zinc/91/22/62/1069912262.db2.gz VLDFWPHPJKDQNJ-HYARGMPZSA-N -1 0 550.409 5.008 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408785248 1069914089 /nfs/dbraw/zinc/91/40/89/1069914089.db2.gz XMIKFGZSIAKUJD-UHFFFAOYSA-N -1 0 660.489 6.317 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408785653 1069914945 /nfs/dbraw/zinc/91/49/45/1069914945.db2.gz AIEHIHPEMBBNHP-GIJQJNRQSA-N -1 0 633.854 5.903 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408786194 1069920429 /nfs/dbraw/zinc/92/04/29/1069920429.db2.gz GRIKIEXVYWPSRT-WGOQTCKBSA-N -1 0 506.558 5.711 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408795520 1069927910 /nfs/dbraw/zinc/92/79/10/1069927910.db2.gz CHNDAEHVKVSOMH-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408795212 1069928043 /nfs/dbraw/zinc/92/80/43/1069928043.db2.gz BRGSRIGHFNZSDE-LPYMAVHISA-N -1 0 610.448 5.861 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408796946 1069931531 /nfs/dbraw/zinc/93/15/31/1069931531.db2.gz FFLPUEMTNVRMEA-WSDLNYQXSA-N -1 0 541.387 5.646 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000408800100 1069935319 /nfs/dbraw/zinc/93/53/19/1069935319.db2.gz KLFNYQKOMWKZNE-GZTJUZNOSA-N -1 0 588.785 5.199 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408799729 1069934446 /nfs/dbraw/zinc/93/44/46/1069934446.db2.gz IBKWYQDZOTWQHX-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408799296 1069934649 /nfs/dbraw/zinc/93/46/49/1069934649.db2.gz KEEBAEMCBARIIB-TURZUDJPSA-N -1 0 518.569 5.819 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408799911 1069935535 /nfs/dbraw/zinc/93/55/35/1069935535.db2.gz JGOIQOKSZOIXBV-YBFXNURJSA-N -1 0 576.230 6.010 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408800527 1069936753 /nfs/dbraw/zinc/93/67/53/1069936753.db2.gz NQFIMUIUSHHUDL-LPYMAVHISA-N -1 0 565.840 7.354 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408800693 1069936927 /nfs/dbraw/zinc/93/69/27/1069936927.db2.gz QRAMSPKUKYPSSV-CIAFOILYSA-N -1 0 596.421 5.470 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408800684 1069937057 /nfs/dbraw/zinc/93/70/57/1069937057.db2.gz OLEMAGZRORIMGH-JVWAILMASA-N -1 0 617.485 7.217 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408800750 1069937704 /nfs/dbraw/zinc/93/77/04/1069937704.db2.gz PDABKPXZXDUZFB-CAOOACKPSA-N -1 0 639.229 5.558 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408800863 1069937726 /nfs/dbraw/zinc/93/77/26/1069937726.db2.gz RNLNFCMVMQOGFB-RGVLZGJSSA-N -1 0 618.267 6.178 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408801196 1069938590 /nfs/dbraw/zinc/93/85/90/1069938590.db2.gz SEDBAUZMGSUIDB-FYJGNVAPSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408801619 1069940163 /nfs/dbraw/zinc/94/01/63/1069940163.db2.gz WJQATLZEPXMKAL-JJIBRWJFSA-N -1 0 500.551 5.120 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408801734 1069940392 /nfs/dbraw/zinc/94/03/92/1069940392.db2.gz VLJIQMKZRAPQNL-SRZZPIQSSA-N -1 0 525.388 5.864 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408800359 1069936231 /nfs/dbraw/zinc/93/62/31/1069936231.db2.gz OMRKGLOQSDAKQO-RGVLZGJSSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408802811 1069945669 /nfs/dbraw/zinc/94/56/69/1069945669.db2.gz HRPKWDGNFURNAN-KEBDBYFISA-N -1 0 614.836 5.963 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408807303 1069944245 /nfs/dbraw/zinc/94/42/45/1069944245.db2.gz GYGHPALNTDAPKJ-DJKKODMXSA-N -1 0 542.331 5.156 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408802599 1069945038 /nfs/dbraw/zinc/94/50/38/1069945038.db2.gz ZGMNSCWNFXRUQX-YDZHTSKRSA-N -1 0 572.371 5.756 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408804725 1069950636 /nfs/dbraw/zinc/95/06/36/1069950636.db2.gz GYDAZZRJGQADCD-DJKKODMXSA-N -1 0 586.782 5.265 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408804007 1069949117 /nfs/dbraw/zinc/94/91/17/1069949117.db2.gz BSUJJQITYSSYCA-HYARGMPZSA-N -1 0 600.263 5.856 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408804191 1069949817 /nfs/dbraw/zinc/94/98/17/1069949817.db2.gz CYMZPCDLUGWMLU-KEBDBYFISA-N -1 0 647.809 5.497 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408805156 1069952446 /nfs/dbraw/zinc/95/24/46/1069952446.db2.gz IXVAKNOUQMNCAW-RGVLZGJSSA-N -1 0 525.388 5.864 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(C)c4)ccc4ccccc43)C2=O)cc1 ZINC000408805325 1069953352 /nfs/dbraw/zinc/95/33/52/1069953352.db2.gz AAISOTIWZGQSLQ-OVVQPSECSA-N -1 0 534.568 5.570 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408806223 1069955821 /nfs/dbraw/zinc/95/58/21/1069955821.db2.gz MEHBYWMSJBRFMX-WPWMEQJKSA-N -1 0 536.584 5.801 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408808719 1069960538 /nfs/dbraw/zinc/96/05/38/1069960538.db2.gz FTDHFWAKTGTLAY-VXLYETTFSA-N -1 0 590.655 6.110 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408813380 1069957093 /nfs/dbraw/zinc/95/70/93/1069957093.db2.gz MZNKXPSMQXYONE-UDWIEESQSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408807723 1069957199 /nfs/dbraw/zinc/95/71/99/1069957199.db2.gz DYWCTSFOJINUCV-LZYBPNLTSA-N -1 0 506.748 5.860 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408807756 1069957345 /nfs/dbraw/zinc/95/73/45/1069957345.db2.gz KWPISWQMXGJSCL-YBFXNURJSA-N -1 0 545.806 6.291 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2cccc3ccccc32)c1 ZINC000408807728 1069957472 /nfs/dbraw/zinc/95/74/72/1069957472.db2.gz HLZOFIWRSNRWBS-JVWAILMASA-N -1 0 506.558 5.711 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)c(Cl)c2)C1=O ZINC000408808353 1069958784 /nfs/dbraw/zinc/95/87/84/1069958784.db2.gz FRDZVQFUQNLZTI-HYARGMPZSA-N -1 0 531.395 6.700 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000408808111 1069958929 /nfs/dbraw/zinc/95/89/29/1069958929.db2.gz FAKVWBVVORIFME-HYARGMPZSA-N -1 0 545.422 7.009 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408808524 1069959011 /nfs/dbraw/zinc/95/90/11/1069959011.db2.gz JFWMTVDPVSQTPF-CVKSISIWSA-N -1 0 569.057 7.063 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408808444 1069959052 /nfs/dbraw/zinc/95/90/52/1069959052.db2.gz IUZRULAUIPUTIH-WSDLNYQXSA-N -1 0 596.421 5.470 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000408808645 1069959507 /nfs/dbraw/zinc/95/95/07/1069959507.db2.gz JTIYHBDJIYEGOH-ZVHZXABRSA-N -1 0 533.422 5.928 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408808849 1069960397 /nfs/dbraw/zinc/96/03/97/1069960397.db2.gz GOIMTBKQKHGQJV-YBFXNURJSA-N -1 0 525.388 5.864 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408809500 1069962395 /nfs/dbraw/zinc/96/23/95/1069962395.db2.gz RUEOBMKZCGECSA-ZVHZXABRSA-N -1 0 541.003 6.364 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408809840 1069963094 /nfs/dbraw/zinc/96/30/94/1069963094.db2.gz SAZNRTKCGVBGNN-RGVLZGJSSA-N -1 0 661.290 5.925 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000408811731 1069966055 /nfs/dbraw/zinc/96/60/55/1069966055.db2.gz OFDLRRQVURGZIN-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408810226 1069963866 /nfs/dbraw/zinc/96/38/66/1069963866.db2.gz LUDXFQZICQOSDF-VUTHCHCSSA-N -1 0 542.591 6.555 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408810729 1069964619 /nfs/dbraw/zinc/96/46/19/1069964619.db2.gz KKSFKGHRUGLHEV-AJBULDERSA-N -1 0 599.599 6.572 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408810798 1069964749 /nfs/dbraw/zinc/96/47/49/1069964749.db2.gz UURPOWAKHHAUOB-LPYMAVHISA-N -1 0 504.970 5.601 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000408809662 1069962122 /nfs/dbraw/zinc/96/21/22/1069962122.db2.gz HQHCZGZIRDHKNP-VXLYETTFSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)[N-]C2=S)c1 ZINC000408812347 1069967484 /nfs/dbraw/zinc/96/74/84/1069967484.db2.gz ONVARBCABOPNSF-OVVQPSECSA-N -1 0 624.788 6.517 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1Cl ZINC000408812021 1069967602 /nfs/dbraw/zinc/96/76/02/1069967602.db2.gz MMXXDZGBBJNLOU-ZVHZXABRSA-N -1 0 589.873 7.118 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000408816855 1069973321 /nfs/dbraw/zinc/97/33/21/1069973321.db2.gz SMKHOBZOTJYQBZ-WOJGMQOQSA-N -1 0 543.776 5.795 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408817042 1069973840 /nfs/dbraw/zinc/97/38/40/1069973840.db2.gz VDWQNNRGSWDFNM-UDWIEESQSA-N -1 0 541.785 5.357 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408817709 1069975482 /nfs/dbraw/zinc/97/54/82/1069975482.db2.gz UJAUHAKZGRIRRO-VCHYOVAHSA-N -1 0 580.649 6.655 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408818390 1069976157 /nfs/dbraw/zinc/97/61/57/1069976157.db2.gz XUBBFOUKBCCLJX-CIAFOILYSA-N -1 0 580.391 5.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408819057 1069978402 /nfs/dbraw/zinc/97/84/02/1069978402.db2.gz WNLQFPQZTXWKNX-XQNSMLJCSA-N -1 0 541.003 6.446 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408813546 1069978493 /nfs/dbraw/zinc/97/84/93/1069978493.db2.gz QQIXVSSCUYTPJF-YBFXNURJSA-N -1 0 529.351 5.777 40 10 KKCBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408813694 1069978886 /nfs/dbraw/zinc/97/88/86/1069978886.db2.gz QZCDJDZBPXWIAP-RIYZIHGNSA-N -1 0 589.213 5.452 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000408815192 1069981907 /nfs/dbraw/zinc/98/19/07/1069981907.db2.gz PQUGCOHQCURVPF-LPYMAVHISA-N -1 0 550.365 5.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408822472 1069983589 /nfs/dbraw/zinc/98/35/89/1069983589.db2.gz BUXXREGVJANQIL-DHRITJCHSA-N -1 0 775.277 8.742 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408823352 1069987750 /nfs/dbraw/zinc/98/77/50/1069987750.db2.gz FAZGTLCPXIWOED-VULFUBBASA-N -1 0 710.350 7.184 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408822703 1069984430 /nfs/dbraw/zinc/98/44/30/1069984430.db2.gz LXILEULFMNNGLQ-ZMOGYAJESA-N -1 0 686.375 8.523 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408822843 1069984452 /nfs/dbraw/zinc/98/44/52/1069984452.db2.gz CDWMVZHGLFIULJ-FYJGNVAPSA-N -1 0 555.414 6.036 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Cl)c1OC ZINC000408823008 1069985093 /nfs/dbraw/zinc/98/50/93/1069985093.db2.gz DCIZFSGOLAHODK-CIAFOILYSA-N -1 0 585.838 5.755 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OC(C)C ZINC000408823319 1069987578 /nfs/dbraw/zinc/98/75/78/1069987578.db2.gz DWFOZMCEAHAEFL-MLPAPPSSSA-N -1 0 517.287 5.474 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408823183 1069986764 /nfs/dbraw/zinc/98/67/64/1069986764.db2.gz DBXNKTRWYNLQCB-MFKUBSTISA-N -1 0 591.422 6.957 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408824112 1069990538 /nfs/dbraw/zinc/99/05/38/1069990538.db2.gz PMQLIBDSTWCYIQ-IUXPMGMMSA-N -1 0 644.227 7.029 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408824265 1069991615 /nfs/dbraw/zinc/99/16/15/1069991615.db2.gz GMTSBFSZSXPKIB-UNOMPAQXSA-N -1 0 514.887 5.913 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408819890 1069993226 /nfs/dbraw/zinc/99/32/26/1069993226.db2.gz YUYQBQALRYZVQR-AFUMVMLFSA-N -1 0 743.381 7.821 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408820922 1069994466 /nfs/dbraw/zinc/99/44/66/1069994466.db2.gz ANPMWFUNPCABQY-GRSHGNNSSA-N -1 0 609.782 6.375 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCC ZINC000408821239 1069996146 /nfs/dbraw/zinc/99/61/46/1069996146.db2.gz FCYQQTBGBRUNNW-OEAKJJBVSA-N -1 0 626.447 5.642 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408821484 1069997812 /nfs/dbraw/zinc/99/78/12/1069997812.db2.gz IAVBKRMWQMESCK-MUFRIFMGSA-N -1 0 781.441 7.894 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408821728 1069999228 /nfs/dbraw/zinc/99/92/28/1069999228.db2.gz ALOZVSXAPXXGMZ-PCLIKHOPSA-N -1 0 607.877 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408822006 1070000145 /nfs/dbraw/zinc/00/01/45/1070000145.db2.gz ADDTVHCUJXXIDI-HQUZLPEBSA-N -1 0 774.715 9.725 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)ccc1OC(C)C ZINC000408827138 1070005554 /nfs/dbraw/zinc/00/55/54/1070005554.db2.gz MFBJLPBYKGKRME-FQTRUMNCSA-N -1 0 641.768 7.417 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408825147 1070012147 /nfs/dbraw/zinc/01/21/47/1070012147.db2.gz RNVLAYDQOXZXRP-FRLHZODGSA-N -1 0 793.147 10.169 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408824449 1070009643 /nfs/dbraw/zinc/00/96/43/1070009643.db2.gz QGQSBAKUKDYNHB-IUXPMGMMSA-N -1 0 604.195 7.564 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408824514 1070009942 /nfs/dbraw/zinc/00/99/42/1070009942.db2.gz HZYXVMVNTGQGAA-AFUMVMLFSA-N -1 0 682.354 7.589 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408824902 1070011133 /nfs/dbraw/zinc/01/11/33/1070011133.db2.gz BTGWZVBILUOMRF-CTHKJOMYSA-N -1 0 621.715 5.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408825001 1070011163 /nfs/dbraw/zinc/01/11/63/1070011163.db2.gz IQOOOYDWPNOIDI-UMWWRZFZSA-N -1 0 759.100 9.226 40 10 KKCBRM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408825146 1070011801 /nfs/dbraw/zinc/01/18/01/1070011801.db2.gz AIXWOJDMPNKVSU-KWKGDJNYSA-N -1 0 648.557 7.002 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408825312 1070012541 /nfs/dbraw/zinc/01/25/41/1070012541.db2.gz JOJPHVLALZLUQB-OCSSWDANSA-N -1 0 756.447 8.506 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408829397 1070016026 /nfs/dbraw/zinc/01/60/26/1070016026.db2.gz FVANFPJCMBIZFF-ZMOGYAJESA-N -1 0 731.224 8.343 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000408825605 1070013350 /nfs/dbraw/zinc/01/33/50/1070013350.db2.gz KJTLLJBRJYJNDX-CVKSISIWSA-N -1 0 652.328 7.580 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408831349 1070020332 /nfs/dbraw/zinc/02/03/32/1070020332.db2.gz ZLCZZOOINRKHQL-ZDLGFXPLSA-N -1 0 553.295 6.397 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c(OC)cc1Cl ZINC000408831384 1070020525 /nfs/dbraw/zinc/02/05/25/1070020525.db2.gz QPXUEJYJNVQPMR-CXUHLZMHSA-N -1 0 640.701 6.672 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408831485 1070021091 /nfs/dbraw/zinc/02/10/91/1070021091.db2.gz PNACVLPRAUMSML-JVWAILMASA-N -1 0 652.328 7.580 40 10 KKCBRM CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408831545 1070021258 /nfs/dbraw/zinc/02/12/58/1070021258.db2.gz PPRPULVWHMVRPZ-SVUXJTORSA-N -1 0 627.741 7.028 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408831988 1070021785 /nfs/dbraw/zinc/02/17/85/1070021785.db2.gz QOJCHIBHQGZXIS-UMWWRZFZSA-N -1 0 801.681 8.423 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1Br ZINC000408832035 1070022641 /nfs/dbraw/zinc/02/26/41/1070022641.db2.gz PSSAAPDZOXMASZ-LPYMAVHISA-N -1 0 569.839 6.135 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408836279 1070026725 /nfs/dbraw/zinc/02/67/25/1070026725.db2.gz ZYRYCTBPYHWEKR-VULFUBBASA-N -1 0 670.318 7.719 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OC ZINC000408828598 1070025991 /nfs/dbraw/zinc/02/59/91/1070025991.db2.gz NDHAEHLYAWDVDL-UDWIEESQSA-N -1 0 632.838 5.597 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408836521 1070027603 /nfs/dbraw/zinc/02/76/03/1070027603.db2.gz SCOACOXESXMZCC-AVWBWWNXSA-N -1 0 734.809 8.117 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408836508 1070027679 /nfs/dbraw/zinc/02/76/79/1070027679.db2.gz RXUCRVJSKBONAY-JFLMPSFJSA-N -1 0 692.481 6.572 40 10 KKCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408836889 1070029097 /nfs/dbraw/zinc/02/90/97/1070029097.db2.gz WRYWAPGBCFQJCV-IELYTUAKSA-N -1 0 676.611 7.782 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408837658 1070031774 /nfs/dbraw/zinc/03/17/74/1070031774.db2.gz KTGICOSQMIQOEQ-POKSHJSXSA-N -1 0 638.145 5.695 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408835314 1070036825 /nfs/dbraw/zinc/03/68/25/1070036825.db2.gz YJXYHYSHVVBZEC-DHRITJCHSA-N -1 0 697.325 7.489 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408835989 1070039158 /nfs/dbraw/zinc/03/91/58/1070039158.db2.gz OYLDHOMSZIROHK-JVWAILMASA-N -1 0 674.491 6.433 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408835928 1070039202 /nfs/dbraw/zinc/03/92/02/1070039202.db2.gz YZSCWVLFTBCOLI-XZMUYXFLSA-N -1 0 774.317 9.933 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408836103 1070039771 /nfs/dbraw/zinc/03/97/71/1070039771.db2.gz ZEULLGMXYYMYIP-UFXSVIFDSA-N -1 0 714.649 9.116 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408835457 1070037689 /nfs/dbraw/zinc/03/76/89/1070037689.db2.gz YTVFXUNXQQWHMC-SWIRUNBASA-N -1 0 803.153 9.624 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408835468 1070037831 /nfs/dbraw/zinc/03/78/31/1070037831.db2.gz XNFLYFJBXDFXBL-MTJSOVHGSA-N -1 0 629.816 7.520 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000408845564 1070052182 /nfs/dbraw/zinc/05/21/82/1070052182.db2.gz GOEMKTBZQGFPOU-FOWTUZBSSA-N -1 0 501.366 5.543 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1C ZINC000408844627 1070050361 /nfs/dbraw/zinc/05/03/61/1070050361.db2.gz KOBNTICGZBDUEL-ZMOGYAJESA-N -1 0 728.324 6.911 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408846524 1070053837 /nfs/dbraw/zinc/05/38/37/1070053837.db2.gz NVKPCBIVLXMNNY-AWNIVKPZSA-N -1 0 621.156 8.017 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000408852716 1070059629 /nfs/dbraw/zinc/05/96/29/1070059629.db2.gz MSHVPUAIUIGESJ-YBFXNURJSA-N -1 0 602.326 7.864 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408848703 1070061517 /nfs/dbraw/zinc/06/15/17/1070061517.db2.gz SLIVCFKWZLOXJU-XDHOZWIPSA-N -1 0 524.404 5.967 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408843423 1070057554 /nfs/dbraw/zinc/05/75/54/1070057554.db2.gz FKWUKYQUKJIQMI-OVCLIPMQSA-N -1 0 686.165 6.837 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408850860 1070064955 /nfs/dbraw/zinc/06/49/55/1070064955.db2.gz SJQSVOBIQYBDKM-WSDLNYQXSA-N -1 0 628.317 6.473 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1C ZINC000408851554 1070066523 /nfs/dbraw/zinc/06/65/23/1070066523.db2.gz CSSKQVSKHUGDOB-ZMOGYAJESA-N -1 0 634.324 7.227 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1C ZINC000408853663 1070070567 /nfs/dbraw/zinc/07/05/67/1070070567.db2.gz WEDMEHFGPHXZLF-MFKUBSTISA-N -1 0 602.428 6.307 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1C ZINC000408853514 1070070784 /nfs/dbraw/zinc/07/07/84/1070070784.db2.gz OXJPERKAFYRXAR-RGVLZGJSSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408854008 1070072063 /nfs/dbraw/zinc/07/20/63/1070072063.db2.gz VKULGEPMTHRNPW-LICLKQGHSA-N -1 0 624.315 6.704 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000408855172 1070073934 /nfs/dbraw/zinc/07/39/34/1070073934.db2.gz CXQUEAQOMJFMTO-GXDHUFHOSA-N -1 0 502.335 5.301 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408859592 1070075868 /nfs/dbraw/zinc/07/58/68/1070075868.db2.gz VKQCKCPQCBPHMN-VULFUBBASA-N -1 0 527.020 6.734 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408859468 1070075943 /nfs/dbraw/zinc/07/59/43/1070075943.db2.gz XBNKZWOHHVGMJP-DJKKODMXSA-N -1 0 608.247 6.539 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC ZINC000408855909 1070074989 /nfs/dbraw/zinc/07/49/89/1070074989.db2.gz HBZQOGQMGFQKIH-XYOKQWHBSA-N -1 0 591.254 5.227 40 10 KKCBRM COc1cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408865258 1070082704 /nfs/dbraw/zinc/08/27/04/1070082704.db2.gz CICWATFITZRWCR-UZEJHQAJSA-N -1 0 575.286 7.868 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408866673 1070086018 /nfs/dbraw/zinc/08/60/18/1070086018.db2.gz HUIHMUCRJXKOQV-OGLMXYFKSA-N -1 0 629.482 6.823 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408866713 1070086154 /nfs/dbraw/zinc/08/61/54/1070086154.db2.gz IGYSKJOYRZCIFA-KEBDBYFISA-N -1 0 604.803 5.740 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408867493 1070087595 /nfs/dbraw/zinc/08/75/95/1070087595.db2.gz KCTGVGUBXINIJJ-DJKKODMXSA-N -1 0 665.709 6.281 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)cc3)C2=O)cc1 ZINC000408867628 1070088387 /nfs/dbraw/zinc/08/83/87/1070088387.db2.gz KVXYIBOLDFAIRC-CJLVFECKSA-N -1 0 505.368 5.105 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408868152 1070088640 /nfs/dbraw/zinc/08/86/40/1070088640.db2.gz LPZBNPMKBLFJBV-DHDCSXOGSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1ccccc1Br ZINC000408868946 1070090151 /nfs/dbraw/zinc/09/01/51/1070090151.db2.gz QBPGXPKFLJVUMT-CIAFOILYSA-N -1 0 539.813 5.758 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408871251 1070095451 /nfs/dbraw/zinc/09/54/51/1070095451.db2.gz YZDWGZYRAVXRPT-HMAPJEAMSA-N -1 0 505.437 5.488 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408872065 1070096538 /nfs/dbraw/zinc/09/65/38/1070096538.db2.gz JXMODXGBECXQCG-CIAFOILYSA-N -1 0 600.384 5.095 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408872275 1070097060 /nfs/dbraw/zinc/09/70/60/1070097060.db2.gz CHRVDBIQWJRHRU-RGVLZGJSSA-N -1 0 539.371 5.046 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408872543 1070097751 /nfs/dbraw/zinc/09/77/51/1070097751.db2.gz GAQQJCCBWTYCEL-HMAPJEAMSA-N -1 0 518.997 5.855 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408872644 1070097782 /nfs/dbraw/zinc/09/77/82/1070097782.db2.gz IBTBCBNOFXFCGW-CIAFOILYSA-N -1 0 584.385 5.395 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408872579 1070098008 /nfs/dbraw/zinc/09/80/08/1070098008.db2.gz GRYMVAPCPLRNRV-RGVLZGJSSA-N -1 0 600.263 5.573 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(Cc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000408873926 1070099675 /nfs/dbraw/zinc/09/96/75/1070099675.db2.gz XIVJZJORIMGIKC-LFVJCYFKSA-N -1 0 515.396 6.712 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000408874624 1070102337 /nfs/dbraw/zinc/10/23/37/1070102337.db2.gz CRVMQDYSCQWAQR-NDENLUEZSA-N -1 0 535.940 5.065 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408880858 1070103144 /nfs/dbraw/zinc/10/31/44/1070103144.db2.gz JDFDFVUUQBGIRO-OEAKJJBVSA-N -1 0 504.970 5.601 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)c1 ZINC000408880058 1070104835 /nfs/dbraw/zinc/10/48/35/1070104835.db2.gz GUAUKLJEQJAVNC-UDWIEESQSA-N -1 0 553.840 6.273 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408880169 1070105870 /nfs/dbraw/zinc/10/58/70/1070105870.db2.gz GIJMYFWRSCNUGQ-DJKKODMXSA-N -1 0 604.682 6.131 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408880467 1070107277 /nfs/dbraw/zinc/10/72/77/1070107277.db2.gz JERFWZIICOAXNE-BUVRLJJBSA-N -1 0 517.423 5.886 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408875844 1070108065 /nfs/dbraw/zinc/10/80/65/1070108065.db2.gz LWMLTWYTFOSVMP-CIAFOILYSA-N -1 0 551.412 5.861 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408875907 1070108573 /nfs/dbraw/zinc/10/85/73/1070108573.db2.gz MIGYUUQMMJHWRM-CIAFOILYSA-N -1 0 537.385 5.471 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3cccc(F)c3)C2=O)c(C)c1 ZINC000408876527 1070110299 /nfs/dbraw/zinc/11/02/99/1070110299.db2.gz LXPLEVGEUJMQQF-HYARGMPZSA-N -1 0 507.359 5.462 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408877077 1070111248 /nfs/dbraw/zinc/11/12/48/1070111248.db2.gz PLCKLVSMJZNDPS-PDGQHHTCSA-N -1 0 562.272 6.166 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408877848 1070112802 /nfs/dbraw/zinc/11/28/02/1070112802.db2.gz UVXKZJMQDZDPDX-YVLHZVERSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408878072 1070113592 /nfs/dbraw/zinc/11/35/92/1070113592.db2.gz WGJVHAGFRQSXQD-CIAFOILYSA-N -1 0 581.394 5.031 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000408878695 1070115136 /nfs/dbraw/zinc/11/51/36/1070115136.db2.gz CVHAMZFIEDGLQK-PXLXIMEGSA-N -1 0 531.395 6.700 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408878538 1070115265 /nfs/dbraw/zinc/11/52/65/1070115265.db2.gz AHZGXGVXMQCEHT-LICLKQGHSA-N -1 0 681.708 6.270 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(Br)c3)C2=O)c(C)c1 ZINC000408883438 1070116885 /nfs/dbraw/zinc/11/68/85/1070116885.db2.gz RCQKTNZLGVTAHA-UDWIEESQSA-N -1 0 523.814 5.977 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408884167 1070118631 /nfs/dbraw/zinc/11/86/31/1070118631.db2.gz SYKDGGVWZFUZTJ-CIAFOILYSA-N -1 0 689.300 5.496 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408884787 1070119141 /nfs/dbraw/zinc/11/91/41/1070119141.db2.gz VTMJQNFHQBZBRA-RGVLZGJSSA-N -1 0 511.361 5.556 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408884448 1070119158 /nfs/dbraw/zinc/11/91/58/1070119158.db2.gz ZHKQYNAYRITTIE-SFQUDFHCSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408885047 1070120290 /nfs/dbraw/zinc/12/02/90/1070120290.db2.gz WRAWTBFHVFTQBG-OEAKJJBVSA-N -1 0 505.368 5.029 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408881153 1070123462 /nfs/dbraw/zinc/12/34/62/1070123462.db2.gz IFYRODLYUBFTEQ-SRZZPIQSSA-N -1 0 584.385 5.313 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000408886049 1070123537 /nfs/dbraw/zinc/12/35/37/1070123537.db2.gz HJQOFZHGOGJHMO-XDHOZWIPSA-N -1 0 590.655 6.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408881509 1070124231 /nfs/dbraw/zinc/12/42/31/1070124231.db2.gz LMKUBRPIQWBBRE-YBFXNURJSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1ccccc1Cl ZINC000408881327 1070124244 /nfs/dbraw/zinc/12/42/44/1070124244.db2.gz IVAMYWDHUVKNDP-CIAFOILYSA-N -1 0 509.389 5.958 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408883215 1070128660 /nfs/dbraw/zinc/12/86/60/1070128660.db2.gz RZDVQNVHAHOEHY-LPYMAVHISA-N -1 0 613.486 5.207 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OCc2ccccc2Br)c1 ZINC000408888294 1070129214 /nfs/dbraw/zinc/12/92/14/1070129214.db2.gz YRPUJJJKXPPMOB-DEDYPNTBSA-N -1 0 521.367 5.012 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Br ZINC000408888184 1070129229 /nfs/dbraw/zinc/12/92/29/1070129229.db2.gz XSRCSFZWXJOOJD-CPNJWEJPSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1Cc1ccccc1Br ZINC000408882497 1070126058 /nfs/dbraw/zinc/12/60/58/1070126058.db2.gz QGSPIRKNSRUIKZ-FYJGNVAPSA-N -1 0 584.264 5.868 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Cl)c1 ZINC000408882119 1070126128 /nfs/dbraw/zinc/12/61/28/1070126128.db2.gz LFYHWTUBFDLABC-YBFXNURJSA-N -1 0 511.759 5.065 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408882678 1070126823 /nfs/dbraw/zinc/12/68/23/1070126823.db2.gz QEEJUNDXDZDYAD-OVVQPSECSA-N -1 0 566.585 6.049 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408888825 1070130129 /nfs/dbraw/zinc/13/01/29/1070130129.db2.gz BISKKBONAUGITR-DEDYPNTBSA-N -1 0 555.812 5.747 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408888480 1070130319 /nfs/dbraw/zinc/13/03/19/1070130319.db2.gz VWCAGRKCVCDRIP-VCHYOVAHSA-N -1 0 602.235 5.171 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891361 1070134984 /nfs/dbraw/zinc/13/49/84/1070134984.db2.gz PJBLGACUNLRJEN-WGOQTCKBSA-N -1 0 753.387 7.277 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408890409 1070133358 /nfs/dbraw/zinc/13/33/58/1070133358.db2.gz SOLQHNCMCIWHLS-WJDWOHSUSA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408890940 1070133996 /nfs/dbraw/zinc/13/39/96/1070133996.db2.gz IQXGHTFGEKLSSA-UDWIEESQSA-N -1 0 585.838 5.755 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1Cl ZINC000408891179 1070134752 /nfs/dbraw/zinc/13/47/52/1070134752.db2.gz MQQWVPUQJLNAEZ-YBFXNURJSA-N -1 0 515.780 6.201 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Br)C1=O ZINC000408891334 1070134905 /nfs/dbraw/zinc/13/49/05/1070134905.db2.gz OTTSSVZEUDQWEU-ZHZULCJRSA-N -1 0 539.813 5.910 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408894020 1070141280 /nfs/dbraw/zinc/14/12/80/1070141280.db2.gz CXGMBRPRFVBOLK-XKZIYDEJSA-N -1 0 535.394 5.320 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408895316 1070146049 /nfs/dbraw/zinc/14/60/49/1070146049.db2.gz FCJMUMNLULGRFE-MTJSOVHGSA-N -1 0 695.337 7.031 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408894565 1070143658 /nfs/dbraw/zinc/14/36/58/1070143658.db2.gz JPEKKTUUSBORPS-YBFXNURJSA-N -1 0 634.708 6.509 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)c1 ZINC000408896562 1070151177 /nfs/dbraw/zinc/15/11/77/1070151177.db2.gz OILNPAUTDVJSGO-LFVJCYFKSA-N -1 0 510.977 6.355 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408895913 1070148487 /nfs/dbraw/zinc/14/84/87/1070148487.db2.gz MESGNSGDLATYJJ-UDWIEESQSA-N -1 0 545.400 5.044 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)cc1 ZINC000408895869 1070148497 /nfs/dbraw/zinc/14/84/97/1070148497.db2.gz FXJXYMDVAUZKMT-ULJHMMPZSA-N -1 0 549.421 5.873 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408899302 1070156681 /nfs/dbraw/zinc/15/66/81/1070156681.db2.gz OFHDXUYECYYZPT-IWIPYMOSSA-N -1 0 593.474 6.190 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408899247 1070156694 /nfs/dbraw/zinc/15/66/94/1070156694.db2.gz ONXLATNRWKGSGI-SRZZPIQSSA-N -1 0 569.839 5.973 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408899356 1070156913 /nfs/dbraw/zinc/15/69/13/1070156913.db2.gz OSGLMSSNNGFYBI-HAHDFKILSA-N -1 0 614.290 6.246 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408900164 1070161616 /nfs/dbraw/zinc/16/16/16/1070161616.db2.gz TVBWMUZYFFZXIO-UNOMPAQXSA-N -1 0 527.429 5.802 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Cl)cc1 ZINC000408899409 1070157655 /nfs/dbraw/zinc/15/76/55/1070157655.db2.gz PBJHVUDCCWHIBQ-UNOMPAQXSA-N -1 0 589.851 5.153 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408900157 1070161736 /nfs/dbraw/zinc/16/17/36/1070161736.db2.gz RTFGOHAPDCYBCX-ODLFYWEKSA-N -1 0 711.328 5.113 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)c(Br)c2)C1=O ZINC000408899604 1070159469 /nfs/dbraw/zinc/15/94/69/1070159469.db2.gz VCKFVJGSEZISEI-ODLFYWEKSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408900748 1070165052 /nfs/dbraw/zinc/16/50/52/1070165052.db2.gz UMKVADXYLPUPQN-JCMHNJIXSA-N -1 0 539.415 6.418 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408901155 1070166720 /nfs/dbraw/zinc/16/67/20/1070166720.db2.gz WKVGNMRAHRNGOQ-ITYLOYPMSA-N -1 0 541.003 6.527 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408901146 1070166732 /nfs/dbraw/zinc/16/67/32/1070166732.db2.gz WHVIXOCRXDFKPH-PKAZHMFMSA-N -1 0 629.507 7.035 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408901149 1070166802 /nfs/dbraw/zinc/16/68/02/1070166802.db2.gz WIDZUASQSJEWOY-ZDLGFXPLSA-N -1 0 634.708 6.427 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408901129 1070166833 /nfs/dbraw/zinc/16/68/33/1070166833.db2.gz VZXGJLIJGGPUAN-IWIPYMOSSA-N -1 0 685.471 6.022 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408901153 1070166851 /nfs/dbraw/zinc/16/68/51/1070166851.db2.gz WKARJPUGJLPLIZ-JLPGSUDCSA-N -1 0 657.539 5.769 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000408901294 1070167824 /nfs/dbraw/zinc/16/78/24/1070167824.db2.gz WWWMGXOCWBYHKH-HAHDFKILSA-N -1 0 522.960 5.903 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408901536 1070168580 /nfs/dbraw/zinc/16/85/80/1070168580.db2.gz YQFNEEVSFDEDIO-UNOMPAQXSA-N -1 0 600.263 5.774 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408901513 1070168634 /nfs/dbraw/zinc/16/86/34/1070168634.db2.gz YIYVOSCYBZZJMB-XKZIYDEJSA-N -1 0 617.913 7.470 40 10 KKCBRM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408897849 1070173282 /nfs/dbraw/zinc/17/32/82/1070173282.db2.gz OMYCJIWJMVVMNF-BKUYFWCQSA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408898137 1070174061 /nfs/dbraw/zinc/17/40/61/1070174061.db2.gz UWRYTAABULBWIH-UDWIEESQSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1O[C@H](C)CC ZINC000408903714 1070188013 /nfs/dbraw/zinc/18/80/13/1070188013.db2.gz XEOJDAQAMRGMOS-VGSSETLESA-N -1 0 613.246 5.296 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000408909586 1070198739 /nfs/dbraw/zinc/19/87/39/1070198739.db2.gz HFWMUQXOVAHHCG-VXLYETTFSA-N -1 0 621.200 5.438 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408916307 1070219610 /nfs/dbraw/zinc/21/96/10/1070219610.db2.gz BOPFCXAQZWFLHF-OYKKKHCWSA-N -1 0 605.485 6.550 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408933562 1070266177 /nfs/dbraw/zinc/26/61/77/1070266177.db2.gz AUSYSDVODXTTSK-YUMHPJSZSA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408934578 1070270322 /nfs/dbraw/zinc/27/03/22/1070270322.db2.gz FDJBQWKSYNXVQA-ZMOGYAJESA-N -1 0 625.867 7.610 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408935171 1070272406 /nfs/dbraw/zinc/27/24/06/1070272406.db2.gz HDFUTQZQOHFMEP-YZSQISJMSA-N -1 0 681.948 6.424 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408936858 1070277929 /nfs/dbraw/zinc/27/79/29/1070277929.db2.gz LDYXHRRGFLMVEQ-WGOQTCKBSA-N -1 0 635.873 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408940068 1070284848 /nfs/dbraw/zinc/28/48/48/1070284848.db2.gz UBAZJHXMLPDTMR-VEILYXNESA-N -1 0 522.532 5.650 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408941598 1070289425 /nfs/dbraw/zinc/28/94/25/1070289425.db2.gz XHSHCWZQCNSEMF-JFLMPSFJSA-N -1 0 726.926 7.307 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408937046 1070289780 /nfs/dbraw/zinc/28/97/80/1070289780.db2.gz MERUZWFUXQLBBR-BIZUNTBRSA-N -1 0 651.546 8.588 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408942211 1070302011 /nfs/dbraw/zinc/30/20/11/1070302011.db2.gz YFGUDCSIXUJUOR-OCKHKDLRSA-N -1 0 637.836 6.992 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408942147 1070302120 /nfs/dbraw/zinc/30/21/20/1070302120.db2.gz XTSHEOYDTOCKBE-MFKUBSTISA-N -1 0 679.926 7.465 40 10 KKCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408948814 1070313836 /nfs/dbraw/zinc/31/38/36/1070313836.db2.gz GYVKYOGBOPVAKD-LSHDLFTRSA-N -1 0 539.459 6.526 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000408954578 1070317932 /nfs/dbraw/zinc/31/79/32/1070317932.db2.gz RPRGRHWRLLIMFK-RWPZCVJISA-N -1 0 610.110 6.492 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O ZINC000408957084 1070324685 /nfs/dbraw/zinc/32/46/85/1070324685.db2.gz ZZLRXUMOUXOEFW-LSHDLFTRSA-N -1 0 551.437 5.298 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408966656 1070326251 /nfs/dbraw/zinc/32/62/51/1070326251.db2.gz NIHGUQZYBXNQQD-LZYBPNLTSA-N -1 0 506.361 5.510 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408983714 1070339021 /nfs/dbraw/zinc/33/90/21/1070339021.db2.gz NSIRRKLYTZOKPW-DICXZTSXSA-N -1 0 558.009 6.440 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408984018 1070338319 /nfs/dbraw/zinc/33/83/19/1070338319.db2.gz PHUCXQFZWXUNAR-JMIUGGIZSA-N -1 0 695.735 6.660 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)cc1Cl ZINC000408981876 1070339669 /nfs/dbraw/zinc/33/96/69/1070339669.db2.gz DFUYWTNTQSNPRR-IUXPMGMMSA-N -1 0 733.127 6.756 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408982104 1070339952 /nfs/dbraw/zinc/33/99/52/1070339952.db2.gz FTFNBOOEAYVMDL-JMIUGGIZSA-N -1 0 634.829 6.036 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408982414 1070340458 /nfs/dbraw/zinc/34/04/58/1070340458.db2.gz GWTQLVZPIFRWBP-MTJSOVHGSA-N -1 0 525.388 5.810 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C2=O)cc1 ZINC000408983286 1070342455 /nfs/dbraw/zinc/34/24/55/1070342455.db2.gz LEFCMYUOFWBRKU-VEILYXNESA-N -1 0 554.046 6.555 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408985441 1070345954 /nfs/dbraw/zinc/34/59/54/1070345954.db2.gz WVPQKYQIQYDLHT-OCKHKDLRSA-N -1 0 620.802 5.646 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1Cl ZINC000408986514 1070348324 /nfs/dbraw/zinc/34/83/24/1070348324.db2.gz MLLQVHUQCYVETJ-GRSHGNNSSA-N -1 0 543.776 5.795 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408990964 1070357084 /nfs/dbraw/zinc/35/70/84/1070357084.db2.gz MDEPSCYTHCRDSW-UZBYXMDDSA-N -1 0 683.793 6.175 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408990078 1070355099 /nfs/dbraw/zinc/35/50/99/1070355099.db2.gz VEZMUMWEJFUWPC-OXDPQRGISA-N -1 0 621.715 5.066 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408993129 1070368037 /nfs/dbraw/zinc/36/80/37/1070368037.db2.gz URLUZJOTAHFCFR-ZVHZXABRSA-N -1 0 566.595 5.454 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)[N-]C2=S)cc1 ZINC000408994053 1070369923 /nfs/dbraw/zinc/36/99/23/1070369923.db2.gz FKCSVGQECHZSLR-WOJGMQOQSA-N -1 0 699.248 7.500 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409009124 1070386561 /nfs/dbraw/zinc/38/65/61/1070386561.db2.gz WOLMRFMSGMSFAI-STBIYBPSSA-N -1 0 553.659 6.260 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409011326 1070388982 /nfs/dbraw/zinc/38/89/82/1070388982.db2.gz GCBLGHBRNXFACJ-WPWMEQJKSA-N -1 0 517.610 5.683 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(OC)cc4)C3=O)c1C)CCCC2 ZINC000409018756 1070397042 /nfs/dbraw/zinc/39/70/42/1070397042.db2.gz ZAEFONREVICRFX-PXLXIMEGSA-N -1 0 563.701 5.051 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409020267 1070404579 /nfs/dbraw/zinc/40/45/79/1070404579.db2.gz NHUCMUUXKSBIDR-VULFUBBASA-N -1 0 510.565 6.220 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409025871 1070409652 /nfs/dbraw/zinc/40/96/52/1070409652.db2.gz ZBPPIGABKFCGAU-YBFXNURJSA-N -1 0 635.106 6.220 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409046512 1070446729 /nfs/dbraw/zinc/44/67/29/1070446729.db2.gz LAQNBENOMXXMTC-RGVLZGJSSA-N -1 0 659.243 5.152 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409047567 1070459266 /nfs/dbraw/zinc/45/92/66/1070459266.db2.gz OJMZKDAYQZUKKP-VEILYXNESA-N -1 0 591.620 5.267 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409050480 1070465392 /nfs/dbraw/zinc/46/53/92/1070465392.db2.gz WIZMNNQKXVXKKW-WPWMEQJKSA-N -1 0 626.065 6.002 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409049813 1070463586 /nfs/dbraw/zinc/46/35/86/1070463586.db2.gz XQHDMEVBOQWMFL-JVWAILMASA-N -1 0 717.516 5.871 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000409058142 1070470874 /nfs/dbraw/zinc/47/08/74/1070470874.db2.gz RPURMOOFNLIDED-UDWIEESQSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409067604 1070484084 /nfs/dbraw/zinc/48/40/84/1070484084.db2.gz GEINWOFAXFHGFK-UHFFFAOYSA-N -1 0 562.578 5.946 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409072472 1070498386 /nfs/dbraw/zinc/49/83/86/1070498386.db2.gz NPZVNDXHDYFIED-DEDYPNTBSA-N -1 0 529.868 6.085 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081142 1070503670 /nfs/dbraw/zinc/50/36/70/1070503670.db2.gz GLIRGPDTXYFHLY-RQZCQDPDSA-N -1 0 699.230 6.996 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409091135 1070525829 /nfs/dbraw/zinc/52/58/29/1070525829.db2.gz PONRFQVGFSGCBW-SXGWCWSVSA-N -1 0 566.275 6.379 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409131279 1070550145 /nfs/dbraw/zinc/55/01/45/1070550145.db2.gz MZNTUPQZTUBONQ-OGLMXYFKSA-N -1 0 570.114 6.775 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409133345 1070558266 /nfs/dbraw/zinc/55/82/66/1070558266.db2.gz SMPWAJLLPLKRAN-WSDLNYQXSA-N -1 0 690.918 5.992 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409160414 1070575987 /nfs/dbraw/zinc/57/59/87/1070575987.db2.gz WYLJNVVWUPUHSW-MVYHEMRASA-N -1 0 554.868 7.523 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409166571 1070584409 /nfs/dbraw/zinc/58/44/09/1070584409.db2.gz FMONTBCBLSICCP-GGUMNFRJSA-N -1 0 540.841 7.215 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189156 1070603971 /nfs/dbraw/zinc/60/39/71/1070603971.db2.gz DLIGCFQCQCHIRE-ZVHZXABRSA-N -1 0 682.524 6.185 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183606 1070602481 /nfs/dbraw/zinc/60/24/81/1070602481.db2.gz CIRAQXORCYPGPX-DXNSDCHBSA-N -1 0 700.611 6.306 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186269 1070606873 /nfs/dbraw/zinc/60/68/73/1070606873.db2.gz ZSRIRVYFRFOPMB-VJJKPSKZSA-N -1 0 697.813 7.357 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000409226097 1070643833 /nfs/dbraw/zinc/64/38/33/1070643833.db2.gz SSEWPQCBQKBQQS-CIAFOILYSA-N -1 0 628.863 5.194 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222255 1070649444 /nfs/dbraw/zinc/64/94/44/1070649444.db2.gz CCDZMSSHARSJFZ-CAOOACKPSA-N -1 0 653.700 6.102 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409221776 1070649460 /nfs/dbraw/zinc/64/94/60/1070649460.db2.gz AWPGUGBRABLNKQ-CAOOACKPSA-N -1 0 682.152 6.511 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227955 1070645455 /nfs/dbraw/zinc/64/54/55/1070645455.db2.gz YAOBAMSKOALARJ-VXLYETTFSA-N -1 0 710.706 5.400 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409237045 1070653219 /nfs/dbraw/zinc/65/32/19/1070653219.db2.gz VGPINAHKUZZFNE-KEBDBYFISA-N -1 0 517.960 5.906 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409232721 1070657694 /nfs/dbraw/zinc/65/76/94/1070657694.db2.gz PAKNLCPGWVBYFE-LDADJPATSA-N -1 0 542.817 5.575 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[N-]C1=S ZINC000409241844 1070669142 /nfs/dbraw/zinc/66/91/42/1070669142.db2.gz YYXHLXKPCVPISM-DEDYPNTBSA-N -1 0 520.441 6.136 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254679 1070672803 /nfs/dbraw/zinc/67/28/03/1070672803.db2.gz FBJLGRZJSDOHKW-QRQIAZFYSA-N -1 0 640.092 6.310 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409255347 1070674037 /nfs/dbraw/zinc/67/40/37/1070674037.db2.gz YVQNWGPDATZCAO-LDADJPATSA-N -1 0 509.431 5.346 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1C ZINC000409255867 1070674638 /nfs/dbraw/zinc/67/46/38/1070674638.db2.gz JEIRROSAALVIIB-LSCVHKIXSA-N -1 0 607.277 6.601 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OC ZINC000409257251 1070676785 /nfs/dbraw/zinc/67/67/85/1070676785.db2.gz RSJHJYLCVXSSDY-XYGWBWBKSA-N -1 0 601.656 5.183 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409258291 1070679052 /nfs/dbraw/zinc/67/90/52/1070679052.db2.gz VWLMGNQUMAEXES-AQTBWJFISA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1C ZINC000409264803 1070688097 /nfs/dbraw/zinc/68/80/97/1070688097.db2.gz QNHVYWHVAQBNDP-MTJSOVHGSA-N -1 0 643.357 5.677 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)C1=O ZINC000409265678 1070689683 /nfs/dbraw/zinc/68/96/83/1070689683.db2.gz NQSCLJDBSRJEPC-ATVHPVEESA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409267183 1070691721 /nfs/dbraw/zinc/69/17/21/1070691721.db2.gz MFYWETOERASURE-DJKKODMXSA-N -1 0 682.152 6.511 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409268933 1070694219 /nfs/dbraw/zinc/69/42/19/1070694219.db2.gz ZVIDVMULONABBK-UDWIEESQSA-N -1 0 612.864 5.494 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409260497 1070695597 /nfs/dbraw/zinc/69/55/97/1070695597.db2.gz RAFRPGCOXAYDBO-LPYMAVHISA-N -1 0 622.472 5.157 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OC ZINC000409270697 1070706838 /nfs/dbraw/zinc/70/68/38/1070706838.db2.gz HECUUSUIFCLLEL-JLPGSUDCSA-N -1 0 601.656 5.183 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Br ZINC000408880395 1070788054 /nfs/dbraw/zinc/78/80/54/1070788054.db2.gz ISPUWTNHTYEHFL-ZHZULCJRSA-N -1 0 511.828 5.525 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408880619 1070788185 /nfs/dbraw/zinc/78/81/85/1070788185.db2.gz GGIQQMBESOEVQG-LICLKQGHSA-N -1 0 515.780 5.913 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1 ZINC000408880315 1070789407 /nfs/dbraw/zinc/78/94/07/1070789407.db2.gz HGXBNEQBVITEPN-YBFXNURJSA-N -1 0 545.400 5.044 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(Cc2ccccc2Br)ccc2ccccc21 ZINC000408879808 1070791226 /nfs/dbraw/zinc/79/12/26/1070791226.db2.gz FUAQHSNGEKBZRD-LFVJCYFKSA-N -1 0 545.820 6.513 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408879765 1070791471 /nfs/dbraw/zinc/79/14/71/1070791471.db2.gz FJZPBDLTTOXPAX-CIAFOILYSA-N -1 0 523.416 6.266 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408880865 1070785686 /nfs/dbraw/zinc/78/56/86/1070785686.db2.gz JDNXDSJPBOBLMZ-DEDYPNTBSA-N -1 0 539.357 5.232 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408879595 1070794185 /nfs/dbraw/zinc/79/41/85/1070794185.db2.gz HAKWFVPWBPTHJH-OEAKJJBVSA-N -1 0 532.980 5.379 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000408879176 1070794599 /nfs/dbraw/zinc/79/45/99/1070794599.db2.gz BBZPUOUSUPSVOI-NDENLUEZSA-N -1 0 580.391 5.174 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000408878617 1070798750 /nfs/dbraw/zinc/79/87/50/1070798750.db2.gz CHJNJSZFDWNYSG-LICLKQGHSA-N -1 0 515.324 5.387 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408888975 1070809735 /nfs/dbraw/zinc/80/97/35/1070809735.db2.gz DCULPVOSXSIAJJ-UDWIEESQSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408888797 1070813413 /nfs/dbraw/zinc/81/34/13/1070813413.db2.gz AVNBPGSOEZJYBN-SSDVNMTOSA-N -1 0 594.418 5.618 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408888104 1070816032 /nfs/dbraw/zinc/81/60/32/1070816032.db2.gz SMWYURXAZGCQNS-BUVRLJJBSA-N -1 0 533.422 5.874 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408887980 1070816466 /nfs/dbraw/zinc/81/64/66/1070816466.db2.gz VVYRXTWOCNOEDA-WGOQTCKBSA-N -1 0 521.529 5.610 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408887385 1070819939 /nfs/dbraw/zinc/81/99/39/1070819939.db2.gz QKPYGNPTYLDMOL-WSDLNYQXSA-N -1 0 596.421 5.470 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408887268 1070821020 /nfs/dbraw/zinc/82/10/20/1070821020.db2.gz PCOAXYGZPGINHX-WOJGMQOQSA-N -1 0 633.236 5.308 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408887449 1070821480 /nfs/dbraw/zinc/82/14/80/1070821480.db2.gz QTSSKOVAEPSKIO-GIJQJNRQSA-N -1 0 542.331 5.156 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408897182 1070822780 /nfs/dbraw/zinc/82/27/80/1070822780.db2.gz HYJNECHZECEJCX-HAHDFKILSA-N -1 0 580.391 5.392 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408896700 1070828250 /nfs/dbraw/zinc/82/82/50/1070828250.db2.gz HMGRINBRBRVUIV-UUYOSTAYSA-N -1 0 648.337 7.189 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408896738 1070828311 /nfs/dbraw/zinc/82/83/11/1070828311.db2.gz HRYKPMDANRHBQC-XYGWBWBKSA-N -1 0 577.475 6.490 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C1=O ZINC000408897008 1070825109 /nfs/dbraw/zinc/82/51/09/1070825109.db2.gz MAQUMLABSHQERQ-UNOMPAQXSA-N -1 0 570.237 5.765 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408896786 1070829123 /nfs/dbraw/zinc/82/91/23/1070829123.db2.gz SSVHSPCGGHBKAH-VXLYETTFSA-N -1 0 648.735 6.818 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408896639 1070830453 /nfs/dbraw/zinc/83/04/53/1070830453.db2.gz GTBSJGRQKYQUHV-USHMODERSA-N -1 0 555.030 6.918 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000408895839 1070838530 /nfs/dbraw/zinc/83/85/30/1070838530.db2.gz MAWJOFMFBNNBOZ-YZSQISJMSA-N -1 0 603.052 5.662 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409332331 1070836980 /nfs/dbraw/zinc/83/69/80/1070836980.db2.gz QTCYQSDGDFKXEB-YBFXNURJSA-N -1 0 565.923 6.289 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408895998 1070836930 /nfs/dbraw/zinc/83/69/30/1070836930.db2.gz GINGAKMLOQKIHJ-HAHDFKILSA-N -1 0 569.839 6.137 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408895900 1070839552 /nfs/dbraw/zinc/83/95/52/1070839552.db2.gz GAROIHRAPPDBBX-QRVIBDJDSA-N -1 0 549.421 5.628 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408895564 1070843070 /nfs/dbraw/zinc/84/30/70/1070843070.db2.gz LFUXBWLDSULPGE-UFFVCSGVSA-N -1 0 539.415 6.173 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3)ccc3ccccc32)C1=O ZINC000408895496 1070846066 /nfs/dbraw/zinc/84/60/66/1070846066.db2.gz HXLZFKRRTWLSBS-JLPGSUDCSA-N -1 0 541.401 6.156 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408895325 1070847689 /nfs/dbraw/zinc/84/76/89/1070847689.db2.gz FDIPZXATXGPSFW-JLPGSUDCSA-N -1 0 539.415 6.418 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408895314 1070847906 /nfs/dbraw/zinc/84/79/06/1070847906.db2.gz FBEUVGBKSCNKOC-IWIPYMOSSA-N -1 0 567.013 6.302 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408894600 1070853789 /nfs/dbraw/zinc/85/37/89/1070853789.db2.gz IJWGJEKJUNAHIV-CIAFOILYSA-N -1 0 616.383 5.083 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408894482 1070855604 /nfs/dbraw/zinc/85/56/04/1070855604.db2.gz CRQIIZMVUYMAGL-STZFKDTASA-N -1 0 604.284 6.790 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S)c1cccs1 ZINC000409334918 1070854234 /nfs/dbraw/zinc/85/42/34/1070854234.db2.gz YELQVPGEWZFIND-YBFXNURJSA-N -1 0 565.923 6.289 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408894385 1070854382 /nfs/dbraw/zinc/85/43/82/1070854382.db2.gz CHFNVZQNWUGZGD-USHMODERSA-N -1 0 599.481 7.027 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1 ZINC000408894486 1070855926 /nfs/dbraw/zinc/85/59/26/1070855926.db2.gz CRYHJWANOQLTMY-JLPGSUDCSA-N -1 0 640.474 6.114 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408893535 1070863559 /nfs/dbraw/zinc/86/35/59/1070863559.db2.gz AZMRVMRDZXUEKC-QRVIBDJDSA-N -1 0 711.350 7.078 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408894254 1070856688 /nfs/dbraw/zinc/85/66/88/1070856688.db2.gz BVILLSNSJPPZPW-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc(F)c3)ccc3ccccc32)C1=O ZINC000408893821 1070860637 /nfs/dbraw/zinc/86/06/37/1070860637.db2.gz FZSUVMBXJOSODM-BUVRLJJBSA-N -1 0 514.940 6.186 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1 ZINC000408893668 1070861337 /nfs/dbraw/zinc/86/13/37/1070861337.db2.gz HMGJGHBLGYCPBG-OGLMXYFKSA-N -1 0 611.492 6.890 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408893759 1070861669 /nfs/dbraw/zinc/86/16/69/1070861669.db2.gz HJDLGDACQGQIPK-VCHYOVAHSA-N -1 0 557.784 5.062 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408893625 1070864484 /nfs/dbraw/zinc/86/44/84/1070864484.db2.gz BHICLDRXJRSYQA-OYKKKHCWSA-N -1 0 619.899 7.208 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408893500 1070862779 /nfs/dbraw/zinc/86/27/79/1070862779.db2.gz AUVYXBGBEFJCGN-XYGWBWBKSA-N -1 0 518.997 5.991 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408893515 1070862958 /nfs/dbraw/zinc/86/29/58/1070862958.db2.gz GQGZVXCVHVQPRK-BUVRLJJBSA-N -1 0 545.422 7.009 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408893194 1070865772 /nfs/dbraw/zinc/86/57/72/1070865772.db2.gz GBCWNVSAGXYAJA-ZVHZXABRSA-N -1 0 577.475 6.272 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893170 1070867697 /nfs/dbraw/zinc/86/76/97/1070867697.db2.gz KYPWSMRLEBJHLU-XDHOZWIPSA-N -1 0 589.453 5.443 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408892267 1070873129 /nfs/dbraw/zinc/87/31/29/1070873129.db2.gz AHFYNMUNNQFIAP-WOJGMQOQSA-N -1 0 666.877 5.004 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408892041 1070874090 /nfs/dbraw/zinc/87/40/90/1070874090.db2.gz AARJYQQNVVXFTN-LQKURTRISA-N -1 0 688.518 6.741 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408891787 1070875572 /nfs/dbraw/zinc/87/55/72/1070875572.db2.gz VJTJCPNMJDCFTB-XDHOZWIPSA-N -1 0 539.357 5.232 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408890770 1070881109 /nfs/dbraw/zinc/88/11/09/1070881109.db2.gz YXPSLEPRDZFCTG-WSDLNYQXSA-N -1 0 610.448 5.779 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1Cl ZINC000408891541 1070877727 /nfs/dbraw/zinc/87/77/27/1070877727.db2.gz SGAUCICQDCSPGC-CPNJWEJPSA-N -1 0 525.388 5.946 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000408890634 1070881679 /nfs/dbraw/zinc/88/16/79/1070881679.db2.gz WUYWUDHGFCOJGO-WOJGMQOQSA-N -1 0 543.776 5.795 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408890689 1070882718 /nfs/dbraw/zinc/88/27/18/1070882718.db2.gz XRSTVNHNQDRKEP-LFVJCYFKSA-N -1 0 557.400 5.856 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Br ZINC000408889989 1070884695 /nfs/dbraw/zinc/88/46/95/1070884695.db2.gz MFJSWEMDWBIFQV-XDHOZWIPSA-N -1 0 572.209 5.163 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408889903 1070886401 /nfs/dbraw/zinc/88/64/01/1070886401.db2.gz KQLPJQTYNRWSSO-YBFXNURJSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408889938 1070886473 /nfs/dbraw/zinc/88/64/73/1070886473.db2.gz LJNUTEUVORBYRV-BOPFTXTBSA-N -1 0 512.896 5.262 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OS(=O)(=O)c4ccc(C)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408889885 1070886630 /nfs/dbraw/zinc/88/66/30/1070886630.db2.gz KMGHACXCBILLDT-NLRVBDNBSA-N -1 0 540.597 5.145 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409374889 1070898193 /nfs/dbraw/zinc/89/81/93/1070898193.db2.gz AZXLQDCDJLBLCW-LQKURTRISA-N -1 0 604.559 7.374 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409383544 1070901156 /nfs/dbraw/zinc/90/11/56/1070901156.db2.gz WOYQFSLTSQWBOL-SRZZPIQSSA-N -1 0 634.379 7.127 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408903650 1070902505 /nfs/dbraw/zinc/90/25/05/1070902505.db2.gz VJYFOYCFEJDGRC-BUVRLJJBSA-N -1 0 511.465 5.133 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408903589 1070902766 /nfs/dbraw/zinc/90/27/66/1070902766.db2.gz TXSOGFMANKPLOS-RGVLZGJSSA-N -1 0 643.288 5.213 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408903500 1070903975 /nfs/dbraw/zinc/90/39/75/1070903975.db2.gz YUJCFWQZRHYWSL-LPYMAVHISA-N -1 0 582.394 5.773 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408903327 1070904773 /nfs/dbraw/zinc/90/47/73/1070904773.db2.gz QUDGAAOINAILSQ-CIAFOILYSA-N -1 0 657.315 5.603 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000408903031 1070906703 /nfs/dbraw/zinc/90/67/03/1070906703.db2.gz OCLGAHUXTCJTDK-HYARGMPZSA-N -1 0 506.400 5.394 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409399404 1070913390 /nfs/dbraw/zinc/91/33/90/1070913390.db2.gz IAPRGQRCEITKJD-MFOYZWKCSA-N 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616.827 5.324 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408901526 1070917928 /nfs/dbraw/zinc/91/79/28/1070917928.db2.gz YMJJTIFHESANQG-BKUYFWCQSA-N -1 0 644.316 6.254 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)ccc1Br ZINC000408901652 1070920440 /nfs/dbraw/zinc/92/04/40/1070920440.db2.gz ZKXDFYLIBXFNQP-UNOMPAQXSA-N -1 0 649.133 6.528 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408900927 1070928041 /nfs/dbraw/zinc/92/80/41/1070928041.db2.gz ADEKHZJRRGFWDC-CIAFOILYSA-N -1 0 521.367 5.541 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)C1=O ZINC000408901138 1070924527 /nfs/dbraw/zinc/92/45/27/1070924527.db2.gz WFICJCSPHICQCN-MOSHPQCFSA-N -1 0 509.331 5.142 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409406553 1070925054 /nfs/dbraw/zinc/92/50/54/1070925054.db2.gz KKKZMXVDLJIIJT-VXLYETTFSA-N -1 0 637.122 6.023 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408900866 1070928117 /nfs/dbraw/zinc/92/81/17/1070928117.db2.gz YGEXRXVYFUYASK-YZSQISJMSA-N -1 0 617.883 6.927 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408900815 1070927427 /nfs/dbraw/zinc/92/74/27/1070927427.db2.gz VJDBYPQHDKJICH-IWIPYMOSSA-N -1 0 594.020 6.071 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408900719 1070929342 /nfs/dbraw/zinc/92/93/42/1070929342.db2.gz UBYWVUWZMOPJNY-QQXSKIMKSA-N -1 0 668.528 6.731 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408900446 1070933914 /nfs/dbraw/zinc/93/39/14/1070933914.db2.gz SOIAJOCDIWQGFG-HMAPJEAMSA-N -1 0 613.892 6.535 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408900777 1070930788 /nfs/dbraw/zinc/93/07/88/1070930788.db2.gz UVWFFSFOKPWDAS-XKZIYDEJSA-N -1 0 662.364 7.579 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4)ccc4ccccc43)C2=O)ccc1Br ZINC000408900770 1070930868 /nfs/dbraw/zinc/93/08/68/1070930868.db2.gz URZUOUNEFQJZLN-JLPGSUDCSA-N -1 0 541.401 6.156 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408900775 1070931018 /nfs/dbraw/zinc/93/10/18/1070931018.db2.gz UVUFSJSFKKFDOS-JWGURIENSA-N -1 0 535.394 5.483 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000408900351 1070932198 /nfs/dbraw/zinc/93/21/98/1070932198.db2.gz SBLSCPPEXLDUKP-WQRHYEAKSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408900360 1070932847 /nfs/dbraw/zinc/93/28/47/1070932847.db2.gz SCUUSRMXTPEZGK-YBFXNURJSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408900368 1070933220 /nfs/dbraw/zinc/93/32/20/1070933220.db2.gz VIXWTJMSSKGTSU-LPYMAVHISA-N -1 0 519.395 5.620 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408900149 1070937930 /nfs/dbraw/zinc/93/79/30/1070937930.db2.gz RSUKSKJQRDAPNF-JCMHNJIXSA-N -1 0 614.290 6.246 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000408900235 1070935135 /nfs/dbraw/zinc/93/51/35/1070935135.db2.gz XPOICWUNMMRSKF-ODLFYWEKSA-N -1 0 543.776 5.795 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900106 1070937157 /nfs/dbraw/zinc/93/71/57/1070937157.db2.gz ROAPAAPZVCPZAT-IWIPYMOSSA-N -1 0 672.370 7.035 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)C1=O ZINC000408899545 1070944299 /nfs/dbraw/zinc/94/42/99/1070944299.db2.gz UVEIDNKGDAKRGL-UCQKPKSFSA-N -1 0 610.291 7.463 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408900035 1070940967 /nfs/dbraw/zinc/94/09/67/1070940967.db2.gz RBQGDOYELSWABJ-HAHDFKILSA-N -1 0 627.919 6.926 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C1=O ZINC000408899483 1070943519 /nfs/dbraw/zinc/94/35/19/1070943519.db2.gz UNFGUMXCWVEIGD-ODLFYWEKSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408898935 1070950760 /nfs/dbraw/zinc/95/07/60/1070950760.db2.gz NFYJVPSEXXOGKL-IWIPYMOSSA-N -1 0 518.997 5.991 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000408898993 1070951314 /nfs/dbraw/zinc/95/13/14/1070951314.db2.gz NTQZMWOLTGLRPP-KQWNVCNZSA-N -1 0 504.970 5.764 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408899002 1070951415 /nfs/dbraw/zinc/95/14/15/1070951415.db2.gz NVCKJYBRFXRZAK-BKUYFWCQSA-N -1 0 573.860 7.071 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408898725 1070955386 /nfs/dbraw/zinc/95/53/86/1070955386.db2.gz MQDLGURZMLOCSA-UDWIEESQSA-N -1 0 524.932 5.132 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898302 1070956889 /nfs/dbraw/zinc/95/68/89/1070956889.db2.gz KTTMIOZRGPSEMJ-IWIPYMOSSA-N -1 0 719.370 6.877 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408898415 1070958178 /nfs/dbraw/zinc/95/81/78/1070958178.db2.gz MCVQGKQNLYMQEG-XKZIYDEJSA-N -1 0 709.364 7.421 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408898432 1070958340 /nfs/dbraw/zinc/95/83/40/1070958340.db2.gz MIIABMZPPFZRRA-MTJSOVHGSA-N -1 0 539.357 5.151 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000408898030 1070960775 /nfs/dbraw/zinc/96/07/75/1070960775.db2.gz KQZOBNOCFYECHV-VZWMTCDZSA-N -1 0 521.795 5.345 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408898013 1070960964 /nfs/dbraw/zinc/96/09/64/1070960964.db2.gz KLGZRACPSMTKRD-JLPGSUDCSA-N -1 0 545.548 5.028 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)c1 ZINC000408897720 1070963633 /nfs/dbraw/zinc/96/36/33/1070963633.db2.gz SRYWUDNYDKUWGN-FYJGNVAPSA-N -1 0 509.331 5.142 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408897732 1070963758 /nfs/dbraw/zinc/96/37/58/1070963758.db2.gz STKNUDGOSGFLHL-CIAFOILYSA-N -1 0 675.317 6.315 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408897996 1070963803 /nfs/dbraw/zinc/96/38/03/1070963803.db2.gz KFLDQDPKYYRZRI-XKZIYDEJSA-N -1 0 599.865 6.145 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408897521 1070967098 /nfs/dbraw/zinc/96/70/98/1070967098.db2.gz NONLPDIHSPZCSZ-GRSHGNNSSA-N -1 0 665.253 5.755 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408897309 1070967860 /nfs/dbraw/zinc/96/78/60/1070967860.db2.gz IVBWNBRZHBBHNW-IWIPYMOSSA-N -1 0 627.919 6.926 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000408908088 1070985834 /nfs/dbraw/zinc/98/58/34/1070985834.db2.gz AWFHZYWXDVUAEY-LICLKQGHSA-N -1 0 562.239 5.931 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408916314 1071001498 /nfs/dbraw/zinc/00/14/98/1071001498.db2.gz BQXCDRTTZBWXCV-NDENLUEZSA-N -1 0 555.425 5.397 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408913070 1071019813 /nfs/dbraw/zinc/01/98/13/1071019813.db2.gz KMUANEMUAIQDBX-KEBDBYFISA-N -1 0 573.802 5.886 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)cc2Br)cc1 ZINC000408911855 1071059480 /nfs/dbraw/zinc/05/94/80/1071059480.db2.gz OQXBCLSWMAFVPY-GZTJUZNOSA-N -1 0 513.438 5.641 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408917450 1071146506 /nfs/dbraw/zinc/14/65/06/1071146506.db2.gz URCQXRMIEMHZOB-OYKKKHCWSA-N -1 0 605.485 6.550 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000408937247 1071203121 /nfs/dbraw/zinc/20/31/21/1071203121.db2.gz NOFHKHJTOIMNAU-JAIQZWGSSA-N -1 0 563.359 6.874 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408934195 1071201949 /nfs/dbraw/zinc/20/19/49/1071201949.db2.gz CVZCDAHXPSKWAI-RDRPBHBLSA-N -1 0 641.482 8.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408937194 1071202405 /nfs/dbraw/zinc/20/24/05/1071202405.db2.gz IJWWCQOJBFHLQW-VXLYETTFSA-N -1 0 633.782 5.107 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408937209 1071202446 /nfs/dbraw/zinc/20/24/46/1071202446.db2.gz NERAEQTVMGLKNW-OGLMXYFKSA-N -1 0 601.030 6.702 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408936497 1071211519 /nfs/dbraw/zinc/21/15/19/1071211519.db2.gz KNXDMTQJFQBJBK-WGOQTCKBSA-N -1 0 635.873 7.066 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408935599 1071221721 /nfs/dbraw/zinc/22/17/21/1071221721.db2.gz IBEZKRURTBJMPU-DICXZTSXSA-N -1 0 607.877 7.471 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935521 1071224032 /nfs/dbraw/zinc/22/40/32/1071224032.db2.gz HOIZRWBQEHXTSX-DHRITJCHSA-N -1 0 793.419 6.928 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408935085 1071229154 /nfs/dbraw/zinc/22/91/54/1071229154.db2.gz GLYZWROVTXVOMZ-CVKSISIWSA-N -1 0 696.381 7.979 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408934697 1071230976 /nfs/dbraw/zinc/23/09/76/1071230976.db2.gz FUOHDZCMOYUVAV-LQKURTRISA-N -1 0 601.486 7.435 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1F ZINC000408934656 1071231023 /nfs/dbraw/zinc/23/10/23/1071231023.db2.gz FNNVOJBRDYRTNS-YVLHZVERSA-N -1 0 597.746 6.506 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408934742 1071231757 /nfs/dbraw/zinc/23/17/57/1071231757.db2.gz FYCXSZKDRPWBMG-DHRITJCHSA-N -1 0 686.375 8.523 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408934721 1071231784 /nfs/dbraw/zinc/23/17/84/1071231784.db2.gz BPSZVLGAPCYQLZ-OEAKJJBVSA-N -1 0 562.365 6.300 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408934223 1071235626 /nfs/dbraw/zinc/23/56/26/1071235626.db2.gz DANAVFOMZHHNFF-MTDXEUNCSA-N -1 0 647.105 6.060 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408934255 1071235717 /nfs/dbraw/zinc/23/57/17/1071235717.db2.gz DKHJUVDVAOLZOB-ZCTHSVRISA-N -1 0 607.037 7.457 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2)c1 ZINC000408933614 1071241377 /nfs/dbraw/zinc/24/13/77/1071241377.db2.gz BCGCMMQSOHVGMC-UXHLAJHPSA-N -1 0 567.041 6.781 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408933456 1071242543 /nfs/dbraw/zinc/24/25/43/1071242543.db2.gz ACHDJIZKMAINFR-DHRITJCHSA-N -1 0 669.920 8.009 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408947228 1071262528 /nfs/dbraw/zinc/26/25/28/1071262528.db2.gz BHROWFKQXHOVRM-REZTVBANSA-N -1 0 545.762 5.621 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408941503 1071308965 /nfs/dbraw/zinc/30/89/65/1071308965.db2.gz WSQDDIMCSPKLOW-JVWAILMASA-N -1 0 635.873 7.066 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408941523 1071306756 /nfs/dbraw/zinc/30/67/56/1071306756.db2.gz WUZLDKRGYIPWGV-RWPZCVJISA-N -1 0 680.382 8.197 40 10 KKCBRM CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408940901 1071314305 /nfs/dbraw/zinc/31/43/05/1071314305.db2.gz VNZXXIJPKSJOEE-XKZIYDEJSA-N -1 0 511.361 5.638 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408939569 1071323163 /nfs/dbraw/zinc/32/31/63/1071323163.db2.gz SVUMFKVTODFIGC-WGOQTCKBSA-N -1 0 591.422 6.957 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408939400 1071323623 /nfs/dbraw/zinc/32/36/23/1071323623.db2.gz MJYDFBRAGFMYQJ-WGOQTCKBSA-N -1 0 521.529 5.610 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)c1 ZINC000408952514 1071345108 /nfs/dbraw/zinc/34/51/08/1071345108.db2.gz OBDXPRNESKAVOF-WKULSOCRSA-N -1 0 672.563 7.313 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408951803 1071348866 /nfs/dbraw/zinc/34/88/66/1071348866.db2.gz MQSIABPXMSXCOC-CCVNUDIWSA-N -1 0 601.530 7.707 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408951866 1071348967 /nfs/dbraw/zinc/34/89/67/1071348967.db2.gz MTJRZVOHAFMDDP-WKULSOCRSA-N -1 0 654.163 6.890 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408952404 1071345989 /nfs/dbraw/zinc/34/59/89/1071345989.db2.gz NRCGUUQIHWYBNZ-IPPBACCNSA-N -1 0 629.128 7.591 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408951888 1071348384 /nfs/dbraw/zinc/34/83/84/1071348384.db2.gz MVBFBOLRGMSEMJ-DJKKODMXSA-N -1 0 691.272 5.427 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408951047 1071352069 /nfs/dbraw/zinc/35/20/69/1071352069.db2.gz KTXIXJDKZFSNKL-JADNIPHLSA-N -1 0 533.068 6.652 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408951117 1071352881 /nfs/dbraw/zinc/35/28/81/1071352881.db2.gz LJVDKNLBJGYFBM-MYYYXRDXSA-N -1 0 505.530 5.156 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000408951648 1071349539 /nfs/dbraw/zinc/34/95/39/1071349539.db2.gz MGIFPGYBKDXLFK-RWPZCVJISA-N -1 0 534.660 5.932 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1Br ZINC000408949406 1071360395 /nfs/dbraw/zinc/36/03/95/1071360395.db2.gz HZZIDIBJVUHLFM-WSDLNYQXSA-N -1 0 505.412 5.583 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2I)c1 ZINC000408949622 1071359716 /nfs/dbraw/zinc/35/97/16/1071359716.db2.gz INRQVDLRVPTSCV-QGMBQPNBSA-N -1 0 708.246 5.178 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408948750 1071363486 /nfs/dbraw/zinc/36/34/86/1071363486.db2.gz GGWZIRSSHKJCSS-IPPBACCNSA-N -1 0 656.135 7.360 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408948775 1071364370 /nfs/dbraw/zinc/36/43/70/1071364370.db2.gz GPQYVEFCLZOKKG-IPPBACCNSA-N -1 0 690.034 8.214 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408948277 1071365577 /nfs/dbraw/zinc/36/55/77/1071365577.db2.gz FGCLOSJDWIPMAW-FSJBWODESA-N -1 0 570.985 5.866 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000408947939 1071369359 /nfs/dbraw/zinc/36/93/59/1071369359.db2.gz DUNJTTPIYGGVOE-KKMKTNMSSA-N -1 0 663.971 7.955 40 10 KKCBRM COC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408947575 1071370386 /nfs/dbraw/zinc/37/03/86/1071370386.db2.gz CNBCWANIJRRGGQ-AUEPDCJTSA-N -1 0 579.049 5.035 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408956466 1071377973 /nfs/dbraw/zinc/37/79/73/1071377973.db2.gz XCZJQEWGXOTWBZ-KEBDBYFISA-N -1 0 579.403 5.130 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408956475 1071378005 /nfs/dbraw/zinc/37/80/05/1071378005.db2.gz XFDZYVWBWYMYDY-DPNNOFEESA-N -1 0 617.145 8.206 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccccc1Br ZINC000408956503 1071378209 /nfs/dbraw/zinc/37/82/09/1071378209.db2.gz XRCDUGRBGCIVGQ-JFLMPSFJSA-N -1 0 598.541 6.991 40 10 KKCBRM CC[C@H](C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408955828 1071381291 /nfs/dbraw/zinc/38/12/91/1071381291.db2.gz UTMJTXBFTWPLGR-GVNUTUJQSA-N -1 0 521.661 6.747 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408955440 1071384178 /nfs/dbraw/zinc/38/41/78/1071384178.db2.gz UMIZAQVLHGWEHB-WKULSOCRSA-N -1 0 641.562 7.171 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408692892 1071392642 /nfs/dbraw/zinc/39/26/42/1071392642.db2.gz XTHLWUNFWPZQFE-RWPZCVJISA-N -1 0 511.666 5.966 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000408954008 1071393397 /nfs/dbraw/zinc/39/33/97/1071393397.db2.gz QVGDNBKAIXJMBK-FRKPEAEDSA-N -1 0 618.209 5.325 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408692836 1071393589 /nfs/dbraw/zinc/39/35/89/1071393589.db2.gz WLUVZWBVNVQZTO-UDWIEESQSA-N -1 0 527.415 5.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000408954771 1071389405 /nfs/dbraw/zinc/38/94/05/1071389405.db2.gz SLMVLARALYFLLA-VXLYETTFSA-N -1 0 647.219 5.028 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408954588 1071390718 /nfs/dbraw/zinc/39/07/18/1071390718.db2.gz RVCMJTBZASDPGU-OGLMXYFKSA-N -1 0 509.650 5.811 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408692481 1071394856 /nfs/dbraw/zinc/39/48/56/1071394856.db2.gz NJNAGTGEBJKKFA-LPYMAVHISA-N -1 0 596.421 5.436 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408692403 1071395573 /nfs/dbraw/zinc/39/55/73/1071395573.db2.gz LRYNXDHSSLJIDW-OOAXWGSJSA-N -1 0 501.586 6.216 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408692272 1071396452 /nfs/dbraw/zinc/39/64/52/1071396452.db2.gz IWYKITBZURNYDN-VCHYOVAHSA-N -1 0 625.257 5.046 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408953275 1071397090 /nfs/dbraw/zinc/39/70/90/1071397090.db2.gz PMRKUSOHSDZWKE-AFUMVMLFSA-N -1 0 570.001 5.722 40 10 KKCBRM Cc1ccc(OCCOCCOc2ccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2)cc1 ZINC000408973312 1071448536 /nfs/dbraw/zinc/44/85/36/1071448536.db2.gz YHCHHRLOXWZPKG-UQQQWYQISA-N -1 0 535.643 5.573 40 10 KKCBRM O=C1/C(=C\c2cc(Br)c([O-])c(I)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970780 1071454033 /nfs/dbraw/zinc/45/40/33/1071454033.db2.gz KBOORZKETDRCRA-WDZFZDKYSA-N -1 0 537.073 5.108 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408968080 1071464409 /nfs/dbraw/zinc/46/44/09/1071464409.db2.gz WHYJFLVXXQGBKH-ZDLGFXPLSA-N -1 0 532.822 5.480 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408986153 1071493915 /nfs/dbraw/zinc/49/39/15/1071493915.db2.gz LXFHKNXNGQFFAT-XKZIYDEJSA-N -1 0 539.415 6.200 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408985724 1071498480 /nfs/dbraw/zinc/49/84/80/1071498480.db2.gz YDTSFQPCOXFQFM-BKUYFWCQSA-N -1 0 583.866 6.309 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408985122 1071503017 /nfs/dbraw/zinc/50/30/17/1071503017.db2.gz VMQXLHIGHLFLOU-XKZIYDEJSA-N -1 0 552.845 6.933 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408984826 1071506478 /nfs/dbraw/zinc/50/64/78/1071506478.db2.gz SVPWXWINHPUUOR-OYKKKHCWSA-N -1 0 634.324 7.173 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408984516 1071508973 /nfs/dbraw/zinc/50/89/73/1071508973.db2.gz RRCYLIWTWQQUDI-JMIUGGIZSA-N -1 0 604.284 6.708 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408984373 1071509494 /nfs/dbraw/zinc/50/94/94/1071509494.db2.gz QFSQLMPOTNQZCD-XKZIYDEJSA-N -1 0 549.421 5.574 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1 ZINC000408984423 1071510155 /nfs/dbraw/zinc/51/01/55/1071510155.db2.gz QVIVNOZAFOYQAF-OCKHKDLRSA-N -1 0 675.273 5.590 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408984391 1071510309 /nfs/dbraw/zinc/51/03/09/1071510309.db2.gz QJMWSBDZSANALJ-OCKHKDLRSA-N -1 0 647.809 5.415 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408983710 1071514469 /nfs/dbraw/zinc/51/44/69/1071514469.db2.gz NQMLUXRNLUBAFE-MTJSOVHGSA-N -1 0 627.391 5.016 40 10 KKCBRM CC1=CC(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408984404 1071510417 /nfs/dbraw/zinc/51/04/17/1071510417.db2.gz QNAFBZOKIDWACZ-YVBHXKDBSA-N -1 0 539.031 6.797 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000408984165 1071510773 /nfs/dbraw/zinc/51/07/73/1071510773.db2.gz PXBRGMJQQSUFGB-OCKHKDLRSA-N -1 0 574.258 6.618 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000408983715 1071514524 /nfs/dbraw/zinc/51/45/24/1071514524.db2.gz HEWQAIHXMVQHLE-LSCVHKIXSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408983955 1071513744 /nfs/dbraw/zinc/51/37/44/1071513744.db2.gz OVLBBAYXVSSNHH-JMIUGGIZSA-N -1 0 587.829 6.194 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408726366 1071516928 /nfs/dbraw/zinc/51/69/28/1071516928.db2.gz QYDNBZDPNYHMCV-HAHDFKILSA-N -1 0 520.969 5.383 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000408983405 1071518857 /nfs/dbraw/zinc/51/88/57/1071518857.db2.gz LYAMFTHWWWFRIL-BKUYFWCQSA-N -1 0 597.365 5.007 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408983361 1071519026 /nfs/dbraw/zinc/51/90/26/1071519026.db2.gz LOWGOHPZEBICAR-MTJSOVHGSA-N -1 0 535.940 5.201 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C2=O)cc1 ZINC000408982577 1071524378 /nfs/dbraw/zinc/52/43/78/1071524378.db2.gz IAOCYRVBWAIFRO-MIXAMLLLSA-N -1 0 598.497 6.664 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408982476 1071526127 /nfs/dbraw/zinc/52/61/27/1071526127.db2.gz HGJGKMADOPPGJH-NHDPSOOVSA-N -1 0 618.311 6.962 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408983125 1071521612 /nfs/dbraw/zinc/52/16/12/1071521612.db2.gz KSHHUNITBAHRQL-HMAPJEAMSA-N -1 0 518.400 6.280 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408722832 1071530926 /nfs/dbraw/zinc/53/09/26/1071530926.db2.gz NQXQCXPGDBXISA-GIJQJNRQSA-N -1 0 504.826 5.886 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408982299 1071527349 /nfs/dbraw/zinc/52/73/49/1071527349.db2.gz GIZASWBOHYRFCK-GRSHGNNSSA-N -1 0 511.361 5.556 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408723654 1071527740 /nfs/dbraw/zinc/52/77/40/1071527740.db2.gz YZYJCKLUPWGEEQ-GIJQJNRQSA-N -1 0 700.723 5.960 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408982372 1071527837 /nfs/dbraw/zinc/52/78/37/1071527837.db2.gz GQMMHFOYNHSTCH-NDENLUEZSA-N -1 0 553.384 5.405 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408723212 1071529865 /nfs/dbraw/zinc/52/98/65/1071529865.db2.gz RDHAQZOQYGHWQH-MTDXEUNCSA-N -1 0 638.974 8.059 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408723222 1071530384 /nfs/dbraw/zinc/53/03/84/1071530384.db2.gz RJJGWFLQWKBFIG-VCHYOVAHSA-N -1 0 639.298 6.017 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408722879 1071530856 /nfs/dbraw/zinc/53/08/56/1071530856.db2.gz NZFOSNSJYFYRGI-VXLYETTFSA-N -1 0 639.298 6.017 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1Cl ZINC000408981621 1071533082 /nfs/dbraw/zinc/53/30/82/1071533082.db2.gz CBLDKBHHIVDERF-IUXPMGMMSA-N -1 0 533.770 6.340 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722402 1071533359 /nfs/dbraw/zinc/53/33/59/1071533359.db2.gz IFFHXSGOJYUOOZ-YBFXNURJSA-N -1 0 653.325 6.407 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722480 1071533992 /nfs/dbraw/zinc/53/39/92/1071533992.db2.gz JJQBKRRAPBAAPU-OVCLIPMQSA-N -1 0 589.369 5.442 40 10 KKCBRM O=C1/C(=C\c2cc(Br)cc(Br)c2[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000408718874 1071548066 /nfs/dbraw/zinc/54/80/66/1071548066.db2.gz RKXJZJJIFUGNMM-WLRTZDKTSA-N -1 0 539.192 6.342 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408995153 1071553615 /nfs/dbraw/zinc/55/36/15/1071553615.db2.gz AEIXYBIGYIWFRR-LDADJPATSA-N -1 0 529.437 5.423 40 10 KKCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)[N-]C1=S ZINC000408995028 1071555287 /nfs/dbraw/zinc/55/52/87/1071555287.db2.gz KVJFCHIQORDCHB-KGENOOAVSA-N -1 0 554.409 5.010 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C2=O)c1 ZINC000408994186 1071560999 /nfs/dbraw/zinc/56/09/99/1071560999.db2.gz GZYZQTFOMMRIDB-VCHYOVAHSA-N -1 0 699.179 7.171 40 10 KKCBRM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992805 1071569520 /nfs/dbraw/zinc/56/95/20/1071569520.db2.gz SWBKIQIVSHMHIL-SMCFQVJDSA-N -1 0 653.698 5.702 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408991374 1071581685 /nfs/dbraw/zinc/58/16/85/1071581685.db2.gz NOIBFZKULLVJOH-BUVRLJJBSA-N -1 0 649.710 6.891 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)[N-]C2=S)c1 ZINC000408991355 1071581704 /nfs/dbraw/zinc/58/17/04/1071581704.db2.gz NMHQBOFEWHWJED-PXLXIMEGSA-N -1 0 622.709 5.981 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408991178 1071582555 /nfs/dbraw/zinc/58/25/55/1071582555.db2.gz ZJWKEFCUGQQWQT-ODLFYWEKSA-N -1 0 618.709 6.673 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c1C)CCCC2 ZINC000408991176 1071582616 /nfs/dbraw/zinc/58/26/16/1071582616.db2.gz ZJSYZJOJHXIFFH-BKUYFWCQSA-N -1 0 566.079 5.839 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000408990358 1071590018 /nfs/dbraw/zinc/59/00/18/1071590018.db2.gz XEGODGSCYVWTSL-IUXPMGMMSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408990205 1071591202 /nfs/dbraw/zinc/59/12/02/1071591202.db2.gz JWNXAYCAILGFAG-HZHRSRAPSA-N -1 0 635.683 6.583 40 10 KKCBRM O=C(CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408989904 1071593894 /nfs/dbraw/zinc/59/38/94/1071593894.db2.gz JJEGROJBIBPNSN-OEAKJJBVSA-N -1 0 552.568 5.145 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)cc3)C2=O)cc1 ZINC000408989283 1071597456 /nfs/dbraw/zinc/59/74/56/1071597456.db2.gz UBMRBEKWRHWVEN-HAHDFKILSA-N -1 0 552.368 5.099 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1Cl ZINC000408988961 1071602090 /nfs/dbraw/zinc/60/20/90/1071602090.db2.gz SHUNKVWPXQNUDP-SOFYXZRVSA-N -1 0 673.572 7.726 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408988962 1071602111 /nfs/dbraw/zinc/60/21/11/1071602111.db2.gz SIBWXJBWVNYNMW-TWKHWXDSSA-N -1 0 630.100 7.616 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)[N-]C2=S)c1 ZINC000408739636 1071602215 /nfs/dbraw/zinc/60/22/15/1071602215.db2.gz DMLBOVJVJMSXCE-JAIQZWGSSA-N -1 0 514.434 5.631 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C(=O)[N-]C2=S)c1 ZINC000408739562 1071603325 /nfs/dbraw/zinc/60/33/25/1071603325.db2.gz CRDFKLDGGAVLSJ-WSDLNYQXSA-N -1 0 571.482 6.201 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408988509 1071605216 /nfs/dbraw/zinc/60/52/16/1071605216.db2.gz QZVDBYTZCXKPKO-JAIQZWGSSA-N -1 0 618.709 6.673 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(C(=O)[O-])ccc4C)C3=O)o2)cc1 ZINC000408987295 1071613469 /nfs/dbraw/zinc/61/34/69/1071613469.db2.gz WBSBRKLUHZQUFK-LFVJCYFKSA-N -1 0 505.526 6.211 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000408744210 1071616626 /nfs/dbraw/zinc/61/66/26/1071616626.db2.gz ZCKRHSUJQQUZGV-VEILYXNESA-N -1 0 649.526 7.313 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408743744 1071617284 /nfs/dbraw/zinc/61/72/84/1071617284.db2.gz XVCHFFCZNHCFPU-GIJQJNRQSA-N -1 0 745.174 6.069 40 10 KKCBRM CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408996499 1071618114 /nfs/dbraw/zinc/61/81/14/1071618114.db2.gz IGORMUMCQQDVGA-OOWUWCJESA-N -1 0 541.492 6.538 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742080 1071621731 /nfs/dbraw/zinc/62/17/31/1071621731.db2.gz UUVGEMDNVOLZPF-CIAFOILYSA-N -1 0 541.387 5.646 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)[N-]C1=S ZINC000408743377 1071619070 /nfs/dbraw/zinc/61/90/70/1071619070.db2.gz WCXJYQDHCNWESM-RGVLZGJSSA-N -1 0 576.299 6.475 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408743016 1071619608 /nfs/dbraw/zinc/61/96/08/1071619608.db2.gz YMIZWFHVLPRKSL-FYJGNVAPSA-N -1 0 600.263 5.856 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000408742472 1071621140 /nfs/dbraw/zinc/62/11/40/1071621140.db2.gz WRXHKCCGQVTQIJ-COEJQBHMSA-N -1 0 648.582 7.804 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408744311 1071616055 /nfs/dbraw/zinc/61/60/55/1071616055.db2.gz ZLNOJSJBVMXCOC-COEJQBHMSA-N -1 0 676.592 7.582 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741058 1071626729 /nfs/dbraw/zinc/62/67/29/1071626729.db2.gz JUVJNQLVNKJVAK-HYARGMPZSA-N -1 0 537.483 5.062 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408995805 1071622075 /nfs/dbraw/zinc/62/20/75/1071622075.db2.gz NMCCFWJLXLMPEL-FYJGNVAPSA-N -1 0 558.759 5.190 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408740940 1071627892 /nfs/dbraw/zinc/62/78/92/1071627892.db2.gz FHEAIMQUASCBKF-YSMPRRRNSA-N -1 0 573.030 6.473 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)[N-]C1=S ZINC000408741729 1071624507 /nfs/dbraw/zinc/62/45/07/1071624507.db2.gz NMQAEEWOUCAUMJ-GZTJUZNOSA-N -1 0 501.789 5.502 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408741357 1071625027 /nfs/dbraw/zinc/62/50/27/1071625027.db2.gz LLUZOCUEUJWUNX-LPYMAVHISA-N -1 0 567.461 5.267 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408741405 1071625693 /nfs/dbraw/zinc/62/56/93/1071625693.db2.gz PQQLRGLHRYOKOJ-DJKKODMXSA-N -1 0 653.256 5.861 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408741276 1071626139 /nfs/dbraw/zinc/62/61/39/1071626139.db2.gz LEITYUPEMLURRM-CIAFOILYSA-N -1 0 572.278 5.622 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408740519 1071629723 /nfs/dbraw/zinc/62/97/23/1071629723.db2.gz LGULTELZDKFNDQ-VCHYOVAHSA-N -1 0 667.681 5.961 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C2=O)c1 ZINC000408740220 1071631379 /nfs/dbraw/zinc/63/13/79/1071631379.db2.gz APDREHLFVIANAV-QRQIAZFYSA-N -1 0 582.638 6.219 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408740265 1071631384 /nfs/dbraw/zinc/63/13/84/1071631384.db2.gz FFHPEVMOARXTTQ-GZTJUZNOSA-N -1 0 579.213 5.145 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408739982 1071632648 /nfs/dbraw/zinc/63/26/48/1071632648.db2.gz HGXWICOHYLDDAL-SGWCAAJKSA-N -1 0 525.633 6.643 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408756995 1071634282 /nfs/dbraw/zinc/63/42/82/1071634282.db2.gz YYCIIEHLBTYXSM-RGVLZGJSSA-N -1 0 661.290 5.925 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408757004 1071634319 /nfs/dbraw/zinc/63/43/19/1071634319.db2.gz VMISVHLWVRXXDP-VXLYETTFSA-N -1 0 618.253 5.913 40 10 KKCBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c3ccccc32)cc1 ZINC000408756687 1071636019 /nfs/dbraw/zinc/63/60/19/1071636019.db2.gz SJJXOPLSIYKEBZ-OEAKJJBVSA-N -1 0 528.406 5.735 40 10 KKCBRM Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408756780 1071636577 /nfs/dbraw/zinc/63/65/77/1071636577.db2.gz JKCKTXKXBCPQLG-HYARGMPZSA-N -1 0 543.421 5.688 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1Cl ZINC000408756623 1071637686 /nfs/dbraw/zinc/63/76/86/1071637686.db2.gz RNJTUQHGVMUXPK-RGVLZGJSSA-N -1 0 570.827 5.271 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)c1 ZINC000409002985 1071638568 /nfs/dbraw/zinc/63/85/68/1071638568.db2.gz XRSNWIUPZQDJQE-HYARGMPZSA-N -1 0 554.409 5.010 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)cc1Cl ZINC000408756285 1071638867 /nfs/dbraw/zinc/63/88/67/1071638867.db2.gz YNLXVTIFRLXZLH-GZTJUZNOSA-N -1 0 543.757 5.124 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1 ZINC000409001455 1071645564 /nfs/dbraw/zinc/64/55/64/1071645564.db2.gz VYGJOMFQEAVVGJ-CLCZQPDDSA-N -1 0 534.659 5.506 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)ccc1Br ZINC000408756016 1071640337 /nfs/dbraw/zinc/64/03/37/1071640337.db2.gz QJOKAXMCKURZHY-REZTVBANSA-N -1 0 765.023 7.677 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408755861 1071641471 /nfs/dbraw/zinc/64/14/71/1071641471.db2.gz WLDBDGXXDICXBE-OEAKJJBVSA-N -1 0 607.302 6.498 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408755662 1071642121 /nfs/dbraw/zinc/64/21/21/1071642121.db2.gz RYHHKRYUFMFQDD-CIAFOILYSA-N -1 0 628.317 6.473 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000408755641 1071644514 /nfs/dbraw/zinc/64/45/14/1071644514.db2.gz RODJHDXQEYEVGV-FYJGNVAPSA-N -1 0 506.400 5.448 40 10 KKCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408754950 1071647171 /nfs/dbraw/zinc/64/71/71/1071647171.db2.gz ATLJDLHWKXHDHK-FJEPWZHXSA-N -1 0 548.687 6.240 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408754447 1071652455 /nfs/dbraw/zinc/65/24/55/1071652455.db2.gz QSXYFAODFBEPBH-UDWIEESQSA-N -1 0 614.290 6.164 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)[N-]C1=S ZINC000408999699 1071653699 /nfs/dbraw/zinc/65/36/99/1071653699.db2.gz XKIZKCLDNYSDIF-FYJGNVAPSA-N -1 0 633.305 5.772 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1C ZINC000408753062 1071660258 /nfs/dbraw/zinc/66/02/58/1071660258.db2.gz HLBVHIOMZJGYJR-YBFXNURJSA-N -1 0 542.817 5.493 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408753613 1071657378 /nfs/dbraw/zinc/65/73/78/1071657378.db2.gz NPOHPHHDTQVVOS-LFVJCYFKSA-N -1 0 549.469 5.678 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408760233 1071697921 /nfs/dbraw/zinc/69/79/21/1071697921.db2.gz UWWIUDKMLXRCNH-VCHYOVAHSA-N -1 0 573.802 5.804 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C2=O)ccc1Br ZINC000408761163 1071694737 /nfs/dbraw/zinc/69/47/37/1071694737.db2.gz BXBZLWMPQCNYJF-RQZCQDPDSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C(Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408760868 1071695127 /nfs/dbraw/zinc/69/51/27/1071695127.db2.gz AJRKHKSXEPGHTR-NDENLUEZSA-N -1 0 533.371 5.253 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000408760775 1071695185 /nfs/dbraw/zinc/69/51/85/1071695185.db2.gz FVCXQHTYGPRXJF-NDENLUEZSA-N -1 0 527.385 5.053 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)ccc1Br ZINC000408760581 1071696235 /nfs/dbraw/zinc/69/62/35/1071696235.db2.gz BDLLKQDYUUEWNA-LPYMAVHISA-N -1 0 548.824 6.080 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2I)c1 ZINC000408760535 1071696330 /nfs/dbraw/zinc/69/63/30/1071696330.db2.gz AJCYYMFBHHGXTI-VXLYETTFSA-N -1 0 710.160 6.678 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408758795 1071704128 /nfs/dbraw/zinc/70/41/28/1071704128.db2.gz RHWKEWRUFPPVQE-VXLYETTFSA-N -1 0 679.159 6.537 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408759897 1071699253 /nfs/dbraw/zinc/69/92/53/1071699253.db2.gz NQLVQMAHOSYFNQ-WOJGMQOQSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408758339 1071705476 /nfs/dbraw/zinc/70/54/76/1071705476.db2.gz YCZKWCSYSAGCLB-MIXAMLLLSA-N -1 0 563.702 6.153 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)ccc1Br ZINC000408758304 1071705553 /nfs/dbraw/zinc/70/55/53/1071705553.db2.gz IOIXFTJCBSPSOQ-WOJGMQOQSA-N -1 0 588.227 5.905 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408767231 1071715484 /nfs/dbraw/zinc/71/54/84/1071715484.db2.gz KHXJIPPXTZVEQK-VXLYETTFSA-N -1 0 560.231 6.310 40 10 KKCBRM CC1=CC(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408766078 1071721174 /nfs/dbraw/zinc/72/11/74/1071721174.db2.gz ZDWYFVSCRZZBAD-HRIDGTDGSA-N -1 0 583.482 6.906 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408765284 1071725116 /nfs/dbraw/zinc/72/51/16/1071725116.db2.gz LBARTKXYYUFFEU-OEAKJJBVSA-N -1 0 562.851 6.389 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409020269 1071727384 /nfs/dbraw/zinc/72/73/84/1071727384.db2.gz NIDYETNGSBOCIV-OGLMXYFKSA-N -1 0 570.114 6.775 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408764692 1071727850 /nfs/dbraw/zinc/72/78/50/1071727850.db2.gz SIQAUCUEDDGKKO-VCHYOVAHSA-N -1 0 681.708 6.270 40 10 KKCBRM COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)c1 ZINC000408764498 1071728283 /nfs/dbraw/zinc/72/82/83/1071728283.db2.gz UCZRDEIPHWIKLX-YBFXNURJSA-N -1 0 570.827 5.271 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408764540 1071728327 /nfs/dbraw/zinc/72/83/27/1071728327.db2.gz UNLNHXWZLVKXOW-ODLFYWEKSA-N -1 0 602.304 5.631 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408764392 1071729140 /nfs/dbraw/zinc/72/91/40/1071729140.db2.gz MSTIJWHSCFNVHD-OYKKKHCWSA-N -1 0 650.494 5.872 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4c(c3)OCO4)C2=O)ccc1Br ZINC000408764126 1071729180 /nfs/dbraw/zinc/72/91/80/1071729180.db2.gz RTJDDCSWZCPMSB-YBFXNURJSA-N -1 0 614.246 5.494 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408764093 1071730104 /nfs/dbraw/zinc/73/01/04/1071730104.db2.gz WBHKHUWLABBANJ-VXLYETTFSA-N -1 0 726.159 6.379 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)ccc1Br ZINC000408763912 1071730677 /nfs/dbraw/zinc/73/06/77/1071730677.db2.gz QAMONSOPKPILSU-MHWRWJLKSA-N -1 0 520.166 5.991 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408764848 1071727316 /nfs/dbraw/zinc/72/73/16/1071727316.db2.gz NKUYXRHQMOFXFQ-GIJQJNRQSA-N -1 0 741.130 6.278 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408763071 1071733731 /nfs/dbraw/zinc/73/37/31/1071733731.db2.gz HEPZVMXHUHJBPU-VCHYOVAHSA-N -1 0 618.253 5.913 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)ccc1Br ZINC000408763092 1071734100 /nfs/dbraw/zinc/73/41/00/1071734100.db2.gz NLMKLJSTJBKIIP-GDNBJRDFSA-N -1 0 520.166 5.991 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)ccc1Br ZINC000408761882 1071738442 /nfs/dbraw/zinc/73/84/42/1071738442.db2.gz MEHHPUPTIZPEGC-FRKPEAEDSA-N -1 0 629.121 7.617 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408761512 1071739417 /nfs/dbraw/zinc/73/94/17/1071739417.db2.gz GFBHCDZUTQBGAF-GIJQJNRQSA-N -1 0 775.029 7.133 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409036225 1071745179 /nfs/dbraw/zinc/74/51/79/1071745179.db2.gz AWBCDUWYXSDYJS-LICLKQGHSA-N -1 0 502.395 5.465 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)c1 ZINC000408776005 1071751869 /nfs/dbraw/zinc/75/18/69/1071751869.db2.gz MFMQQRJNDYMZAI-ZMOGYAJESA-N -1 0 589.873 7.118 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408775901 1071753001 /nfs/dbraw/zinc/75/30/01/1071753001.db2.gz WGSFRZOQMZIIAY-RGVLZGJSSA-N -1 0 620.802 5.728 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408776697 1071747976 /nfs/dbraw/zinc/74/79/76/1071747976.db2.gz PTLPUXHYNWBAGB-SRZZPIQSSA-N -1 0 508.933 5.350 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(I)c3)C2=O)c1 ZINC000408776604 1071748560 /nfs/dbraw/zinc/74/85/60/1071748560.db2.gz WXPCHPHIIIHDSE-KEBDBYFISA-N -1 0 696.254 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408775339 1071756434 /nfs/dbraw/zinc/75/64/34/1071756434.db2.gz GQZZGFQSNDOLRA-UFFVCSGVSA-N -1 0 665.311 6.859 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408774201 1071761567 /nfs/dbraw/zinc/76/15/67/1071761567.db2.gz AXUDBRURBHJYNI-WSDLNYQXSA-N -1 0 594.418 5.618 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1C ZINC000408774802 1071758443 /nfs/dbraw/zinc/75/84/43/1071758443.db2.gz NFQOBLMFBHUTTI-PCLIKHOPSA-N -1 0 530.049 6.370 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408773932 1071763943 /nfs/dbraw/zinc/76/39/43/1071763943.db2.gz KDPBHADEKQVANQ-UDWIEESQSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000408773989 1071764688 /nfs/dbraw/zinc/76/46/88/1071764688.db2.gz KUEXYECVHRUGSE-HZHRSRAPSA-N -1 0 610.986 6.989 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408773471 1071766224 /nfs/dbraw/zinc/76/62/24/1071766224.db2.gz KXDDSPBZMFYOLN-UVHMKAGCSA-N -1 0 604.603 7.700 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408772539 1071773314 /nfs/dbraw/zinc/77/33/14/1071773314.db2.gz MSIVCGZIIJKAKB-WCMJOSRZSA-N -1 0 563.767 7.010 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408772977 1071770693 /nfs/dbraw/zinc/77/06/93/1071770693.db2.gz OONRSCANDGCILQ-WOJGMQOQSA-N -1 0 529.749 5.487 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1 ZINC000408772341 1071773920 /nfs/dbraw/zinc/77/39/20/1071773920.db2.gz OGDHYPFKBIYXJW-CPNJWEJPSA-N -1 0 515.418 5.775 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408772174 1071774529 /nfs/dbraw/zinc/77/45/29/1071774529.db2.gz BYVWOJIBZNQBIP-WPWMEQJKSA-N -1 0 520.585 6.101 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408771158 1071781708 /nfs/dbraw/zinc/78/17/08/1071781708.db2.gz DBKJLMREIOENOI-OVCLIPMQSA-N -1 0 692.699 8.072 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408771170 1071781767 /nfs/dbraw/zinc/78/17/67/1071781767.db2.gz DSKGXRQGLRCLPB-CIAFOILYSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409032081 1071783126 /nfs/dbraw/zinc/78/31/26/1071783126.db2.gz ITPVELXYEPWPCV-LZYBPNLTSA-N -1 0 625.344 6.627 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408769680 1071790201 /nfs/dbraw/zinc/79/02/01/1071790201.db2.gz ZBLKUDPWLLUPIT-GIJQJNRQSA-N -1 0 590.257 6.318 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409030663 1071796312 /nfs/dbraw/zinc/79/63/12/1071796312.db2.gz DZIMSPHJPMDAHJ-CXUHLZMHSA-N -1 0 532.421 5.474 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408768020 1071804410 /nfs/dbraw/zinc/80/44/10/1071804410.db2.gz BFQNLYLKXOZHML-RGVLZGJSSA-N -1 0 539.357 5.151 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1 ZINC000408782270 1071811901 /nfs/dbraw/zinc/81/19/01/1071811901.db2.gz GMSROUJBJLJWSZ-YDZHTSKRSA-N -1 0 620.297 6.919 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408781458 1071818291 /nfs/dbraw/zinc/81/82/91/1071818291.db2.gz SMMQLJXIRJURFS-RGVLZGJSSA-N -1 0 590.257 6.400 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408781873 1071815057 /nfs/dbraw/zinc/81/50/57/1071815057.db2.gz CNRACCGQXUPSCB-UDWIEESQSA-N -1 0 509.331 5.142 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000408781558 1071816152 /nfs/dbraw/zinc/81/61/52/1071816152.db2.gz BOXVMLPLKXTFHG-JJIBRWJFSA-N -1 0 530.049 6.316 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408781561 1071816193 /nfs/dbraw/zinc/81/61/93/1071816193.db2.gz BSWXEOGJVMQGOS-VGOFMYFVSA-N -1 0 600.720 7.033 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)c1 ZINC000408781485 1071818103 /nfs/dbraw/zinc/81/81/03/1071818103.db2.gz AXTSPPZPMDHOJU-UFWORHAWSA-N -1 0 583.822 5.693 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408780183 1071826175 /nfs/dbraw/zinc/82/61/75/1071826175.db2.gz UUPHEIBOULFURC-GIJQJNRQSA-N -1 0 545.806 6.209 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409047282 1071826258 /nfs/dbraw/zinc/82/62/58/1071826258.db2.gz OBAZAHZBPYGFQH-FRKPEAEDSA-N -1 0 554.188 6.685 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409047058 1071827517 /nfs/dbraw/zinc/82/75/17/1071827517.db2.gz MKTNXOOEOCCILU-FYJGNVAPSA-N -1 0 568.811 5.095 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1 ZINC000409045610 1071825352 /nfs/dbraw/zinc/82/53/52/1071825352.db2.gz GQKJYHIYJURMAN-MHWRWJLKSA-N -1 0 565.818 5.389 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000409046774 1071830846 /nfs/dbraw/zinc/83/08/46/1071830846.db2.gz MAEKVIRWXRTYEX-OEAKJJBVSA-N -1 0 578.021 5.130 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 ZINC000409046628 1071832080 /nfs/dbraw/zinc/83/20/80/1071832080.db2.gz KPZBEJSYTNSUAO-VXLYETTFSA-N -1 0 543.334 5.165 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408779080 1071832154 /nfs/dbraw/zinc/83/21/54/1071832154.db2.gz QKTVZDRQNGRFQD-OEAKJJBVSA-N -1 0 561.819 6.501 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409046314 1071834072 /nfs/dbraw/zinc/83/40/72/1071834072.db2.gz JYFFIBUMPBZBCZ-SRZZPIQSSA-N -1 0 626.891 5.802 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409046246 1071834126 /nfs/dbraw/zinc/83/41/26/1071834126.db2.gz JOLPQEMTSVXREE-GIJQJNRQSA-N -1 0 562.203 5.707 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000408778871 1071835197 /nfs/dbraw/zinc/83/51/97/1071835197.db2.gz MTRMJXRUYYJXBL-UDWIEESQSA-N -1 0 637.655 5.953 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1C ZINC000408777721 1071841363 /nfs/dbraw/zinc/84/13/63/1071841363.db2.gz GWXRVYYNIZXQFV-VCHYOVAHSA-N -1 0 559.884 6.343 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409045212 1071841560 /nfs/dbraw/zinc/84/15/60/1071841560.db2.gz FRIAGVFIJKULMM-MFKUBSTISA-N -1 0 726.399 6.533 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000409045996 1071836961 /nfs/dbraw/zinc/83/69/61/1071836961.db2.gz HTBXPYCJXSYFSL-YDZHTSKRSA-N -1 0 547.394 6.401 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408786639 1071848324 /nfs/dbraw/zinc/84/83/24/1071848324.db2.gz UHYWMWKLHYIREA-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408777535 1071844201 /nfs/dbraw/zinc/84/42/01/1071844201.db2.gz BMFYUMIJJZCBQH-WOJGMQOQSA-N -1 0 546.204 6.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409044911 1071844179 /nfs/dbraw/zinc/84/41/79/1071844179.db2.gz DHAFPGQYTXTGIG-WYMPLXKRSA-N -1 0 731.224 8.343 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408777386 1071844683 /nfs/dbraw/zinc/84/46/83/1071844683.db2.gz ZQEZQCJKQABCHD-VXLYETTFSA-N -1 0 606.775 5.338 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409044774 1071845339 /nfs/dbraw/zinc/84/53/39/1071845339.db2.gz DFPUITFPQUFCEM-VXLYETTFSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408787048 1071845445 /nfs/dbraw/zinc/84/54/45/1071845445.db2.gz PZENOAGHMMPQCF-UVHMKAGCSA-N -1 0 588.535 7.535 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408786904 1071846051 /nfs/dbraw/zinc/84/60/51/1071846051.db2.gz PGEVQYZBNVWZTI-VXLYETTFSA-N -1 0 672.388 5.582 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)c1C)CCCC2 ZINC000408786944 1071846584 /nfs/dbraw/zinc/84/65/84/1071846584.db2.gz YHEZZGXSJVDMKE-WOJGMQOQSA-N -1 0 572.470 5.794 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1 ZINC000409044652 1071846925 /nfs/dbraw/zinc/84/69/25/1071846925.db2.gz WLVWLPZZPLLFLP-DJKKODMXSA-N -1 0 529.807 6.509 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1 ZINC000409044665 1071847420 /nfs/dbraw/zinc/84/74/20/1071847420.db2.gz WOJOJYUSMGVKKM-ZVHZXABRSA-N -1 0 636.296 6.619 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409044702 1071847519 /nfs/dbraw/zinc/84/75/19/1071847519.db2.gz WUCISUGFJKTCDV-LICLKQGHSA-N -1 0 519.743 6.031 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408786880 1071847520 /nfs/dbraw/zinc/84/75/20/1071847520.db2.gz XAFFQTLGFMXASA-YBFXNURJSA-N -1 0 539.357 5.151 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1 ZINC000408786048 1071852279 /nfs/dbraw/zinc/85/22/79/1071852279.db2.gz KKUDLMLPXYRBQQ-UDWIEESQSA-N -1 0 572.786 5.498 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409043875 1071853591 /nfs/dbraw/zinc/85/35/91/1071853591.db2.gz BBIBPWCIWKXMSN-CVKSISIWSA-N -1 0 707.331 6.944 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408784599 1071862674 /nfs/dbraw/zinc/86/26/74/1071862674.db2.gz VOTWTZCOBSZRFJ-VCHYOVAHSA-N -1 0 549.277 5.995 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000409043114 1071863202 /nfs/dbraw/zinc/86/32/02/1071863202.db2.gz PWNGGXCVFRRXGW-RGVLZGJSSA-N -1 0 539.371 5.334 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000408784866 1071860132 /nfs/dbraw/zinc/86/01/32/1071860132.db2.gz CUBBHBCSMLYWEG-MHWRWJLKSA-N -1 0 545.857 6.034 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408784823 1071861816 /nfs/dbraw/zinc/86/18/16/1071861816.db2.gz TWOPXKNIBHEJJD-YBFXNURJSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408784854 1071862567 /nfs/dbraw/zinc/86/25/67/1071862567.db2.gz UNOQGCGCPJGMDV-VIZOYTHASA-N -1 0 746.776 6.637 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408783986 1071866657 /nfs/dbraw/zinc/86/66/57/1071866657.db2.gz PYNJUSDIYXGVAI-HYARGMPZSA-N -1 0 585.467 5.237 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408784032 1071866807 /nfs/dbraw/zinc/86/68/07/1071866807.db2.gz RREQFQKUVBVYCY-WSDLNYQXSA-N -1 0 630.866 6.206 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000408783703 1071867374 /nfs/dbraw/zinc/86/73/74/1071867374.db2.gz QHPGIEIYTXREOB-WSDLNYQXSA-N -1 0 734.715 6.948 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408783765 1071868389 /nfs/dbraw/zinc/86/83/89/1071868389.db2.gz QVBARINIUCRRJO-VXLYETTFSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000408782916 1071875028 /nfs/dbraw/zinc/87/50/28/1071875028.db2.gz LDRUREKJXBVHPD-VXLYETTFSA-N -1 0 526.332 5.455 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1 ZINC000409042337 1071871695 /nfs/dbraw/zinc/87/16/95/1071871695.db2.gz MLOAOCSGPANPBV-RGVLZGJSSA-N -1 0 515.324 5.387 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408797101 1071877302 /nfs/dbraw/zinc/87/73/02/1071877302.db2.gz GBPIKNLAYBPEQS-UDWIEESQSA-N -1 0 590.655 6.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408797098 1071877335 /nfs/dbraw/zinc/87/73/35/1071877335.db2.gz GAAWCTTYWDHDBM-RGVLZGJSSA-N -1 0 614.290 6.082 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408797085 1071877372 /nfs/dbraw/zinc/87/73/72/1071877372.db2.gz FTHVAROKSGINFG-RQZCQDPDSA-N -1 0 638.729 7.362 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408782871 1071874297 /nfs/dbraw/zinc/87/42/97/1071874297.db2.gz KOSJBBCBHRPYQD-CAOOACKPSA-N -1 0 566.224 6.554 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409041354 1071882352 /nfs/dbraw/zinc/88/23/52/1071882352.db2.gz ZYHUUBDHXBCKHU-VIZOYTHASA-N -1 0 658.317 6.079 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408794667 1071883651 /nfs/dbraw/zinc/88/36/51/1071883651.db2.gz AOPRIWGZZZFILH-VXLYETTFSA-N -1 0 603.842 6.078 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408794661 1071883904 /nfs/dbraw/zinc/88/39/04/1071883904.db2.gz AMXUXAUULRPQMJ-DJKKODMXSA-N -1 0 576.230 6.010 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408794733 1071884566 /nfs/dbraw/zinc/88/45/66/1071884566.db2.gz BLIBVVFZVUXOPX-LPYMAVHISA-N -1 0 685.427 5.020 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408789536 1071894933 /nfs/dbraw/zinc/89/49/33/1071894933.db2.gz MAEXKWMFIPXKBQ-OMCISZLKSA-N -1 0 717.727 6.523 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408789483 1071895546 /nfs/dbraw/zinc/89/55/46/1071895546.db2.gz JONZNBAEBXNBGY-CAOOACKPSA-N -1 0 655.126 6.772 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408789188 1071896420 /nfs/dbraw/zinc/89/64/20/1071896420.db2.gz KNUDVAFLXHVTNE-STBIYBPSSA-N -1 0 598.497 6.719 40 10 KKCBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c2c1 ZINC000408789141 1071896646 /nfs/dbraw/zinc/89/66/46/1071896646.db2.gz JTAKXWFECRXNAC-KGENOOAVSA-N -1 0 539.451 5.539 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1C ZINC000409039750 1071896994 /nfs/dbraw/zinc/89/69/94/1071896994.db2.gz DHDIQJASRIBEMB-RGVLZGJSSA-N -1 0 513.352 5.995 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408805995 1071905039 /nfs/dbraw/zinc/90/50/39/1071905039.db2.gz DNUZEGXBEDMOTJ-UDWIEESQSA-N -1 0 569.795 5.135 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1C ZINC000408805935 1071905196 /nfs/dbraw/zinc/90/51/96/1071905196.db2.gz CSHIOJXZDPNVRV-VXLYETTFSA-N -1 0 529.807 6.509 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408807230 1071901276 /nfs/dbraw/zinc/90/12/76/1071901276.db2.gz GONUAPBBUJQFQM-YZSQISJMSA-N -1 0 526.976 6.137 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000408805133 1071908240 /nfs/dbraw/zinc/90/82/40/1071908240.db2.gz IPWYVVZXFJTVCR-LDADJPATSA-N -1 0 602.812 5.589 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408804826 1071908773 /nfs/dbraw/zinc/90/87/73/1071908773.db2.gz ZOFHLPRFAYEWQB-PXLXIMEGSA-N -1 0 527.920 5.647 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000408804693 1071909320 /nfs/dbraw/zinc/90/93/20/1071909320.db2.gz GQIAZXYRUBFXGV-PXLXIMEGSA-N -1 0 531.395 6.700 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1Cl ZINC000409049512 1071913502 /nfs/dbraw/zinc/91/35/02/1071913502.db2.gz XHXNMYABLWFKFN-GIJQJNRQSA-N -1 0 533.770 6.340 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408803039 1071910497 /nfs/dbraw/zinc/91/04/97/1071910497.db2.gz KOXOJABDGBCPOJ-XDHOZWIPSA-N -1 0 511.361 5.638 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000408802174 1071912418 /nfs/dbraw/zinc/91/24/18/1071912418.db2.gz XLCSAMGOEBPNRW-LPYMAVHISA-N -1 0 539.813 5.965 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408802134 1071912487 /nfs/dbraw/zinc/91/24/87/1071912487.db2.gz DIQVTZYLCQQCGG-WSDLNYQXSA-N -1 0 549.421 5.628 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)C1=O ZINC000409048941 1071914612 /nfs/dbraw/zinc/91/46/12/1071914612.db2.gz VCJFSAMJDHNBRP-DJKKODMXSA-N -1 0 683.578 7.181 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409056362 1071921869 /nfs/dbraw/zinc/92/18/69/1071921869.db2.gz LRNMWFOTPGZGOT-CNHKJKLMSA-N -1 0 570.643 7.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409056402 1071922374 /nfs/dbraw/zinc/92/23/74/1071922374.db2.gz MANGYAPKIHERFR-VCHYOVAHSA-N -1 0 501.297 5.084 40 10 KKCBRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000409055301 1071928407 /nfs/dbraw/zinc/92/84/07/1071928407.db2.gz KTUUBLIJTLCGCC-INIZCTEOSA-N -1 0 562.113 6.822 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409055393 1071928915 /nfs/dbraw/zinc/92/89/15/1071928915.db2.gz IMKGRKAXTBTIRG-ZVHZXABRSA-N -1 0 607.877 7.471 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000409053933 1071937576 /nfs/dbraw/zinc/93/75/76/1071937576.db2.gz DTZPZFLKFNDUSU-RGVLZGJSSA-N -1 0 628.273 5.552 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409052870 1071943847 /nfs/dbraw/zinc/94/38/47/1071943847.db2.gz BBCDBSQQUAXDEF-VXLYETTFSA-N -1 0 546.750 5.800 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409050182 1071958894 /nfs/dbraw/zinc/95/88/94/1071958894.db2.gz ZYYYXNMWEMKLET-WPWMEQJKSA-N -1 0 717.516 5.953 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409049824 1071962947 /nfs/dbraw/zinc/96/29/47/1071962947.db2.gz XUTBIOKFOYFMFA-REZTVBANSA-N -1 0 641.099 6.469 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409049585 1071963314 /nfs/dbraw/zinc/96/33/14/1071963314.db2.gz WTTJTQDNGMFHTR-RQZCQDPDSA-N -1 0 619.255 5.448 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409049695 1071964003 /nfs/dbraw/zinc/96/40/03/1071964003.db2.gz XTWGWWKZIGWDGT-VXLYETTFSA-N -1 0 619.197 5.504 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1 ZINC000409049016 1071967290 /nfs/dbraw/zinc/96/72/90/1071967290.db2.gz VNRSMCPOOCPLEH-RGVLZGJSSA-N -1 0 604.226 5.605 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409049183 1071966165 /nfs/dbraw/zinc/96/61/65/1071966165.db2.gz VLSYNCYIKQCJMI-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1Cl ZINC000409048630 1071970431 /nfs/dbraw/zinc/97/04/31/1071970431.db2.gz TWXPEEVTRNXITR-GIJQJNRQSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409048626 1071970476 /nfs/dbraw/zinc/97/04/76/1071970476.db2.gz TUWMSDMXQPTAJW-QGMBQPNBSA-N -1 0 546.750 5.800 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409048387 1071973245 /nfs/dbraw/zinc/97/32/45/1071973245.db2.gz STSWDFGKOHFGKW-FYJGNVAPSA-N -1 0 551.813 7.045 40 10 KKCBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409048154 1071973837 /nfs/dbraw/zinc/97/38/37/1071973837.db2.gz QQEBRUMSKXHYDF-VGOFMYFVSA-N -1 0 542.611 5.239 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409048216 1071974432 /nfs/dbraw/zinc/97/44/32/1071974432.db2.gz RMHRWYXEBBTQCR-MHWRWJLKSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409048049 1071974986 /nfs/dbraw/zinc/97/49/86/1071974986.db2.gz QSLYKCNRJOIIRZ-VCHYOVAHSA-N -1 0 512.305 5.147 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409048082 1071975485 /nfs/dbraw/zinc/97/54/85/1071975485.db2.gz RCURLOQQQOLXEE-REZTVBANSA-N -1 0 670.097 6.672 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409048087 1071975587 /nfs/dbraw/zinc/97/55/87/1071975587.db2.gz REIQBDFNSZFHHV-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409047766 1071977784 /nfs/dbraw/zinc/97/77/84/1071977784.db2.gz PKBYZCHZOZHYHE-YDZHTSKRSA-N -1 0 622.269 6.316 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409059179 1071983294 /nfs/dbraw/zinc/98/32/94/1071983294.db2.gz UVZGXPHIKQEVBL-RGVLZGJSSA-N -1 0 568.413 5.384 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409059147 1071983426 /nfs/dbraw/zinc/98/34/26/1071983426.db2.gz UJQAQLMTJJZHRK-LZYBPNLTSA-N -1 0 554.188 6.685 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409058841 1071984844 /nfs/dbraw/zinc/98/48/44/1071984844.db2.gz UBOQZTUGYKZDAP-CAOOACKPSA-N -1 0 570.643 7.199 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000409058153 1071989726 /nfs/dbraw/zinc/98/97/26/1071989726.db2.gz RSZCZYYXFYQSNH-RGVLZGJSSA-N -1 0 648.691 5.897 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C1=O ZINC000409057662 1071991895 /nfs/dbraw/zinc/99/18/95/1071991895.db2.gz QFTSGPBWBLYVQV-RQZCQDPDSA-N -1 0 594.676 6.963 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409066704 1072001093 /nfs/dbraw/zinc/00/10/93/1072001093.db2.gz MBMFESGXVMXTCG-VCHYOVAHSA-N -1 0 551.791 5.081 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1C ZINC000409064416 1072016011 /nfs/dbraw/zinc/01/60/11/1072016011.db2.gz CTXLFTUVTXLPAS-FYJGNVAPSA-N -1 0 545.400 5.044 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409064356 1072015545 /nfs/dbraw/zinc/01/55/45/1072015545.db2.gz DDQUNBKAILZOIK-UHFFFAOYSA-N -1 0 552.970 6.201 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065187 1072010512 /nfs/dbraw/zinc/01/05/12/1072010512.db2.gz IBLRGYDOMBKGGJ-YBFXNURJSA-N -1 0 687.295 5.431 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076851 1072047864 /nfs/dbraw/zinc/04/78/64/1072047864.db2.gz CKXKXWUBJRBIKO-MKMNVTDBSA-N -1 0 701.067 6.794 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409076749 1072046346 /nfs/dbraw/zinc/04/63/46/1072046346.db2.gz CDUFVKSRSTVCAE-LZYBPNLTSA-N -1 0 587.726 5.378 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1Cl ZINC000409075787 1072057902 /nfs/dbraw/zinc/05/79/02/1072057902.db2.gz YAWNWENBFCSCEM-CAOOACKPSA-N -1 0 689.165 6.261 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409075573 1072058709 /nfs/dbraw/zinc/05/87/09/1072058709.db2.gz XDIFPRWXGNZKEJ-WOJGMQOQSA-N -1 0 596.242 5.190 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409074711 1072066215 /nfs/dbraw/zinc/06/62/15/1072066215.db2.gz UYTQSNXLMAZLCW-LFIBNONCSA-N -1 0 551.791 5.081 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409074606 1072067727 /nfs/dbraw/zinc/06/77/27/1072067727.db2.gz UDTRASWCLSBYRF-VCHYOVAHSA-N -1 0 610.269 5.498 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1C ZINC000409074284 1072068696 /nfs/dbraw/zinc/06/86/96/1072068696.db2.gz PQYREVOXISOGRB-UDWIEESQSA-N -1 0 589.851 5.153 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000409072324 1072084520 /nfs/dbraw/zinc/08/45/20/1072084520.db2.gz RRJOSZLBQRMBTJ-YBFXNURJSA-N -1 0 610.269 5.498 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071909 1072085215 /nfs/dbraw/zinc/08/52/15/1072085215.db2.gz QNMHKERIBHMMRL-MFKUBSTISA-N -1 0 657.915 6.660 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409071563 1072088801 /nfs/dbraw/zinc/08/88/01/1072088801.db2.gz KEOZYELPQQIMDX-NLRVBDNBSA-N -1 0 633.476 5.462 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409070429 1072096123 /nfs/dbraw/zinc/09/61/23/1072096123.db2.gz GGMYDORHGSJGNX-RQZCQDPDSA-N -1 0 719.589 6.062 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070008 1072097519 /nfs/dbraw/zinc/09/75/19/1072097519.db2.gz ZDPHQHVXLMDXMM-LZYBPNLTSA-N -1 0 616.262 5.743 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069649 1072101418 /nfs/dbraw/zinc/10/14/18/1072101418.db2.gz MENSXUQBYVYCAL-YZSQISJMSA-N -1 0 667.921 6.116 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409080621 1072122347 /nfs/dbraw/zinc/12/23/47/1072122347.db2.gz LZFPLVYYJQFKDB-CXUHLZMHSA-N -1 0 632.177 5.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080294 1072124602 /nfs/dbraw/zinc/12/46/02/1072124602.db2.gz MTXISDZYCFLPKC-RIYZIHGNSA-N -1 0 600.720 7.033 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079113 1072138248 /nfs/dbraw/zinc/13/82/48/1072138248.db2.gz JWTGMAHZSXWJFM-FRKPEAEDSA-N -1 0 631.779 5.695 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077986 1072150619 /nfs/dbraw/zinc/15/06/19/1072150619.db2.gz GXOIQMSPIFFFHR-CAOOACKPSA-N -1 0 654.779 6.887 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077362 1072156068 /nfs/dbraw/zinc/15/60/68/1072156068.db2.gz DVUCCQLDNJANII-OVCLIPMQSA-N -1 0 600.720 7.033 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077378 1072156103 /nfs/dbraw/zinc/15/61/03/1072156103.db2.gz DXMUGTYVTBDAJZ-LFIBNONCSA-N -1 0 552.883 5.014 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409087278 1072157744 /nfs/dbraw/zinc/15/77/44/1072157744.db2.gz YECBQZNALJEDJK-LZYBPNLTSA-N -1 0 576.827 5.634 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C ZINC000409086673 1072162756 /nfs/dbraw/zinc/16/27/56/1072162756.db2.gz AJMRQRMBCBIZKE-GIJQJNRQSA-N -1 0 683.231 7.214 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086312 1072169285 /nfs/dbraw/zinc/16/92/85/1072169285.db2.gz YZQUYCVBXMNXRA-CAOOACKPSA-N -1 0 692.806 5.927 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084668 1072186990 /nfs/dbraw/zinc/18/69/90/1072186990.db2.gz MPRNBWKZBRYWAX-CAOOACKPSA-N -1 0 624.355 7.086 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083948 1072195442 /nfs/dbraw/zinc/19/54/42/1072195442.db2.gz UYCZIHDANQVXFR-MKMNVTDBSA-N -1 0 675.197 7.150 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083017 1072204262 /nfs/dbraw/zinc/20/42/62/1072204262.db2.gz UQGMIPNFFKYGEU-LZYBPNLTSA-N -1 0 700.174 6.506 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082765 1072208066 /nfs/dbraw/zinc/20/80/66/1072208066.db2.gz RDSKTYVWRQVWRG-CAOOACKPSA-N -1 0 678.779 5.618 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409087345 1072228535 /nfs/dbraw/zinc/22/85/35/1072228535.db2.gz YJYWEWYOWJIWEB-WOJGMQOQSA-N -1 0 606.307 5.843 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c2-c2ccccc2)cc1 ZINC000409095291 1072240548 /nfs/dbraw/zinc/24/05/48/1072240548.db2.gz BUSQPROOEMBVPZ-ANYBSYGZSA-N -1 0 646.168 7.781 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409095377 1072240934 /nfs/dbraw/zinc/24/09/34/1072240934.db2.gz AYBMVVBMQFBTHV-SFQUDFHCSA-N -1 0 517.053 5.401 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)c1 ZINC000409095235 1072241998 /nfs/dbraw/zinc/24/19/98/1072241998.db2.gz HBYKCZNGTZZJCQ-SRZZPIQSSA-N -1 0 560.878 6.786 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409093819 1072249801 /nfs/dbraw/zinc/24/98/01/1072249801.db2.gz ALYVLDXWXLOFFW-UKTHLTGXSA-N -1 0 506.685 5.481 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409093502 1072250701 /nfs/dbraw/zinc/25/07/01/1072250701.db2.gz ADWWRTPYNFXVBQ-PCLIKHOPSA-N -1 0 603.125 6.947 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409093116 1072256114 /nfs/dbraw/zinc/25/61/14/1072256114.db2.gz XRKWCXJRFVHABV-LZYBPNLTSA-N -1 0 588.272 5.177 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409093184 1072256523 /nfs/dbraw/zinc/25/65/23/1072256523.db2.gz XXBZDGHLTUKIIY-LICLKQGHSA-N -1 0 545.857 6.034 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409092223 1072263560 /nfs/dbraw/zinc/26/35/60/1072263560.db2.gz UBQDJDNSRPVAHM-VCHYOVAHSA-N -1 0 699.230 6.996 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092100 1072265316 /nfs/dbraw/zinc/26/53/16/1072265316.db2.gz TXHCOQFVMZSWQH-LICLKQGHSA-N -1 0 543.275 5.269 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409091908 1072266225 /nfs/dbraw/zinc/26/62/25/1072266225.db2.gz VQCOUUBFYJCTSS-DGGAMASNSA-N -1 0 537.863 5.428 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091395 1072271960 /nfs/dbraw/zinc/27/19/60/1072271960.db2.gz QFNMZSCPVMEKTA-RIYZIHGNSA-N -1 0 666.622 6.140 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091002 1072276980 /nfs/dbraw/zinc/27/69/80/1072276980.db2.gz OLDYMECGGCQEHE-VCHYOVAHSA-N -1 0 678.370 6.020 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409090630 1072278721 /nfs/dbraw/zinc/27/87/21/1072278721.db2.gz MPDOLRYCDSCQEU-XYGWBWBKSA-N -1 0 630.438 6.412 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O ZINC000409088552 1072296256 /nfs/dbraw/zinc/29/62/56/1072296256.db2.gz KIFCYXJLOBYINK-GIDUJCDVSA-N -1 0 703.649 7.559 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409088836 1072294005 /nfs/dbraw/zinc/29/40/05/1072294005.db2.gz HHTHNWPVXIRYLW-XDHOZWIPSA-N -1 0 597.334 5.123 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409088453 1072298188 /nfs/dbraw/zinc/29/81/88/1072298188.db2.gz JPOZFYVXXPLUKN-GIDUJCDVSA-N -1 0 600.720 7.033 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087871 1072303891 /nfs/dbraw/zinc/30/38/91/1072303891.db2.gz IIDKSOWUCHDUFJ-LZYBPNLTSA-N -1 0 711.073 6.249 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409106223 1072344004 /nfs/dbraw/zinc/34/40/04/1072344004.db2.gz MQVULHQMBOSKOZ-LICLKQGHSA-N -1 0 533.209 5.830 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1Br ZINC000409333704 1072351157 /nfs/dbraw/zinc/35/11/57/1072351157.db2.gz IKSAVMMBCSOALV-FYJGNVAPSA-N -1 0 504.380 6.326 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409104616 1072353385 /nfs/dbraw/zinc/35/33/85/1072353385.db2.gz GBKACEQBPFFPPE-YBFXNURJSA-N -1 0 528.859 5.650 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409104149 1072357517 /nfs/dbraw/zinc/35/75/17/1072357517.db2.gz FEYJKDLUPJCNMT-WSDLNYQXSA-N -1 0 570.486 6.449 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409102764 1072364181 /nfs/dbraw/zinc/36/41/81/1072364181.db2.gz UBAMZJHRPMKRHS-HZHRSRAPSA-N -1 0 517.651 5.240 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000409329407 1072385782 /nfs/dbraw/zinc/38/57/82/1072385782.db2.gz FROOIJJARJPXJP-UUASQNMZSA-N -1 0 563.329 5.454 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409108620 1072406308 /nfs/dbraw/zinc/40/63/08/1072406308.db2.gz XRQWADCJHWXPAP-WGOQTCKBSA-N -1 0 602.112 6.175 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409108460 1072407530 /nfs/dbraw/zinc/40/75/30/1072407530.db2.gz WAHLGRAHBLCJTG-LFIBNONCSA-N -1 0 502.785 6.029 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409123340 1072416315 /nfs/dbraw/zinc/41/63/15/1072416315.db2.gz GIKQNFJOJVCABJ-BUVRLJJBSA-N -1 0 544.604 5.042 40 10 KKCBRM CCN(CC)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(OCc2ccccc2)c1 ZINC000409345999 1072419042 /nfs/dbraw/zinc/41/90/42/1072419042.db2.gz MZTORRPUGPTBHM-HZHRSRAPSA-N -1 0 523.705 5.720 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409345324 1072426336 /nfs/dbraw/zinc/42/63/36/1072426336.db2.gz LCRCDUDMJITXJW-BUVRLJJBSA-N -1 0 672.591 7.030 40 10 KKCBRM CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000409343452 1072442425 /nfs/dbraw/zinc/44/24/25/1072442425.db2.gz HDTZAXHAAUROTI-HYARGMPZSA-N -1 0 537.688 5.435 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S)c1cccs1 ZINC000409342488 1072448669 /nfs/dbraw/zinc/44/86/69/1072448669.db2.gz FKHGGPIAFREGNY-HAHDFKILSA-N -1 0 502.642 6.027 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409126665 1072450281 /nfs/dbraw/zinc/45/02/81/1072450281.db2.gz MHJZHVCJAINLOR-UFFVCSGVSA-N -1 0 678.363 6.803 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409341294 1072458640 /nfs/dbraw/zinc/45/86/40/1072458640.db2.gz AWQGZDCVKXCADZ-UDWIEESQSA-N -1 0 609.976 6.688 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409339491 1072476308 /nfs/dbraw/zinc/47/63/08/1072476308.db2.gz IZMCIQDAXMDZGA-NDENLUEZSA-N -1 0 500.598 5.021 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000409339116 1072478681 /nfs/dbraw/zinc/47/86/81/1072478681.db2.gz RYNPSMPEPUSHMN-CAOOACKPSA-N -1 0 528.833 5.370 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409136134 1072479111 /nfs/dbraw/zinc/47/91/11/1072479111.db2.gz SPHMMEHEMWQLPN-OVVQPSECSA-N -1 0 629.507 6.641 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409134783 1072490499 /nfs/dbraw/zinc/49/04/99/1072490499.db2.gz PXZDEATYWYOWFX-WSDLNYQXSA-N -1 0 599.467 6.040 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409134579 1072491177 /nfs/dbraw/zinc/49/11/77/1072491177.db2.gz WHBFXDMSBZVBGW-LPYMAVHISA-N -1 0 703.340 6.158 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409133562 1072498399 /nfs/dbraw/zinc/49/83/99/1072498399.db2.gz LKVYQKGNJIBZTA-FYJGNVAPSA-N -1 0 522.468 5.613 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409132645 1072502769 /nfs/dbraw/zinc/50/27/69/1072502769.db2.gz KKCHHXLUVBTUII-FBJMNJBLSA-N -1 0 517.445 5.083 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409132650 1072502940 /nfs/dbraw/zinc/50/29/40/1072502940.db2.gz KKCHHXLUVBTUII-NGWPFTMJSA-N -1 0 517.445 5.083 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409132457 1072504577 /nfs/dbraw/zinc/50/45/77/1072504577.db2.gz ORBBOEAHBCFPMH-OEAKJJBVSA-N -1 0 623.500 5.886 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409131830 1072507718 /nfs/dbraw/zinc/50/77/18/1072507718.db2.gz YHMYUKNXYGAVJI-CIAFOILYSA-N -1 0 555.441 5.147 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409129828 1072518621 /nfs/dbraw/zinc/51/86/21/1072518621.db2.gz SQYGAIXAJUTKOH-HZHRSRAPSA-N -1 0 552.986 5.518 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1Cl ZINC000409352013 1072530890 /nfs/dbraw/zinc/53/08/90/1072530890.db2.gz VNSBMKRCBBLOLJ-GIJQJNRQSA-N -1 0 510.807 7.011 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409127497 1072531617 /nfs/dbraw/zinc/53/16/17/1072531617.db2.gz MXAJPPTWTUSCGE-LFVJCYFKSA-N -1 0 593.474 5.796 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409144799 1072532104 /nfs/dbraw/zinc/53/21/04/1072532104.db2.gz GSFCCYGSSGSKGD-FYJGNVAPSA-N -1 0 613.892 6.141 40 10 KKCBRM CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O ZINC000409144288 1072536744 /nfs/dbraw/zinc/53/67/44/1072536744.db2.gz XRSRPIRRFFTKPS-LZYBPNLTSA-N -1 0 684.746 5.803 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000409141900 1072551029 /nfs/dbraw/zinc/55/10/29/1072551029.db2.gz JOZFLGMLQHEDPD-LFIBNONCSA-N -1 0 515.816 5.811 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)cc1Cl ZINC000409141248 1072554109 /nfs/dbraw/zinc/55/41/09/1072554109.db2.gz JDENVYCRZBYVEV-NKVSQWTQSA-N -1 0 543.066 5.747 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409140404 1072558979 /nfs/dbraw/zinc/55/89/79/1072558979.db2.gz RQQZSGXSUSJGQA-CIAFOILYSA-N -1 0 633.506 5.529 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409138077 1072572169 /nfs/dbraw/zinc/57/21/69/1072572169.db2.gz ZRBZSNRQBTZGQX-HYARGMPZSA-N -1 0 569.441 6.032 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409137499 1072575254 /nfs/dbraw/zinc/57/52/54/1072575254.db2.gz XTEWUZPFJMSRKH-LPYMAVHISA-N -1 0 614.438 5.940 40 10 KKCBRM 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/nfs/dbraw/zinc/63/98/64/1072639864.db2.gz ZDIKDUNABSQTKA-GIJQJNRQSA-N -1 0 590.224 5.054 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409374236 1072640007 /nfs/dbraw/zinc/64/00/07/1072640007.db2.gz ZHWIDBDQVAWIBS-REZTVBANSA-N -1 0 627.218 5.441 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409372336 1072646669 /nfs/dbraw/zinc/64/66/69/1072646669.db2.gz KGGSJMWPBFGECN-DHRITJCHSA-N -1 0 564.425 6.235 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409370212 1072654873 /nfs/dbraw/zinc/65/48/73/1072654873.db2.gz MZFYBKMJHNJUDD-WQRHYEAKSA-N -1 0 522.442 5.346 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409370153 1072655807 /nfs/dbraw/zinc/65/58/07/1072655807.db2.gz MBCRQPYNCXUJIL-ZDLGFXPLSA-N -1 0 619.255 5.448 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409369827 1072657427 /nfs/dbraw/zinc/65/74/27/1072657427.db2.gz ZLYMYTYNGBGARI-GRSHGNNSSA-N -1 0 548.429 6.198 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409164399 1072660028 /nfs/dbraw/zinc/66/00/28/1072660028.db2.gz HZFXAMYFJQPZIW-GOHWNWGWSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409162725 1072667531 /nfs/dbraw/zinc/66/75/31/1072667531.db2.gz YXZQBBQUWFFXKA-MTDXEUNCSA-N -1 0 521.573 5.557 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409378815 1072673054 /nfs/dbraw/zinc/67/30/54/1072673054.db2.gz RYTDENSKBGULMT-RGVLZGJSSA-N -1 0 637.326 6.571 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409162047 1072673117 /nfs/dbraw/zinc/67/31/17/1072673117.db2.gz CFFCSOKPLKCUMV-KYTVRQNUSA-N -1 0 589.313 8.177 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409378688 1072674124 /nfs/dbraw/zinc/67/41/24/1072674124.db2.gz ROGYDWPJSWUHKA-WQRHYEAKSA-N -1 0 569.442 5.188 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409378762 1072674594 /nfs/dbraw/zinc/67/45/94/1072674594.db2.gz RIURZGDZTFLFOW-PDGQHHTCSA-N -1 0 584.412 5.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000409378400 1072676309 /nfs/dbraw/zinc/67/63/09/1072676309.db2.gz OUGVKDLSBCNACI-UZUMKDMXSA-N -1 0 578.472 5.261 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c2)cc1C ZINC000409385707 1072691624 /nfs/dbraw/zinc/69/16/24/1072691624.db2.gz JPMMFPYGHWJRNF-DEDYPNTBSA-N -1 0 554.455 5.459 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409167267 1072700231 /nfs/dbraw/zinc/70/02/31/1072700231.db2.gz ICCGQMGFLZYVFS-OJLQRUNKSA-N -1 0 575.286 7.868 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1)Nc1ccccc1F ZINC000409383069 1072704202 /nfs/dbraw/zinc/70/42/02/1072704202.db2.gz UFQHRNLDXWXSKA-ITYLOYPMSA-N -1 0 565.557 5.089 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409382158 1072708052 /nfs/dbraw/zinc/70/80/52/1072708052.db2.gz YQGPCGHZXSHENH-LPYMAVHISA-N -1 0 555.483 6.365 40 10 KKCBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409381157 1072713129 /nfs/dbraw/zinc/71/31/29/1072713129.db2.gz DGZFHYJAJGMPLP-WIJRQFRKSA-N -1 0 523.836 5.120 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409381054 1072714567 /nfs/dbraw/zinc/71/45/67/1072714567.db2.gz RFSIJGDGMQZYNZ-UQQQWYQISA-N -1 0 612.038 5.612 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000409381039 1072714684 /nfs/dbraw/zinc/71/46/84/1072714684.db2.gz RCKURTCHUCTBLV-VCHYOVAHSA-N -1 0 584.412 5.003 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C1=O ZINC000409380744 1072716458 /nfs/dbraw/zinc/71/64/58/1072716458.db2.gz HNTYDXHYLSNGHC-WJDWOHSUSA-N -1 0 542.350 5.125 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409379616 1072722377 /nfs/dbraw/zinc/72/23/77/1072722377.db2.gz YOYWCXDXVFTTIS-MTJSOVHGSA-N -1 0 632.907 5.926 40 10 KKCBRM CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)SC1=S ZINC000409379388 1072722753 /nfs/dbraw/zinc/72/27/53/1072722753.db2.gz WPGKJUBZCOFZRU-SXGWCWSVSA-N -1 0 651.285 5.394 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409392989 1072725241 /nfs/dbraw/zinc/72/52/41/1072725241.db2.gz ONOSHCQGZFCBBG-DIBXZPPDSA-N -1 0 544.998 6.526 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409389445 1072731969 /nfs/dbraw/zinc/73/19/69/1072731969.db2.gz BBBWFZKIONFLAC-PCLIKHOPSA-N -1 0 539.573 5.215 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000409389462 1072732517 /nfs/dbraw/zinc/73/25/17/1072732517.db2.gz ZNWRDYAJFFBXAO-LPYMAVHISA-N -1 0 511.430 5.966 40 10 KKCBRM COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)o1 ZINC000409389190 1072733714 /nfs/dbraw/zinc/73/37/14/1072733714.db2.gz AOLZUVPLRRHHOG-GZTJUZNOSA-N -1 0 538.343 5.042 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409387643 1072742843 /nfs/dbraw/zinc/74/28/43/1072742843.db2.gz RVYHCKSKYHJRQR-CIAFOILYSA-N -1 0 596.459 5.339 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409400541 1072745010 /nfs/dbraw/zinc/74/50/10/1072745010.db2.gz SWDXNAJZFXEEAF-ZDLGFXPLSA-N -1 0 528.746 5.051 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409400545 1072745135 /nfs/dbraw/zinc/74/51/35/1072745135.db2.gz SXGAZAIQGFXBRR-ZDLGFXPLSA-N -1 0 607.096 6.015 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409400439 1072745241 /nfs/dbraw/zinc/74/52/41/1072745241.db2.gz QWUHPDUGINXSIL-UYRXBGFRSA-N -1 0 584.854 5.289 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2I)cc1 ZINC000409399825 1072747606 /nfs/dbraw/zinc/74/76/06/1072747606.db2.gz NCVOOHHHZWOZSE-ODLFYWEKSA-N -1 0 636.227 5.245 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C(=O)[N-]C1=S ZINC000409169763 1072748470 /nfs/dbraw/zinc/74/84/70/1072748470.db2.gz ZJHPVCKUWXMABZ-YZSQISJMSA-N -1 0 555.631 5.652 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1Br ZINC000409398718 1072751469 /nfs/dbraw/zinc/75/14/69/1072751469.db2.gz CBQAMDVXWBKUEL-UNOMPAQXSA-N -1 0 528.200 5.252 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1F ZINC000409398856 1072751550 /nfs/dbraw/zinc/75/15/50/1072751550.db2.gz DYCOVSIAHIYAOL-PDGQHHTCSA-N -1 0 590.243 5.790 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185952 1072765424 /nfs/dbraw/zinc/76/54/24/1072765424.db2.gz TVXDHDDCERWVGX-DKDMBQFYSA-N -1 0 762.284 8.019 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186024 1072765952 /nfs/dbraw/zinc/76/59/52/1072765952.db2.gz VJHCGEJZHDPRQP-KGZYNADJSA-N -1 0 686.186 6.205 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184614 1072774928 /nfs/dbraw/zinc/77/49/28/1072774928.db2.gz HJLLWXNRUSYKMC-WLNVPOHISA-N -1 0 747.611 6.148 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184353 1072777165 /nfs/dbraw/zinc/77/71/65/1072777165.db2.gz WIGMGTWVOQNSLW-DKDMBQFYSA-N -1 0 806.735 8.128 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OCC)c(OCC(=O)[O-])cc2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184405 1072777619 /nfs/dbraw/zinc/77/76/19/1072777619.db2.gz GMUXFGZCGMUMFG-BSPUBTSWSA-N -1 0 744.664 6.704 40 10 KKCBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409409459 1072810029 /nfs/dbraw/zinc/81/00/29/1072810029.db2.gz VKPPJPKCRAOEQP-GRSHGNNSSA-N -1 0 592.671 5.914 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1OCC ZINC000409193340 1072825019 /nfs/dbraw/zinc/82/50/19/1072825019.db2.gz JENSKIPXEMHNSK-WEMUVCOSSA-N -1 0 614.698 7.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409196504 1072831310 /nfs/dbraw/zinc/83/13/10/1072831310.db2.gz ZVOSWEIKAVJNTB-ZVHZXABRSA-N -1 0 611.066 6.306 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409195175 1072838071 /nfs/dbraw/zinc/83/80/71/1072838071.db2.gz RXKQLYZGWLXBSN-FSJBWODESA-N -1 0 706.417 7.583 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409194936 1072840485 /nfs/dbraw/zinc/84/04/85/1072840485.db2.gz NDKBPOIZFIXHSJ-OGLMXYFKSA-N -1 0 687.587 7.430 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192840 1072853042 /nfs/dbraw/zinc/85/30/42/1072853042.db2.gz FVMWGDTXKMRLOI-WSDLNYQXSA-N -1 0 690.360 6.779 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409192102 1072857354 /nfs/dbraw/zinc/85/73/54/1072857354.db2.gz ACJVUNUPSNSPBZ-WPWMEQJKSA-N -1 0 633.528 7.575 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409191897 1072860181 /nfs/dbraw/zinc/86/01/81/1072860181.db2.gz PVFQCCULWJVCPK-CIAFOILYSA-N -1 0 667.951 6.264 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409191199 1072863583 /nfs/dbraw/zinc/86/35/83/1072863583.db2.gz DFIHWNHSJHSSGH-HYARGMPZSA-N -1 0 617.913 7.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409191286 1072864159 /nfs/dbraw/zinc/86/41/59/1072864159.db2.gz UORMXLMQTDFNMS-HYARGMPZSA-N -1 0 583.468 6.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191320 1072864560 /nfs/dbraw/zinc/86/45/60/1072864560.db2.gz VLLHAAIPSVRHAM-OEAKJJBVSA-N -1 0 722.010 6.118 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409191318 1072864588 /nfs/dbraw/zinc/86/45/88/1072864588.db2.gz VJOHSLPYHAJQMZ-SSDVNMTOSA-N -1 0 692.390 7.193 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190705 1072868320 /nfs/dbraw/zinc/86/83/20/1072868320.db2.gz VKHXCYIQUCMBAM-PCLIKHOPSA-N -1 0 593.076 6.167 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1OCC ZINC000409189727 1072874010 /nfs/dbraw/zinc/87/40/10/1072874010.db2.gz SBDDOLKRMMEBIO-PCLIKHOPSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189584 1072874974 /nfs/dbraw/zinc/87/49/74/1072874974.db2.gz QVQBHLOMLVXPLC-BUVRLJJBSA-N -1 0 623.500 5.886 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409189188 1072877793 /nfs/dbraw/zinc/87/77/93/1072877793.db2.gz FDDGWWGJGWNCKR-HZHRSRAPSA-N -1 0 579.049 5.777 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OCC ZINC000409188099 1072884862 /nfs/dbraw/zinc/88/48/62/1072884862.db2.gz AJJNBHWSDQLRFX-WPWMEQJKSA-N -1 0 599.083 6.922 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000409198998 1072927387 /nfs/dbraw/zinc/92/73/87/1072927387.db2.gz MWEFHIYZEYEXHR-RQZCQDPDSA-N -1 0 562.500 5.697 40 10 KKCBRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)o1 ZINC000409198545 1072929555 /nfs/dbraw/zinc/92/95/55/1072929555.db2.gz BXKDFLWTDJJFLT-FBHDLOMBSA-N -1 0 508.621 5.094 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226667 1072972567 /nfs/dbraw/zinc/97/25/67/1072972567.db2.gz QSZMZQNBFGQHDH-CIAFOILYSA-N -1 0 675.863 5.036 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409226428 1072974072 /nfs/dbraw/zinc/97/40/72/1072974072.db2.gz WDEYKOZUSLAMEY-KEBDBYFISA-N -1 0 659.864 5.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409225149 1072980217 /nfs/dbraw/zinc/98/02/17/1072980217.db2.gz PAGWLAZBNNJPCA-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409225089 1072980289 /nfs/dbraw/zinc/98/02/89/1072980289.db2.gz NGZOXNRPVDNWAZ-HYARGMPZSA-N -1 0 656.917 5.974 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000409224821 1072981811 /nfs/dbraw/zinc/98/18/11/1072981811.db2.gz MFXWKOXVFBYJKY-CIAFOILYSA-N -1 0 675.863 5.036 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409224820 1072981969 /nfs/dbraw/zinc/98/19/69/1072981969.db2.gz MWMSRBRXCARDNA-UDWIEESQSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409224483 1072982766 /nfs/dbraw/zinc/98/27/66/1072982766.db2.gz LWIVWRCJLSBUGY-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409224501 1072982957 /nfs/dbraw/zinc/98/29/57/1072982957.db2.gz KNUMXJNGILVVCZ-WSDLNYQXSA-N -1 0 539.407 5.474 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409222765 1072991173 /nfs/dbraw/zinc/99/11/73/1072991173.db2.gz CIOOCLMLUCHUQK-WPWMEQJKSA-N -1 0 596.039 5.911 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OCC ZINC000409222577 1072991695 /nfs/dbraw/zinc/99/16/95/1072991695.db2.gz CBXMBMVBAPZQIV-WOJGMQOQSA-N -1 0 517.445 5.201 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409222509 1072993354 /nfs/dbraw/zinc/99/33/54/1072993354.db2.gz DLEAUTNKSRKEAB-HYARGMPZSA-N -1 0 598.439 5.475 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222331 1072993736 /nfs/dbraw/zinc/99/37/36/1072993736.db2.gz CMTJRCTZOJWVKT-OGLMXYFKSA-N -1 0 731.543 6.261 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222078 1072995932 /nfs/dbraw/zinc/99/59/32/1072995932.db2.gz ALQBUTPAXHTXHD-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000409221026 1073001199 /nfs/dbraw/zinc/00/11/99/1073001199.db2.gz JMGYCKSVOXFGSW-ANYBSYGZSA-N -1 0 553.687 7.259 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c(Br)c1 ZINC000409220602 1073003829 /nfs/dbraw/zinc/00/38/29/1073003829.db2.gz BZYGSQGEDQMYLQ-BOPFTXTBSA-N -1 0 535.341 5.868 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409220316 1073005546 /nfs/dbraw/zinc/00/55/46/1073005546.db2.gz WQSKTJXSCJHKIR-GIJQJNRQSA-N -1 0 678.677 5.457 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)o1 ZINC000409219260 1073008453 /nfs/dbraw/zinc/00/84/53/1073008453.db2.gz OWHNSLUHWYWKOD-NHDPSOOVSA-N -1 0 526.364 5.635 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219279 1073009123 /nfs/dbraw/zinc/00/91/23/1073009123.db2.gz KTCGUCMGMLXGPV-FYJGNVAPSA-N -1 0 598.837 5.185 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409219169 1073010379 /nfs/dbraw/zinc/01/03/79/1073010379.db2.gz JYJOKSQLRCVEGJ-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409218873 1073011419 /nfs/dbraw/zinc/01/14/19/1073011419.db2.gz HZNPKRIGFJJPGS-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1Cl ZINC000409217694 1073015162 /nfs/dbraw/zinc/01/51/62/1073015162.db2.gz FJHFYUYHLRDUJQ-QGMBQPNBSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409229785 1073018636 /nfs/dbraw/zinc/01/86/36/1073018636.db2.gz VAJVZCCPAJFMHD-BKUYFWCQSA-N -1 0 508.441 5.305 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409227646 1073031527 /nfs/dbraw/zinc/03/15/27/1073031527.db2.gz ZVYVQTCSMILXJM-VUTHCHCSSA-N -1 0 605.647 5.657 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227408 1073031764 /nfs/dbraw/zinc/03/17/64/1073031764.db2.gz ZWWPJNIVQSDEEQ-SRZZPIQSSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409227306 1073032130 /nfs/dbraw/zinc/03/21/30/1073032130.db2.gz XVBMWROIZFPEOW-FYJGNVAPSA-N -1 0 568.811 5.095 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227338 1073032209 /nfs/dbraw/zinc/03/22/09/1073032209.db2.gz XYXFGIXSBSYOLC-KEBDBYFISA-N -1 0 602.858 6.038 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409236662 1073037180 /nfs/dbraw/zinc/03/71/80/1073037180.db2.gz SVWYMQJJSDIXBU-UCQKPKSFSA-N -1 0 522.468 5.811 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409232118 1073062699 /nfs/dbraw/zinc/06/26/99/1073062699.db2.gz OCGPFVSITHFARI-CVKSISIWSA-N -1 0 610.057 7.177 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000409231737 1073064230 /nfs/dbraw/zinc/06/42/30/1073064230.db2.gz LYONKHCERMLTPZ-XHPQRKPJSA-N -1 0 505.574 5.826 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409231333 1073064989 /nfs/dbraw/zinc/06/49/89/1073064989.db2.gz BYAFJOXYKZYLCY-JFLMPSFJSA-N -1 0 604.559 7.428 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409230257 1073071337 /nfs/dbraw/zinc/07/13/37/1073071337.db2.gz CUOROZHWYZGNOS-VEILYXNESA-N -1 0 628.075 8.315 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409246818 1073073216 /nfs/dbraw/zinc/07/32/16/1073073216.db2.gz DVYWFBUIYALZDO-JAIQZWGSSA-N -1 0 589.886 5.800 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)c1 ZINC000409245240 1073084670 /nfs/dbraw/zinc/08/46/70/1073084670.db2.gz POBACRKYGUSYTA-YDZHTSKRSA-N -1 0 562.573 5.439 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409244926 1073086190 /nfs/dbraw/zinc/08/61/90/1073086190.db2.gz KQNQCRZJAGORJO-LICLKQGHSA-N -1 0 547.236 6.138 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409244860 1073087075 /nfs/dbraw/zinc/08/70/75/1073087075.db2.gz JRQSNAZKPXNEPB-YDZHTSKRSA-N -1 0 569.468 5.653 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409244482 1073088053 /nfs/dbraw/zinc/08/80/53/1073088053.db2.gz DGCGPKWJJFEUIQ-LPYMAVHISA-N -1 0 522.026 5.064 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000409244511 1073088079 /nfs/dbraw/zinc/08/80/79/1073088079.db2.gz DUXXQNFRCJQIHK-VXLYETTFSA-N -1 0 533.959 5.606 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000409244103 1073090141 /nfs/dbraw/zinc/09/01/41/1073090141.db2.gz XSCIHIIMGLIRFI-LDADJPATSA-N -1 0 520.330 5.090 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409243388 1073093275 /nfs/dbraw/zinc/09/32/75/1073093275.db2.gz WBFSZGBMDOTNGC-WSDLNYQXSA-N -1 0 547.011 5.212 40 10 KKCBRM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409242284 1073097088 /nfs/dbraw/zinc/09/70/88/1073097088.db2.gz WQAZFCKRGDAMEA-WQRHYEAKSA-N -1 0 501.442 5.013 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409238421 1073120879 /nfs/dbraw/zinc/12/08/79/1073120879.db2.gz ZTUROGOGGIJCKK-IPPBACCNSA-N -1 0 584.185 7.355 40 10 KKCBRM Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c3ccccc32)c1 ZINC000409237321 1073126926 /nfs/dbraw/zinc/12/69/26/1073126926.db2.gz IAFXVLRNKPCTIW-WGOQTCKBSA-N -1 0 536.657 5.543 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409251143 1073131244 /nfs/dbraw/zinc/13/12/44/1073131244.db2.gz OQWLVVUJSRLHTL-LICLKQGHSA-N -1 0 663.706 5.558 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1OCC ZINC000409250628 1073133937 /nfs/dbraw/zinc/13/39/37/1073133937.db2.gz MGWSCFDKYDEKFL-HZHRSRAPSA-N -1 0 606.075 5.828 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409250395 1073135805 /nfs/dbraw/zinc/13/58/05/1073135805.db2.gz KWQQGYCXZCLELE-UUYOSTAYSA-N -1 0 653.473 5.217 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409249869 1073138569 /nfs/dbraw/zinc/13/85/69/1073138569.db2.gz IXSMPRWEWXOGKT-XKZIYDEJSA-N -1 0 564.063 5.204 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409249608 1073140246 /nfs/dbraw/zinc/14/02/46/1073140246.db2.gz JZFWWMKSZWQOPB-WOJGMQOQSA-N -1 0 616.827 5.324 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409249386 1073142631 /nfs/dbraw/zinc/14/26/31/1073142631.db2.gz HSSFKLOWWYMGDY-GRSHGNNSSA-N -1 0 708.336 6.297 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409249188 1073143280 /nfs/dbraw/zinc/14/32/80/1073143280.db2.gz GSMXMWXAVXRPKQ-WQRHYEAKSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1C ZINC000409248720 1073146167 /nfs/dbraw/zinc/14/61/67/1073146167.db2.gz FQKDNMIKKMRAJR-UKWGHVSLSA-N -1 0 583.384 5.202 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409248477 1073148402 /nfs/dbraw/zinc/14/84/02/1073148402.db2.gz GSXOILJEEMDKRM-DJKKODMXSA-N -1 0 663.827 5.085 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1C ZINC000409248379 1073149305 /nfs/dbraw/zinc/14/93/05/1073149305.db2.gz FXZAZCAMWLTGLR-OCKHKDLRSA-N -1 0 583.384 5.202 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000409248398 1073149658 /nfs/dbraw/zinc/14/96/58/1073149658.db2.gz GCWPDHXAKDFUEZ-JAIQZWGSSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409247821 1073152987 /nfs/dbraw/zinc/15/29/87/1073152987.db2.gz OCORZOYQPAUKDN-JJIBRWJFSA-N -1 0 613.139 6.915 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OCC ZINC000409247670 1073153689 /nfs/dbraw/zinc/15/36/89/1073153689.db2.gz ADEFMXRJLMVRDM-ZVHZXABRSA-N -1 0 727.552 5.788 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1 ZINC000409255393 1073156599 /nfs/dbraw/zinc/15/65/99/1073156599.db2.gz HQDJCQKXJJEXKC-OEAKJJBVSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1C ZINC000409255370 1073156609 /nfs/dbraw/zinc/15/66/09/1073156609.db2.gz HMQHTOXGZSNSRK-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409255344 1073156671 /nfs/dbraw/zinc/15/66/71/1073156671.db2.gz JPXTUGGNTUTKKP-ZDLGFXPLSA-N -1 0 560.846 5.496 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)C2=O)cc1OCC ZINC000409256973 1073159078 /nfs/dbraw/zinc/15/90/78/1073159078.db2.gz QXFXHHCPJRXTHU-BUVRLJJBSA-N -1 0 592.048 5.520 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000409256868 1073160184 /nfs/dbraw/zinc/16/01/84/1073160184.db2.gz MOKHLQNUEDRIOP-WQRHYEAKSA-N -1 0 613.262 5.204 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1Cl ZINC000409256478 1073160555 /nfs/dbraw/zinc/16/05/55/1073160555.db2.gz LODRLHIEVHGDKT-LSCVHKIXSA-N -1 0 682.152 6.511 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccccc1 ZINC000409256104 1073163854 /nfs/dbraw/zinc/16/38/54/1073163854.db2.gz NXVXVYFGTCLKOI-GIJQJNRQSA-N -1 0 633.680 5.549 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409255751 1073165278 /nfs/dbraw/zinc/16/52/78/1073165278.db2.gz IQXWRHIOKDUYCC-JMIUGGIZSA-N -1 0 647.309 6.147 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409255832 1073165886 /nfs/dbraw/zinc/16/58/86/1073165886.db2.gz JBBCSCABVYSCET-ZDLGFXPLSA-N -1 0 633.680 5.549 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OCC ZINC000409255152 1073168196 /nfs/dbraw/zinc/16/81/96/1073168196.db2.gz GKCJAJBSGVNIEY-DEDYPNTBSA-N -1 0 735.813 6.736 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409255200 1073168726 /nfs/dbraw/zinc/16/87/26/1073168726.db2.gz GRBYTUGJVWYBKX-NTFVMDSBSA-N -1 0 684.543 6.337 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409254709 1073170412 /nfs/dbraw/zinc/17/04/12/1073170412.db2.gz ZZKZLQWBTZZCRO-NDENLUEZSA-N -1 0 568.413 5.384 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1OCC ZINC000409254825 1073170968 /nfs/dbraw/zinc/17/09/68/1073170968.db2.gz FWESCOHVJTXBTF-HZHRSRAPSA-N -1 0 650.526 5.937 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254259 1073173797 /nfs/dbraw/zinc/17/37/97/1073173797.db2.gz ICOJOCXPIDFMRF-YUMHPJSZSA-N -1 0 626.065 5.920 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409254313 1073174343 /nfs/dbraw/zinc/17/43/43/1073174343.db2.gz WXTHAJQSKONKJL-XYGWBWBKSA-N -1 0 751.961 6.606 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)c(C)c1 ZINC000409253657 1073180747 /nfs/dbraw/zinc/18/07/47/1073180747.db2.gz XTQIPAVRBFPLPA-NHDPSOOVSA-N -1 0 655.343 6.129 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409253079 1073184140 /nfs/dbraw/zinc/18/41/40/1073184140.db2.gz AOWBBLKURWLFII-CEUNXORHSA-N -1 0 619.674 5.965 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 ZINC000409252836 1073184628 /nfs/dbraw/zinc/18/46/28/1073184628.db2.gz UEDYSTVFYINGME-YUMHPJSZSA-N -1 0 733.413 7.091 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409252782 1073185996 /nfs/dbraw/zinc/18/59/96/1073185996.db2.gz SZGAVWMEVHWKRG-RGVLZGJSSA-N -1 0 659.864 5.336 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409252504 1073186156 /nfs/dbraw/zinc/18/61/56/1073186156.db2.gz CBANHCNLZNPPJQ-IUXPMGMMSA-N -1 0 682.152 6.511 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409252254 1073188254 /nfs/dbraw/zinc/18/82/54/1073188254.db2.gz CXNOGIXXWXKGEH-KEBDBYFISA-N -1 0 659.864 5.254 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409252064 1073189191 /nfs/dbraw/zinc/18/91/91/1073189191.db2.gz RWMQFQBQHCAGGP-JAIQZWGSSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1C ZINC000409251800 1073190993 /nfs/dbraw/zinc/19/09/93/1073190993.db2.gz BQOFENKQZYUOML-KEBDBYFISA-N -1 0 675.761 6.474 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409262480 1073193490 /nfs/dbraw/zinc/19/34/90/1073193490.db2.gz FIBHXZQVVZVFBF-KEBDBYFISA-N -1 0 677.733 5.866 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1Cl ZINC000409265271 1073194950 /nfs/dbraw/zinc/19/49/50/1073194950.db2.gz UEZHHLSRLWYVKI-UDWIEESQSA-N -1 0 582.838 5.403 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409266993 1073197498 /nfs/dbraw/zinc/19/74/98/1073197498.db2.gz ZSAHXYPMKQQMLE-DEDYPNTBSA-N -1 0 686.943 5.983 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3C)C2=O)cc1OC ZINC000409266859 1073198819 /nfs/dbraw/zinc/19/88/19/1073198819.db2.gz YTQVKPKMIWRMRQ-BKUYFWCQSA-N -1 0 701.368 6.001 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1OC ZINC000409266935 1073199252 /nfs/dbraw/zinc/19/92/52/1073199252.db2.gz SIXALRKCNOPEPN-JCMHNJIXSA-N -1 0 622.472 5.239 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409266905 1073199355 /nfs/dbraw/zinc/19/93/55/1073199355.db2.gz YYTNLIBGVNAYRA-QRQIAZFYSA-N -1 0 698.570 6.728 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409266530 1073200149 /nfs/dbraw/zinc/20/01/49/1073200149.db2.gz ZNGACDCOSIDRBC-NDENLUEZSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000409266537 1073200637 /nfs/dbraw/zinc/20/06/37/1073200637.db2.gz ZRZUWYJSQLTPJH-UNOMPAQXSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409266636 1073201097 /nfs/dbraw/zinc/20/10/97/1073201097.db2.gz KONRKMIXVHUDJJ-STZFKDTASA-N -1 0 547.995 5.039 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409266253 1073202738 /nfs/dbraw/zinc/20/27/38/1073202738.db2.gz QBUMKFDJQJYUBT-QRQIAZFYSA-N -1 0 745.570 6.570 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000409266151 1073203552 /nfs/dbraw/zinc/20/35/52/1073203552.db2.gz OZCOVPUQOVKBCO-UCQKPKSFSA-N -1 0 576.447 5.367 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1OC ZINC000409265804 1073204832 /nfs/dbraw/zinc/20/48/32/1073204832.db2.gz PHJZJBLSTLASQV-UCQKPKSFSA-N -1 0 666.525 5.638 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409265821 1073204883 /nfs/dbraw/zinc/20/48/83/1073204883.db2.gz VUWVAEKHVDBARO-QRVIBDJDSA-N -1 0 620.500 5.765 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1C ZINC000409265887 1073205323 /nfs/dbraw/zinc/20/53/23/1073205323.db2.gz UUTIFYSKXFISNH-NDENLUEZSA-N -1 0 643.357 5.677 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000409265641 1073205695 /nfs/dbraw/zinc/20/56/95/1073205695.db2.gz NCZFZGUZKUWKFB-LICLKQGHSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1C ZINC000409265507 1073206460 /nfs/dbraw/zinc/20/64/60/1073206460.db2.gz SXLUIKXYBPNCOZ-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409265118 1073208255 /nfs/dbraw/zinc/20/82/55/1073208255.db2.gz SHMKIOSLCLDXPP-GRSHGNNSSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000409265131 1073208769 /nfs/dbraw/zinc/20/87/69/1073208769.db2.gz SISDHFFRFUKDIW-GRSHGNNSSA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409264959 1073209250 /nfs/dbraw/zinc/20/92/50/1073209250.db2.gz LYSLNYJWMZUIBZ-QRVIBDJDSA-N -1 0 576.049 5.656 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000409265048 1073209585 /nfs/dbraw/zinc/20/95/85/1073209585.db2.gz MJPLDDIWYPIHEF-FYJGNVAPSA-N -1 0 627.289 5.512 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1C ZINC000409264778 1073210049 /nfs/dbraw/zinc/21/00/49/1073210049.db2.gz QAVIKJQZEJTZDP-SRZZPIQSSA-N -1 0 645.279 5.651 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409264829 1073210087 /nfs/dbraw/zinc/21/00/87/1073210087.db2.gz GDTHZPKPWMDONQ-JAIQZWGSSA-N -1 0 612.864 5.412 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409264875 1073210519 /nfs/dbraw/zinc/21/05/19/1073210519.db2.gz GULYSLABNAFTNS-NTFVMDSBSA-N -1 0 640.092 6.228 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000409264876 1073210589 /nfs/dbraw/zinc/21/05/89/1073210589.db2.gz GVDKOHVXIQDQNR-MTJSOVHGSA-N -1 0 656.917 5.892 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409264528 1073211747 /nfs/dbraw/zinc/21/17/47/1073211747.db2.gz KSQLLVGWGLJBBT-JAIQZWGSSA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000409264345 1073212469 /nfs/dbraw/zinc/21/24/69/1073212469.db2.gz DUGSTHRZKDEHSZ-SRZZPIQSSA-N -1 0 642.890 5.502 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409263835 1073216277 /nfs/dbraw/zinc/21/62/77/1073216277.db2.gz MVBDUBVHPASEME-YVLHZVERSA-N -1 0 661.734 6.166 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409263860 1073216290 /nfs/dbraw/zinc/21/62/90/1073216290.db2.gz MYYRJGHAZSRDOH-BOPFTXTBSA-N -1 0 589.229 5.440 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409263667 1073217092 /nfs/dbraw/zinc/21/70/92/1073217092.db2.gz LZQYTGDBSIWKAA-UUYOSTAYSA-N -1 0 637.443 5.057 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1Cl ZINC000409263288 1073219182 /nfs/dbraw/zinc/21/91/82/1073219182.db2.gz BNOCSEQKSNFOPL-QGMBQPNBSA-N -1 0 576.795 5.778 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OCC ZINC000409262799 1073220332 /nfs/dbraw/zinc/22/03/32/1073220332.db2.gz HKOMDMNEJZNVLN-OEAKJJBVSA-N -1 0 729.422 6.700 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409262675 1073221487 /nfs/dbraw/zinc/22/14/87/1073221487.db2.gz JMMXYYONNYPAAK-MOSHPQCFSA-N -1 0 642.492 5.873 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409262278 1073221818 /nfs/dbraw/zinc/22/18/18/1073221818.db2.gz HIFWGSRIRTXROQ-YBEGLDIGSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000409262282 1073221842 /nfs/dbraw/zinc/22/18/42/1073221842.db2.gz GMRCBFOOARFNDQ-JAIQZWGSSA-N -1 0 627.289 5.512 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1 ZINC000409262708 1073221927 /nfs/dbraw/zinc/22/19/27/1073221927.db2.gz GNJDOFHASWGARM-ZDLGFXPLSA-N -1 0 586.859 6.256 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409261888 1073224474 /nfs/dbraw/zinc/22/44/74/1073224474.db2.gz FCCYIBNDXZFNBH-YSMPRRRNSA-N -1 0 739.804 7.128 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409261725 1073225277 /nfs/dbraw/zinc/22/52/77/1073225277.db2.gz AOYVJEMKDFVFIZ-CXUHLZMHSA-N -1 0 623.674 6.093 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261667 1073226561 /nfs/dbraw/zinc/22/65/61/1073226561.db2.gz ACQHZASTCGWSPJ-RHANQZHGSA-N -1 0 745.570 6.570 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261432 1073226927 /nfs/dbraw/zinc/22/69/27/1073226927.db2.gz BTDLVSUIRNTLOW-JMIUGGIZSA-N -1 0 704.861 5.244 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1C ZINC000409261535 1073227725 /nfs/dbraw/zinc/22/77/25/1073227725.db2.gz CUTGCWQHOIZENM-NHDPSOOVSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1Cl ZINC000409261318 1073228046 /nfs/dbraw/zinc/22/80/46/1073228046.db2.gz CYBFJUHIDVGTQM-GRSHGNNSSA-N -1 0 613.808 5.003 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409260897 1073231016 /nfs/dbraw/zinc/23/10/16/1073231016.db2.gz YFPRZBXJQRMUEF-UFWORHAWSA-N -1 0 647.309 6.065 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000409260778 1073232455 /nfs/dbraw/zinc/23/24/55/1073232455.db2.gz WGEZTMSUXSGKLU-CIAFOILYSA-N -1 0 568.413 5.384 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409260630 1073233117 /nfs/dbraw/zinc/23/31/17/1073233117.db2.gz SZGFMWYQRKUCSM-WSDLNYQXSA-N -1 0 565.985 5.179 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409260254 1073234675 /nfs/dbraw/zinc/23/46/75/1073234675.db2.gz NJILROKPJGCELN-YUMHPJSZSA-N -1 0 684.543 6.337 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000409260083 1073237003 /nfs/dbraw/zinc/23/70/03/1073237003.db2.gz KKZMTJWPXDQEAE-MFOYZWKCSA-N -1 0 680.282 5.599 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1Cl ZINC000409258678 1073243879 /nfs/dbraw/zinc/24/38/79/1073243879.db2.gz YRBGWIVREMJYQF-LZYBPNLTSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000409258428 1073246269 /nfs/dbraw/zinc/24/62/69/1073246269.db2.gz UXRLLBDOPQLVAX-CEUNXORHSA-N -1 0 575.621 5.566 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000409258207 1073246824 /nfs/dbraw/zinc/24/68/24/1073246824.db2.gz UEUYCYJQSINVDE-IUXPMGMMSA-N -1 0 607.277 6.601 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409257825 1073249634 /nfs/dbraw/zinc/24/96/34/1073249634.db2.gz QLGGKZNAEMEIPN-CFRMEGHHSA-N -1 0 667.500 5.607 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000409257498 1073250820 /nfs/dbraw/zinc/25/08/20/1073250820.db2.gz RWJMKJHRICHRRK-JAIQZWGSSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1C ZINC000409272359 1073254898 /nfs/dbraw/zinc/25/48/98/1073254898.db2.gz PUMBBEWVYKZSHM-VXLYETTFSA-N -1 0 706.185 6.275 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409272348 1073256497 /nfs/dbraw/zinc/25/64/97/1073256497.db2.gz GFOJJGBBVTZTDO-MFKUBSTISA-N -1 0 525.586 5.621 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409272139 1073258074 /nfs/dbraw/zinc/25/80/74/1073258074.db2.gz OWRKIQBPRPZVKE-UUYOSTAYSA-N -1 0 606.473 5.375 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c(C)c1 ZINC000409271220 1073264529 /nfs/dbraw/zinc/26/45/29/1073264529.db2.gz KRCFRKGHIMHXJZ-UNOMPAQXSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)c1C ZINC000409271237 1073264672 /nfs/dbraw/zinc/26/46/72/1073264672.db2.gz KWDAYMXOJNYDOR-ODLFYWEKSA-N -1 0 554.455 5.459 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409270811 1073268423 /nfs/dbraw/zinc/26/84/23/1073268423.db2.gz HYSLKLVFQCBJLK-DHDCSXOGSA-N -1 0 579.223 5.984 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409269892 1073273315 /nfs/dbraw/zinc/27/33/15/1073273315.db2.gz ASWIZATVFYBSNR-NDENLUEZSA-N -1 0 596.467 6.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409269844 1073274444 /nfs/dbraw/zinc/27/44/44/1073274444.db2.gz AANTZIGYKTUGIL-AWQFTUOYSA-N -1 0 694.309 5.989 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1OC ZINC000409268729 1073281628 /nfs/dbraw/zinc/28/16/28/1073281628.db2.gz YGFNOZJOCYGTRN-HMAPJEAMSA-N -1 0 713.525 5.480 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OCC ZINC000409268718 1073281726 /nfs/dbraw/zinc/28/17/26/1073281726.db2.gz YCWDYCFOURRYBO-KOEQRZSOSA-N -1 0 615.683 5.574 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1 ZINC000409268240 1073285960 /nfs/dbraw/zinc/28/59/60/1073285960.db2.gz YFQKTFDKAAMUAM-HYARGMPZSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000409267645 1073289074 /nfs/dbraw/zinc/28/90/74/1073289074.db2.gz VIQVWQNXTZRZOX-GIJQJNRQSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409273230 1073334113 /nfs/dbraw/zinc/33/41/13/1073334113.db2.gz WGDCWRGDQIPYEM-MTJSOVHGSA-N -1 0 637.443 5.057 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409383008 195516825 /nfs/dbraw/zinc/51/68/25/195516825.db2.gz SOUBZACOTUCUQQ-YBEGLDIGSA-N -1 0 574.804 5.339 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408851775 195491318 /nfs/dbraw/zinc/49/13/18/195491318.db2.gz GBFXELWUEGPSOH-CXUHLZMHSA-N -1 0 657.288 6.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408853228 195495085 /nfs/dbraw/zinc/49/50/85/195495085.db2.gz MMLNBIRQNIHNQI-DJKKODMXSA-N -1 0 646.821 5.317 40 10 KKCBRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000000830767 551546133 /nfs/dbraw/zinc/54/61/33/551546133.db2.gz SYROSFCODYDZJQ-UHFFFAOYSA-N -1 0 514.994 5.288 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000002252202 551801762 /nfs/dbraw/zinc/80/17/62/551801762.db2.gz GLNSSUNKLZPCLB-WGOQTCKBSA-N -1 0 505.961 6.163 40 10 KKCBRM O=C([O-])c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1O ZINC000008820209 553155439 /nfs/dbraw/zinc/15/54/39/553155439.db2.gz BCLXFMRGBKJOFW-UNOMPAQXSA-N -1 0 505.017 5.144 40 10 KKCBRM Cc1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000009260094 553227955 /nfs/dbraw/zinc/22/79/55/553227955.db2.gz RICRNPYAPVFBTH-NTFVMDSBSA-N -1 0 505.618 5.920 40 10 KKCBRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c1 ZINC000013670247 553481659 /nfs/dbraw/zinc/48/16/59/553481659.db2.gz YZYQHIMDCSKMEC-UHFFFAOYSA-N -1 0 512.075 5.678 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000014132927 553501621 /nfs/dbraw/zinc/50/16/21/553501621.db2.gz DHHNDJOEBORFDA-MUFRIFMGSA-N -1 0 533.672 6.537 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000014132720 553501682 /nfs/dbraw/zinc/50/16/82/553501682.db2.gz NEVQOZWGBGBJSG-XDHOZWIPSA-N -1 0 509.331 5.142 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000016292300 553559027 /nfs/dbraw/zinc/55/90/27/553559027.db2.gz MQQVQTLMUVCZJI-OYKKKHCWSA-N -1 0 505.617 5.682 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000016689242 553573476 /nfs/dbraw/zinc/57/34/76/553573476.db2.gz RMJVVQXXNFKXNY-WQRHYEAKSA-N -1 0 517.796 6.086 40 10 KKCBRM COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000020287670 553633011 /nfs/dbraw/zinc/63/30/11/553633011.db2.gz BNFIMFXBKBGQJK-ONUIUJJFSA-N -1 0 514.582 6.063 40 10 KKCBRM CCc1cc(C)cc(OCCOc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000097957920 553849501 /nfs/dbraw/zinc/84/95/01/553849501.db2.gz FEQDTRSDJFBIHP-UQQQWYQISA-N -1 0 563.448 6.593 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000032189270 553866920 /nfs/dbraw/zinc/86/69/20/553866920.db2.gz YAXXLBQXERMYOS-JLPGSUDCSA-N -1 0 505.574 5.813 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12 ZINC000097964372 553897774 /nfs/dbraw/zinc/89/77/74/553897774.db2.gz CDQHGLBBXZYABV-HYARGMPZSA-N -1 0 534.366 5.578 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000097965016 553902161 /nfs/dbraw/zinc/90/21/61/553902161.db2.gz JQJYDXLOVPOPLS-XKZIYDEJSA-N -1 0 555.414 6.583 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3cc(Cl)ccc3Cl)C2=O)cc1Cl ZINC000097965027 553902535 /nfs/dbraw/zinc/90/25/35/553902535.db2.gz IGTXTSOYEACLBI-PDGQHHTCSA-N -1 0 518.784 6.342 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000100193622 554245386 /nfs/dbraw/zinc/24/53/86/554245386.db2.gz RHKUWHMJVHQBNW-RRAHZORUSA-N -1 0 554.562 6.386 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100230174 554255704 /nfs/dbraw/zinc/25/57/04/554255704.db2.gz AGLLIUQSXIAHBD-MFKUBSTISA-N -1 0 585.454 6.555 40 10 KKCBRM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1O ZINC000100232610 554257521 /nfs/dbraw/zinc/25/75/21/554257521.db2.gz DFDRSYDQMPCGSB-LDADJPATSA-N -1 0 518.352 7.129 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000041077942 554293681 /nfs/dbraw/zinc/29/36/81/554293681.db2.gz UCKCMHJYPYDLCV-KOEQRZSOSA-N -1 0 514.578 5.135 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000100320705 554305211 /nfs/dbraw/zinc/30/52/11/554305211.db2.gz QFTIMVHUSBXZOY-VXLYETTFSA-N -1 0 559.775 5.496 40 10 KKCBRM CN(C)c1ccc([C@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000100361785 554345955 /nfs/dbraw/zinc/34/59/55/554345955.db2.gz ASFOZHWZNYVFOK-LJAQVGFWSA-N -1 0 517.629 6.463 40 10 KKCBRM CN(C)c1ccc([C@@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)Nc2ccccc2Br)cc1 ZINC000100361847 554345961 /nfs/dbraw/zinc/34/59/61/554345961.db2.gz CCAQMPTXFJLRMU-JOCHJYFZSA-N -1 0 520.427 5.499 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1 ZINC000058849449 554369046 /nfs/dbraw/zinc/36/90/46/554369046.db2.gz OVMXQJQDQRVMHN-CTVOUCONSA-N -1 0 520.651 6.118 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000058849453 554369099 /nfs/dbraw/zinc/36/90/99/554369099.db2.gz KWLPNOZEEWSEED-ASHZAFPQSA-N -1 0 506.580 5.060 40 10 KKCBRM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849935 554369436 /nfs/dbraw/zinc/36/94/36/554369436.db2.gz CRBNNLHTOXGZAD-CLCZQPDDSA-N -1 0 504.608 5.799 40 10 KKCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(OCc3ccccc3Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000058928874 554371222 /nfs/dbraw/zinc/37/12/22/554371222.db2.gz OWLNLEGVXPJWOO-NMMYMHLASA-N -1 0 510.815 7.206 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059109565 554380832 /nfs/dbraw/zinc/38/08/32/554380832.db2.gz URNUNCTVXIUEQZ-PXLXIMEGSA-N -1 0 505.575 5.237 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000059135992 554381709 /nfs/dbraw/zinc/38/17/09/554381709.db2.gz YMMGDQCJANRLFQ-KGENOOAVSA-N -1 0 503.986 6.462 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000059135773 554381768 /nfs/dbraw/zinc/38/17/68/554381768.db2.gz PRXZNODRLFXDRL-SFQUDFHCSA-N -1 0 511.372 5.839 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000059135853 554381933 /nfs/dbraw/zinc/38/19/33/554381933.db2.gz BMVNLBDWJHPZBF-CPNJWEJPSA-N -1 0 511.372 5.839 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)c2C)cc1Cl ZINC000059136201 554382336 /nfs/dbraw/zinc/38/23/36/554382336.db2.gz WTRALIFZQIKGQK-WOJGMQOQSA-N -1 0 511.962 5.345 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl ZINC000059136155 554382355 /nfs/dbraw/zinc/38/23/55/554382355.db2.gz PMTJQZPKXYPAHW-QGOAFFKASA-N -1 0 510.974 6.128 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000059198499 554385038 /nfs/dbraw/zinc/38/50/38/554385038.db2.gz YIZAMTGGQDTKGO-NDENLUEZSA-N -1 0 514.832 6.182 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000059595855 554408311 /nfs/dbraw/zinc/40/83/11/554408311.db2.gz ICXXCXILKDKFCP-MHWRWJLKSA-N -1 0 503.363 5.102 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000059609047 554411888 /nfs/dbraw/zinc/41/18/88/554411888.db2.gz YPVMBNBDCBLZFS-MYYYXRDXSA-N -1 0 535.643 5.773 40 10 KKCBRM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000100535395 554411988 /nfs/dbraw/zinc/41/19/88/554411988.db2.gz FQXBIKBMVMUDSS-UHFFFAOYSA-N -1 0 508.603 5.251 40 10 KKCBRM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(OC)c1 ZINC000059859997 554456202 /nfs/dbraw/zinc/45/62/02/554456202.db2.gz AJBMYSWWGCBBIP-JFLMPSFJSA-N -1 0 527.665 6.516 40 10 KKCBRM CC(C=C1SC(=S)N(C2=C([O-])N(c3cccc(C(F)(F)F)c3)C(=O)C2)C1=O)=Cc1ccccc1 ZINC000100912633 554518192 /nfs/dbraw/zinc/51/81/92/554518192.db2.gz CNUHCXOHLXJVNY-VQKQTUBZSA-N -1 0 502.539 5.185 40 10 KKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S ZINC000101012665 554558468 /nfs/dbraw/zinc/55/84/68/554558468.db2.gz YXWTUENSAAMBPL-LTGZKZEYSA-N -1 0 540.534 8.050 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000101678202 554828147 /nfs/dbraw/zinc/82/81/47/554828147.db2.gz ANCHMGAZXMYVCN-MFKUBSTISA-N -1 0 542.433 6.044 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000101680337 554828504 /nfs/dbraw/zinc/82/85/04/554828504.db2.gz JXYHMEWTFXNBTC-UDWIEESQSA-N -1 0 600.263 5.856 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000101740819 554834241 /nfs/dbraw/zinc/83/42/41/554834241.db2.gz CQIOGXMZEDJXTR-CAOOACKPSA-N -1 0 547.279 6.011 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000101740605 554834271 /nfs/dbraw/zinc/83/42/71/554834271.db2.gz LAFIWSKDJWJJIX-WOJGMQOQSA-N -1 0 601.338 5.865 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000103780688 555476222 /nfs/dbraw/zinc/47/62/22/555476222.db2.gz ZKNGNRDGFIIULD-WGOQTCKBSA-N -1 0 547.636 5.691 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1 ZINC000103785897 555477656 /nfs/dbraw/zinc/47/76/56/555477656.db2.gz KAXVAHGPWUZLBY-OCKHKDLRSA-N -1 0 618.709 7.257 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103814519 555482354 /nfs/dbraw/zinc/48/23/54/555482354.db2.gz UNJUOBSLNATGES-UDWIEESQSA-N -1 0 535.394 5.320 40 10 KKCBRM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000103815303 555482679 /nfs/dbraw/zinc/48/26/79/555482679.db2.gz DTWKUFJVMVFTLS-VULFUBBASA-N -1 0 567.598 5.998 40 10 KKCBRM COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(Br)cc2)cc1 ZINC000020289004 571360611 /nfs/dbraw/zinc/36/06/11/571360611.db2.gz MASRDELAVRURHR-JCMHNJIXSA-N -1 0 507.344 5.503 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 ZINC000103842715 571362534 /nfs/dbraw/zinc/36/25/34/571362534.db2.gz CYMXWZRDZACDTG-KOEQRZSOSA-N -1 0 558.034 6.115 40 10 KKCBRM COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2c1 ZINC000103843229 571362688 /nfs/dbraw/zinc/36/26/88/571362688.db2.gz PYJXWXAHKMONBI-RWPZCVJISA-N -1 0 536.628 5.991 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(OCC)c3)C2=O)c1 ZINC000103844062 571362800 /nfs/dbraw/zinc/36/28/00/571362800.db2.gz YDNIXIKURFHMJL-LFVJCYFKSA-N -1 0 544.604 5.437 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000103846388 571363465 /nfs/dbraw/zinc/36/34/65/571363465.db2.gz IZVJCPVSDSBGLM-ZVHZXABRSA-N -1 0 564.667 6.441 40 10 KKCBRM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000103846556 571363472 /nfs/dbraw/zinc/36/34/72/571363472.db2.gz LVPSTFVMBWNSRI-JADNIPHLSA-N -1 0 577.519 6.761 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000103849389 571363945 /nfs/dbraw/zinc/36/39/45/571363945.db2.gz 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571365499 /nfs/dbraw/zinc/36/54/99/571365499.db2.gz OCVVWWJLXADUSD-PCLIKHOPSA-N -1 0 560.050 6.297 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000103852447 571365517 /nfs/dbraw/zinc/36/55/17/571365517.db2.gz LPRAJBHRWREHHF-DEDYPNTBSA-N -1 0 538.431 6.275 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1 ZINC000103852740 571365583 /nfs/dbraw/zinc/36/55/83/571365583.db2.gz WIWSRPZQWVITNR-LDADJPATSA-N -1 0 555.425 5.397 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000103853261 571365829 /nfs/dbraw/zinc/36/58/29/571365829.db2.gz CIBLIZJACHVWCW-LDADJPATSA-N -1 0 590.268 5.761 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000103858447 571366608 /nfs/dbraw/zinc/36/66/08/571366608.db2.gz BEWZHFMKYXUYHQ-YBFXNURJSA-N -1 0 601.207 5.365 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000103858371 571366629 /nfs/dbraw/zinc/36/66/29/571366629.db2.gz FZGQQSUUJWMKEY-OEAKJJBVSA-N -1 0 593.275 6.189 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103858747 571366761 /nfs/dbraw/zinc/36/67/61/571366761.db2.gz CNIRXGVHHBCKIO-VXLYETTFSA-N -1 0 586.782 5.265 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000103859185 571366869 /nfs/dbraw/zinc/36/68/69/571366869.db2.gz SBUXFVRZUMRDHZ-XNTDXEJSSA-N -1 0 550.590 5.791 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000103859083 571366877 /nfs/dbraw/zinc/36/68/77/571366877.db2.gz IXWYNWJDDWZPHZ-VCHYOVAHSA-N -1 0 543.761 5.085 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000103859026 571366953 /nfs/dbraw/zinc/36/69/53/571366953.db2.gz AUPXSXBRPHCQAN-VCHYOVAHSA-N -1 0 561.205 5.425 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000103859090 571366957 /nfs/dbraw/zinc/36/69/57/571366957.db2.gz IHCKGMNDCBAVTL-LFVJCYFKSA-N -1 0 535.442 5.369 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103859261 571367026 /nfs/dbraw/zinc/36/70/26/571367026.db2.gz LXPOVAVQRYNFNJ-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000103859202 571367041 /nfs/dbraw/zinc/36/70/41/571367041.db2.gz RCWDHEHSTVVXSI-UDWIEESQSA-N -1 0 569.242 6.425 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000103859242 571367159 /nfs/dbraw/zinc/36/71/59/571367159.db2.gz ZWIFJMLWROBOOO-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103859584 571367269 /nfs/dbraw/zinc/36/72/69/571367269.db2.gz LMJZXOYPSBDJPA-LDADJPATSA-N -1 0 546.204 6.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000103859800 571367293 /nfs/dbraw/zinc/36/72/93/571367293.db2.gz DXHHGIBZANZNLD-USHMODERSA-N -1 0 588.461 7.240 40 10 KKCBRM COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921361 571369825 /nfs/dbraw/zinc/36/98/25/571369825.db2.gz KLCGPETXTRQKAC-JLPGSUDCSA-N -1 0 528.590 5.237 40 10 KKCBRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=NC3C(=O)[C@H](c4ccccc4)N(c4ccccc4)C3=O)cc2)n1 ZINC000104269775 571378173 /nfs/dbraw/zinc/37/81/73/571378173.db2.gz JNYDKZAGIKOUBX-PVBDKRCPSA-N -1 0 540.605 5.536 40 10 KKCBRM Cc1ccc(N=Nc2c(N)c(C)cc(N=Nc3ccc(Sc4ccc(NN=C5C=CC(=O)C(C(=O)[O-])=C5)cc4)cc3)c2N)cc1 ZINC000104389573 571380025 /nfs/dbraw/zinc/38/00/25/571380025.db2.gz GVECBRQRODFKJM-MFFYRYHASA-N -1 0 616.707 10.269 40 10 KKCBRM COc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)ccc1/N=N\c1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1OC ZINC000104389547 571380027 /nfs/dbraw/zinc/38/00/27/571380027.db2.gz GEVQDGCICXEOEU-QUVVFHLXSA-N -1 0 590.618 6.624 40 10 KKCBRM O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648763 571382819 /nfs/dbraw/zinc/38/28/19/571382819.db2.gz JHYNNXZBHXBFLE-SRGWNRLKSA-N -1 0 548.970 6.684 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000104649562 571382940 /nfs/dbraw/zinc/38/29/40/571382940.db2.gz JKHURNNZTZXVFY-LZCXECNNSA-N -1 0 541.467 6.094 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104649788 571383075 /nfs/dbraw/zinc/38/30/75/571383075.db2.gz KDVRARIIJRGIIK-QLODZENZSA-N -1 0 535.880 7.283 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649781 571383080 /nfs/dbraw/zinc/38/30/80/571383080.db2.gz BXENXTSWYLSPRX-WZOHSFFVSA-N -1 0 545.886 6.738 40 10 KKCBRM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104650053 571383124 /nfs/dbraw/zinc/38/31/24/571383124.db2.gz 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CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000223800953 571546509 /nfs/dbraw/zinc/54/65/09/571546509.db2.gz DHALJDOWFPNTMP-KAYWLYCHSA-N -1 0 512.635 5.763 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164382386 571546770 /nfs/dbraw/zinc/54/67/70/571546770.db2.gz VNCLMGSJLSYOAJ-RGVLZGJSSA-N -1 0 665.253 5.837 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000164386359 571546843 /nfs/dbraw/zinc/54/68/43/571546843.db2.gz HIDWKIDPIPCNGD-UDWIEESQSA-N -1 0 621.200 5.438 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000164407645 571547453 /nfs/dbraw/zinc/54/74/53/571547453.db2.gz HTNNTBACWLLMAY-MHWRWJLKSA-N -1 0 624.315 6.704 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000164447295 571547616 /nfs/dbraw/zinc/54/76/16/571547616.db2.gz CNYUEUMYEGSWTF-RQZCQDPDSA-N -1 0 625.100 6.764 40 10 KKCBRM 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KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2I)c1 ZINC000164456676 571548086 /nfs/dbraw/zinc/54/80/86/571548086.db2.gz UCQIJHOFMRAYBZ-VXLYETTFSA-N -1 0 743.133 6.212 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164462445 571548359 /nfs/dbraw/zinc/54/83/59/571548359.db2.gz SADPSETXKLMXQG-VXLYETTFSA-N -1 0 712.132 6.070 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164466179 571548394 /nfs/dbraw/zinc/54/83/94/571548394.db2.gz BJOLWIWUVSUXPH-RGVLZGJSSA-N -1 0 645.260 5.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164467642 571548672 /nfs/dbraw/zinc/54/86/72/571548672.db2.gz BAPNNLRSXFESFL-GIJQJNRQSA-N -1 0 716.153 7.005 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164603187 571550203 /nfs/dbraw/zinc/55/02/03/571550203.db2.gz KONZQEKISARCMB-BUVRLJJBSA-N 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CYLRILAFXYXQRF-SGPNVBEDSA-N -1 0 516.823 5.491 40 10 KKCBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208241232 571573583 /nfs/dbraw/zinc/57/35/83/571573583.db2.gz YDJOUDPJGZKWHF-VVSAQIQQSA-N -1 0 516.823 5.491 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208239034 571573590 /nfs/dbraw/zinc/57/35/90/571573590.db2.gz QWHBUNUXZNMKCZ-HVOBPNNYSA-N -1 0 532.891 5.656 40 10 KKCBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208239078 571573693 /nfs/dbraw/zinc/57/36/93/571573693.db2.gz QWHBUNUXZNMKCZ-SGPNVBEDSA-N -1 0 532.891 5.656 40 10 KKCBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208239892 571573697 /nfs/dbraw/zinc/57/36/97/571573697.db2.gz CYLRILAFXYXQRF-HVOBPNNYSA-N -1 0 516.823 5.491 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208328021 571573837 /nfs/dbraw/zinc/57/38/37/571573837.db2.gz CAEDIXYYAVMRHL-WMRWHDLOSA-N -1 0 510.432 5.536 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208328706 571573854 /nfs/dbraw/zinc/57/38/54/571573854.db2.gz YHSFWKLTCXZPNE-SKCQWOFPSA-N -1 0 500.426 6.080 40 10 KKCBRM CCc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000208526781 571574653 /nfs/dbraw/zinc/57/46/53/571574653.db2.gz HHPXCPUDZZUQCL-UCQKPKSFSA-N -1 0 567.461 6.380 40 10 KKCBRM COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000224572725 571577693 /nfs/dbraw/zinc/57/76/93/571577693.db2.gz WPBZSZREMMGHFB-SXOMAYOGSA-N -1 0 512.635 5.681 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224016440 571595832 /nfs/dbraw/zinc/59/58/32/571595832.db2.gz RJRVROIRXDNXNA-IZZNHLLZSA-N -1 0 512.591 5.093 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224672967 571600165 /nfs/dbraw/zinc/60/01/65/571600165.db2.gz ZDAFDMGDTSAGII-ACHIHNKUSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224094227 571609048 /nfs/dbraw/zinc/60/90/48/571609048.db2.gz HAYNYJDFGMBNIC-WDYNHAJCSA-N -1 0 567.715 6.267 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)cc2)cc1 ZINC000224741557 571612805 /nfs/dbraw/zinc/61/28/05/571612805.db2.gz MIRJCHYZRMYNKX-ROJLCIKYSA-N -1 0 590.705 7.165 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)cc2)cc1 ZINC000224741769 571612891 /nfs/dbraw/zinc/61/28/91/571612891.db2.gz JQXASEYIBFKOGY-ROJLCIKYSA-N -1 0 590.705 7.165 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224778600 571616206 /nfs/dbraw/zinc/61/62/06/571616206.db2.gz WVWOBNOZJRJOLU-ROJLCIKYSA-N -1 0 635.771 7.732 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c(OC)c1 ZINC000224808373 571619025 /nfs/dbraw/zinc/61/90/25/571619025.db2.gz XJRFQBMHYHGVBQ-SXOMAYOGSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)c1 ZINC000224841184 571622326 /nfs/dbraw/zinc/62/23/26/571622326.db2.gz CREVIEBGDKICDY-SVBPBHIXSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224903873 571628477 /nfs/dbraw/zinc/62/84/77/571628477.db2.gz OZLHUASTBDCREZ-RRPNLBNLSA-N -1 0 514.626 6.120 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224931095 571631166 /nfs/dbraw/zinc/63/11/66/571631166.db2.gz HVXGSHSVTBAYCN-FTJBHMTQSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224989158 571636789 /nfs/dbraw/zinc/63/67/89/571636789.db2.gz LHKMFHVXORZNDT-CONSDPRKSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224991773 571637118 /nfs/dbraw/zinc/63/71/18/571637118.db2.gz UZIUALHXJQGEIM-AJQTZOPKSA-N -1 0 614.215 7.563 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225046111 571641797 /nfs/dbraw/zinc/64/17/97/571641797.db2.gz QWWNJRMSKPSDRE-VSGBNLITSA-N -1 0 525.678 5.662 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225077831 571644811 /nfs/dbraw/zinc/64/48/11/571644811.db2.gz PPNURUQYKGWKPT-HEVIKAOCSA-N -1 0 631.758 6.690 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104131 571647611 /nfs/dbraw/zinc/64/76/11/571647611.db2.gz GAZOHPXUQDAWSU-URLMMPGGSA-N -1 0 597.741 6.358 40 10 KKCBRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104167 571647622 /nfs/dbraw/zinc/64/76/22/571647622.db2.gz GAZOHPXUQDAWSU-FQLXRVMXSA-N -1 0 597.741 6.358 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225135163 571650654 /nfs/dbraw/zinc/65/06/54/571650654.db2.gz JLGZHYCYZNPKJA-VMPREFPWSA-N -1 0 602.160 6.921 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1OC ZINC000225188580 571656069 /nfs/dbraw/zinc/65/60/69/571656069.db2.gz OLMOWVZPIHZFPW-WDYNHAJCSA-N -1 0 569.687 5.722 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1OC ZINC000225188663 571656076 /nfs/dbraw/zinc/65/60/76/571656076.db2.gz OLMOWVZPIHZFPW-FQLXRVMXSA-N -1 0 569.687 5.722 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225270621 571664980 /nfs/dbraw/zinc/66/49/80/571664980.db2.gz LEBABCCYOVQAJT-FQLXRVMXSA-N -1 0 569.687 5.258 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1NS(C)(=O)=O ZINC000225431126 571798831 /nfs/dbraw/zinc/79/88/31/571798831.db2.gz QUESWOZNSBNRJS-WUFINQPMSA-N -1 0 605.742 5.053 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225456149 571827667 /nfs/dbraw/zinc/82/76/67/571827667.db2.gz GJLVCCXTTGOCLQ-KAYWLYCHSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225529878 571896774 /nfs/dbraw/zinc/89/67/74/571896774.db2.gz FPQBJYGFVPEWQE-VSGBNLITSA-N -1 0 539.661 5.189 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225550779 571913664 /nfs/dbraw/zinc/91/36/64/571913664.db2.gz JUWSGKZGWRMXQU-XZWHSSHBSA-N -1 0 567.715 5.751 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225550725 571913720 /nfs/dbraw/zinc/91/37/20/571913720.db2.gz JUWSGKZGWRMXQU-KYJUHHDHSA-N -1 0 567.715 5.751 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225572176 571933644 /nfs/dbraw/zinc/93/36/44/571933644.db2.gz FOMJPACKHYFIEJ-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225667851 572009789 /nfs/dbraw/zinc/00/97/89/572009789.db2.gz GPXVERNOYKQHEI-VMPREFPWSA-N -1 0 569.687 5.197 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225667878 572009877 /nfs/dbraw/zinc/00/98/77/572009877.db2.gz GPXVERNOYKQHEI-WDYNHAJCSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225687037 572023638 /nfs/dbraw/zinc/02/36/38/572023638.db2.gz NVMMBQPRHQDJJC-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225706348 572036681 /nfs/dbraw/zinc/03/66/81/572036681.db2.gz WPIRMXBRTWCFOD-ZWXJPIIXSA-N -1 0 589.721 6.342 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225706281 572036705 /nfs/dbraw/zinc/03/67/05/572036705.db2.gz CIWDWRDMRMIBFE-ACHIHNKUSA-N -1 0 589.721 6.342 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNNc1cc(Cl)ccc1Cl ZINC000408526424 572157551 /nfs/dbraw/zinc/15/75/51/572157551.db2.gz BXZYDAZCJFVCGW-CPNJWEJPSA-N -1 0 604.332 6.307 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000408527771 572161432 /nfs/dbraw/zinc/16/14/32/572161432.db2.gz ABMRROFKUJEPCH-GRSHGNNSSA-N -1 0 634.664 5.759 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408528025 572162477 /nfs/dbraw/zinc/16/24/77/572162477.db2.gz APMMZGWPTXTRIU-ODLFYWEKSA-N -1 0 618.665 6.059 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000408528443 572164514 /nfs/dbraw/zinc/16/45/14/572164514.db2.gz BGWWFRWSENZYBX-FGKKRVJFSA-N -1 0 655.255 5.713 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000408529199 572167312 /nfs/dbraw/zinc/16/73/12/572167312.db2.gz HFBABDDLXYJSEV-VFCFBJKWSA-N -1 0 689.632 5.974 40 10 KKCBRM Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408529683 572169379 /nfs/dbraw/zinc/16/93/79/572169379.db2.gz CXAXXXUHKUPCGG-GRSHGNNSSA-N -1 0 652.217 6.424 40 10 KKCBRM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408530548 572172415 /nfs/dbraw/zinc/17/24/15/572172415.db2.gz JELIMUXLPZGBAW-HAHDFKILSA-N -1 0 524.890 7.289 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1Br ZINC000408530833 572173322 /nfs/dbraw/zinc/17/33/22/572173322.db2.gz JQLPKCXIXMQASU-HZHRSRAPSA-N -1 0 577.479 5.035 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)C2=O)cc1 ZINC000408531007 572173903 /nfs/dbraw/zinc/17/39/03/572173903.db2.gz GFUUKBLDDQGNBO-NDENLUEZSA-N -1 0 598.247 5.714 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408531539 572175987 /nfs/dbraw/zinc/17/59/87/572175987.db2.gz GZSAYUUFWPBKKE-VIBAAIGISA-N -1 0 655.255 5.713 40 10 KKCBRM CCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408532263 572179205 /nfs/dbraw/zinc/17/92/05/572179205.db2.gz OABBYWBRIVLUCT-ULJHMMPZSA-N -1 0 504.970 5.764 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408541488 572208869 /nfs/dbraw/zinc/20/88/69/572208869.db2.gz ZRWWXPJQQCZQMV-ATVHPVEESA-N -1 0 566.315 6.002 40 10 KKCBRM CCn1c2cc(Br)c(N=Cc3c(C)[n-]n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3=O)cc2n(CC)c1=O ZINC000408534254 572185803 /nfs/dbraw/zinc/18/58/03/572185803.db2.gz PYPWXERLLVUVIG-BWAHOGKJSA-N -1 0 602.577 6.792 40 10 KKCBRM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000408534407 572186014 /nfs/dbraw/zinc/18/60/14/572186014.db2.gz QVMDLRXCHFZNOL-QXPFVDMISA-N -1 0 590.768 8.249 40 10 KKCBRM O=C(N/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000408534354 572186174 /nfs/dbraw/zinc/18/61/74/572186174.db2.gz QMKQBVROJLECCG-TWKHWXDSSA-N -1 0 697.674 7.673 40 10 KKCBRM Cc1ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000408534835 572187055 /nfs/dbraw/zinc/18/70/55/572187055.db2.gz RLDUZIGNNVEEHQ-PCLIKHOPSA-N -1 0 512.610 5.060 40 10 KKCBRM COc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3C)C2=O)ccc1-n1nc(C)c(Br)c1C ZINC000408535262 572188362 /nfs/dbraw/zinc/18/83/62/572188362.db2.gz YFTWVPNDAKFTTK-GZTJUZNOSA-N -1 0 617.298 5.218 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000408535865 572189614 /nfs/dbraw/zinc/18/96/14/572189614.db2.gz UFKAOJJINRNEIP-DHDCSXOGSA-N -1 0 537.270 6.610 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408536545 572191538 /nfs/dbraw/zinc/19/15/38/572191538.db2.gz RWOLFMOYQQXAFL-VUPMOJOHSA-N -1 0 565.807 5.696 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)cc3)C2=O)cc1 ZINC000408536613 572191680 /nfs/dbraw/zinc/19/16/80/572191680.db2.gz AEBJHKRMHVMBAD-TWKHWXDSSA-N -1 0 592.648 6.308 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000408536824 572192199 /nfs/dbraw/zinc/19/21/99/572192199.db2.gz SOYPVQCWLBIOSO-IUXPMGMMSA-N -1 0 740.098 5.431 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408536799 572192326 /nfs/dbraw/zinc/19/23/26/572192326.db2.gz BERVZJXZVXBLFP-JVWAILMASA-N -1 0 687.543 6.689 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537027 572193344 /nfs/dbraw/zinc/19/33/44/572193344.db2.gz BWUGOHXOFUYMPF-YZSQISJMSA-N -1 0 692.360 7.045 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408537137 572193463 /nfs/dbraw/zinc/19/34/63/572193463.db2.gz UQWHFFCCFILTFT-NSFNGMEESA-N -1 0 688.228 5.247 40 10 KKCBRM COc1cc(Br)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408537280 572193610 /nfs/dbraw/zinc/19/36/10/572193610.db2.gz ZULYKBBLYBDZMN-XSFVSMFZSA-N -1 0 629.349 6.267 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000408537277 572193627 /nfs/dbraw/zinc/19/36/27/572193627.db2.gz UXNYTJDYBMGTPR-DWVIGKKNSA-N -1 0 626.257 5.505 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537218 572193709 /nfs/dbraw/zinc/19/37/09/572193709.db2.gz DDMAFYZZMOHIEL-CVKSISIWSA-N -1 0 631.056 6.711 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537444 572194420 /nfs/dbraw/zinc/19/44/20/572194420.db2.gz FEXVIMPXTJSCNI-WPWMEQJKSA-N -1 0 657.517 6.681 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408537560 572195101 /nfs/dbraw/zinc/19/51/01/572195101.db2.gz WGEZJMZZCRAEPT-ODLFYWEKSA-N -1 0 645.216 5.014 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408537868 572196114 /nfs/dbraw/zinc/19/61/14/572196114.db2.gz XVRKVMCBSHMTPY-IWWILETLSA-N -1 0 720.124 6.168 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408537831 572196202 /nfs/dbraw/zinc/19/62/02/572196202.db2.gz XNMKAZPMBDARBM-MHWRWJLKSA-N -1 0 529.307 5.027 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408537850 572196270 /nfs/dbraw/zinc/19/62/70/572196270.db2.gz XRDJSTVDXFHPKR-DEDYPNTBSA-N -1 0 569.795 5.387 40 10 KKCBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408537973 572196372 /nfs/dbraw/zinc/19/63/72/572196372.db2.gz ISZFOVJCDLJNJI-AQTBWJFISA-N -1 0 505.398 6.018 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408537979 572196542 /nfs/dbraw/zinc/19/65/42/572196542.db2.gz YBGVBOIULDFRGE-GRSHGNNSSA-N -1 0 645.216 5.014 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538149 572196948 /nfs/dbraw/zinc/19/69/48/572196948.db2.gz JVNXDKBHXWMJDQ-YUMHPJSZSA-N -1 0 672.090 6.870 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408538302 572197531 /nfs/dbraw/zinc/19/75/31/572197531.db2.gz KORQZITUDFAICC-OGLMXYFKSA-N -1 0 597.067 6.872 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408538384 572198055 /nfs/dbraw/zinc/19/80/55/572198055.db2.gz MAFLLFFFEDXFJI-DHDCSXOGSA-N -1 0 619.137 7.144 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408538347 572198124 /nfs/dbraw/zinc/19/81/24/572198124.db2.gz LJDNRBOYMWOQCP-UYRXBGFRSA-N -1 0 531.403 5.179 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408538583 572198537 /nfs/dbraw/zinc/19/85/37/572198537.db2.gz OWSKDUPNRWSEMI-OGLMXYFKSA-N -1 0 641.120 7.270 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538499 572198673 /nfs/dbraw/zinc/19/86/73/572198673.db2.gz NWOOCUONVHKPEX-ONUIUJJFSA-N -1 0 614.010 6.081 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408538569 572198822 /nfs/dbraw/zinc/19/88/22/572198822.db2.gz AAZXYXLTJMIWIC-WPWMEQJKSA-N -1 0 631.512 7.525 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538611 572199048 /nfs/dbraw/zinc/19/90/48/572199048.db2.gz ALZYDCNTHZYRIT-ONUIUJJFSA-N -1 0 627.093 6.880 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408538695 572199151 /nfs/dbraw/zinc/19/91/51/572199151.db2.gz PEVVMQFCHVHENP-LICLKQGHSA-N -1 0 598.719 6.799 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538703 572199228 /nfs/dbraw/zinc/19/92/28/572199228.db2.gz PIFYCHQDSHOWOS-DHRITJCHSA-N -1 0 754.859 8.397 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538771 572199537 /nfs/dbraw/zinc/19/95/37/572199537.db2.gz QPWZQRGZSQFITP-QFEZKATASA-N -1 0 633.484 6.835 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538883 572199861 /nfs/dbraw/zinc/19/98/61/572199861.db2.gz QXKNXHRTPZBJNE-ITYLOYPMSA-N -1 0 579.565 5.428 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)OC)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538920 572199993 /nfs/dbraw/zinc/19/99/93/572199993.db2.gz RJDJRCBTGXMWDC-YUMHPJSZSA-N -1 0 671.102 6.358 40 10 KKCBRM CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408538946 572200005 /nfs/dbraw/zinc/20/00/05/572200005.db2.gz RWVQPXJHJQCHBR-XMHGGMMESA-N -1 0 505.796 5.728 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538918 572200012 /nfs/dbraw/zinc/20/00/12/572200012.db2.gz RHADLNMMBHEVJE-YBEGLDIGSA-N -1 0 570.267 6.390 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1OCC ZINC000408538989 572200525 /nfs/dbraw/zinc/20/05/25/572200525.db2.gz DBUSSVVLGSHOIN-OGLMXYFKSA-N -1 0 701.172 7.369 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539010 572200574 /nfs/dbraw/zinc/20/05/74/572200574.db2.gz DKPCVVKGUDZPOR-IMRQLAEWSA-N -1 0 578.621 5.918 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408539115 572200988 /nfs/dbraw/zinc/20/09/88/572200988.db2.gz TUIDJAWBMOPJRY-ZHZULCJRSA-N -1 0 528.989 5.151 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000408539114 572201064 /nfs/dbraw/zinc/20/10/64/572201064.db2.gz TTZGRNJYQMPHNP-LICLKQGHSA-N -1 0 509.817 6.581 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539246 572201435 /nfs/dbraw/zinc/20/14/35/572201435.db2.gz GGACKFVRPBRDLR-USHMODERSA-N -1 0 564.663 6.075 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Cl)c3)C2=O)cc1 ZINC000408539341 572202064 /nfs/dbraw/zinc/20/20/64/572202064.db2.gz VQYGFPMSYUKKED-QFEZKATASA-N -1 0 661.494 6.613 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539553 572202615 /nfs/dbraw/zinc/20/26/15/572202615.db2.gz XHZYDHAPWOCPRQ-WGARJPEWSA-N -1 0 658.063 6.480 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539672 572202867 /nfs/dbraw/zinc/20/28/67/572202867.db2.gz XYDIZPRMJLLMAZ-YSMPRRRNSA-N -1 0 609.591 5.436 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539628 572202869 /nfs/dbraw/zinc/20/28/69/572202869.db2.gz IWXBITIDNCTNBO-JVWAILMASA-N -1 0 613.066 6.572 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539711 572203232 /nfs/dbraw/zinc/20/32/32/572203232.db2.gz YDYPAVAXYHGXTO-MSXFZWOLSA-N -1 0 737.357 6.953 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539843 572203821 /nfs/dbraw/zinc/20/38/21/572203821.db2.gz ZLCYFYWZIQPCIL-MXAYSNPKSA-N -1 0 662.482 7.125 40 10 KKCBRM CCn1c2cc(Br)c(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4C)c3=O)cc2n(CC)c1=O ZINC000408539857 572203855 /nfs/dbraw/zinc/20/38/55/572203855.db2.gz ZNTDPSXZUJITER-VBKFSLOCSA-N -1 0 561.278 5.395 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000408540267 572205026 /nfs/dbraw/zinc/20/50/26/572205026.db2.gz PKAKWANZVJWERL-ZTKZIYFRSA-N -1 0 671.146 7.361 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1 ZINC000408540590 572206118 /nfs/dbraw/zinc/20/61/18/572206118.db2.gz UFVRVDZMJLTPFL-WGOQTCKBSA-N -1 0 617.485 7.135 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540691 572206552 /nfs/dbraw/zinc/20/65/52/572206552.db2.gz VEHLDWSCGLRSKW-QQXSKIMKSA-N -1 0 613.066 6.572 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408540858 572206880 /nfs/dbraw/zinc/20/68/80/572206880.db2.gz WNUVPGCRARGUJY-MYYYXRDXSA-N -1 0 706.387 7.435 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540993 572207470 /nfs/dbraw/zinc/20/74/70/572207470.db2.gz ANVLYGQQZZNTHO-KOEQRZSOSA-N -1 0 634.552 5.494 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408541014 572207494 /nfs/dbraw/zinc/20/74/94/572207494.db2.gz XGYABVUPOUDEJG-QQXSKIMKSA-N -1 0 629.134 6.737 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408541207 572207692 /nfs/dbraw/zinc/20/76/92/572207692.db2.gz YKGIQCWBNRQEHJ-OYKKKHCWSA-N -1 0 754.859 8.397 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Cl)c3)C2=O)cc1OCC ZINC000408541121 572207833 /nfs/dbraw/zinc/20/78/33/572207833.db2.gz XVOUERCTSNFKKM-JVWAILMASA-N -1 0 705.591 8.014 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408541186 572207896 /nfs/dbraw/zinc/20/78/96/572207896.db2.gz YHAYKRWFSAHWFJ-DIBXZPPDSA-N -1 0 643.559 6.837 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544505 572216018 /nfs/dbraw/zinc/21/60/18/572216018.db2.gz UKARPXPYLISLSP-PCLIKHOPSA-N -1 0 634.552 5.494 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408544771 572216814 /nfs/dbraw/zinc/21/68/14/572216814.db2.gz XFDHWXRQGYEPGZ-OVVQPSECSA-N -1 0 599.709 5.130 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408549995 572232911 /nfs/dbraw/zinc/23/29/11/572232911.db2.gz AKRDRLOMMRYRMD-YBFXNURJSA-N -1 0 633.282 5.839 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550659 572234564 /nfs/dbraw/zinc/23/45/64/572234564.db2.gz GBOFGZHHINFNFS-REZTVBANSA-N -1 0 714.727 6.252 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408551043 572235376 /nfs/dbraw/zinc/23/53/76/572235376.db2.gz AJBDBWZGGVBPLE-YBFXNURJSA-N -1 0 574.804 5.339 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 ZINC000408551119 572235435 /nfs/dbraw/zinc/23/54/35/572235435.db2.gz BOLXFAQMFAHJSU-FYJGNVAPSA-N -1 0 554.386 5.076 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408551121 572235471 /nfs/dbraw/zinc/23/54/71/572235471.db2.gz BOOSRHLOKPRKPW-RQZCQDPDSA-N -1 0 623.674 6.093 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408551356 572236220 /nfs/dbraw/zinc/23/62/20/572236220.db2.gz CGFPYNMYNZGDJU-RQZCQDPDSA-N -1 0 668.125 6.202 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551481 572236250 /nfs/dbraw/zinc/23/62/50/572236250.db2.gz DAEBMNGSSREMQF-REZTVBANSA-N -1 0 623.276 6.301 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552513 572238527 /nfs/dbraw/zinc/23/85/27/572238527.db2.gz JDPNOJPAGOCYFA-REZTVBANSA-N -1 0 667.727 6.410 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408552882 572239572 /nfs/dbraw/zinc/23/95/72/572239572.db2.gz RYPYSENNINOBTD-APSNUPSMSA-N -1 0 702.570 6.856 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408553016 572239618 /nfs/dbraw/zinc/23/96/18/572239618.db2.gz UJPNSZBMXQCPLY-NVMNQCDNSA-N -1 0 724.291 5.077 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553025 572239926 /nfs/dbraw/zinc/23/99/26/572239926.db2.gz UNTRYLHQCFFXSR-MFOYZWKCSA-N -1 0 637.303 6.691 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1C ZINC000408553260 572240276 /nfs/dbraw/zinc/24/02/76/572240276.db2.gz NECLFHWUGDEUNK-MTJSOVHGSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408553333 572240295 /nfs/dbraw/zinc/24/02/95/572240295.db2.gz OAQDYXXCAXOZID-VCHYOVAHSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553339 572240366 /nfs/dbraw/zinc/24/03/66/572240366.db2.gz VFRYOATTWFKEMY-NVMNQCDNSA-N -1 0 623.276 6.383 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553538 572240602 /nfs/dbraw/zinc/24/06/02/572240602.db2.gz XELFIBMKACMOJT-NVMNQCDNSA-N -1 0 667.727 6.492 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408554077 572241512 /nfs/dbraw/zinc/24/15/12/572241512.db2.gz YVLLMBQNGDJYQK-FRKPEAEDSA-N -1 0 597.213 6.123 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000408554327 572241721 /nfs/dbraw/zinc/24/17/21/572241721.db2.gz RQWNCFJTFQEJRE-YVLHZVERSA-N -1 0 593.250 6.293 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554973 572242304 /nfs/dbraw/zinc/24/23/04/572242304.db2.gz UUBKLZPEWFDITP-IUXPMGMMSA-N -1 0 590.803 5.045 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555826 572243302 /nfs/dbraw/zinc/24/33/02/572243302.db2.gz YIKDYPAQKNDKAG-CAOOACKPSA-N -1 0 698.151 6.211 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408581831 572264583 /nfs/dbraw/zinc/26/45/83/572264583.db2.gz AQHSXEVXFJZICD-UHFFFAOYSA-N -1 0 520.994 5.633 40 10 KKCBRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408585065 572266057 /nfs/dbraw/zinc/26/60/57/572266057.db2.gz BQLUEGKQGNBONK-UHFFFAOYSA-N -1 0 535.021 6.023 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1OC ZINC000408604509 572273944 /nfs/dbraw/zinc/27/39/44/572273944.db2.gz UZIWGHQROYUZAV-AQTBWJFISA-N -1 0 515.349 5.717 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408630714 572286405 /nfs/dbraw/zinc/28/64/05/572286405.db2.gz AMMXIWSREBKQBU-YVNNLAQVSA-N -1 0 528.993 5.907 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C(/Sc3nnc(-c4cc(OC)cc(OC)c4)o3)C(=O)[O-])c2C)c1C ZINC000408631292 572287265 /nfs/dbraw/zinc/28/72/65/572287265.db2.gz DDVYEFYAALIXQQ-ZMOGYAJESA-N -1 0 549.605 5.474 40 10 KKCBRM CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])n[nH]1 ZINC000408632179 572288416 /nfs/dbraw/zinc/28/84/16/572288416.db2.gz OKTNSDTYLQOHPX-ZDLGFXPLSA-N -1 0 522.412 5.296 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)C(=O)[O-])o2)c1 ZINC000408632771 572289330 /nfs/dbraw/zinc/28/93/30/572289330.db2.gz KIHJKORXRROTHD-KSEXSDGBSA-N -1 0 617.465 6.292 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260565277 572322649 /nfs/dbraw/zinc/32/26/49/572322649.db2.gz HUIPZXBMQFRNGI-SVZNOHIVSA-N -1 0 510.432 5.616 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000260572295 572322754 /nfs/dbraw/zinc/32/27/54/572322754.db2.gz UNLZEMZODHPWDY-GYZOOYGHSA-N -1 0 500.426 6.160 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000102544435 1069704675 /nfs/dbraw/zinc/70/46/75/1069704675.db2.gz TUYYIUFWRZBKQP-FYJGNVAPSA-N -1 0 525.346 5.514 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000102627460 1069705558 /nfs/dbraw/zinc/70/55/58/1069705558.db2.gz KDIVCXWJBJMKMU-XHPQRKPJSA-N -1 0 503.627 6.035 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000103119458 1069708416 /nfs/dbraw/zinc/70/84/16/1069708416.db2.gz HKPDAINRBLEGBF-ULJHMMPZSA-N -1 0 524.045 6.299 40 10 KKCBRM COc1ccc(CCN2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1OC ZINC000103115646 1069708445 /nfs/dbraw/zinc/70/84/45/1069708445.db2.gz SEZDYQHDZDWIHJ-KQWNVCNZSA-N -1 0 546.023 5.465 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OCc1ccccc1 ZINC000108422912 1069716743 /nfs/dbraw/zinc/71/67/43/1069716743.db2.gz NFBTXBNIYKIEPX-GRSHGNNSSA-N -1 0 555.812 6.194 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1OC(C)C ZINC000108422685 1069716842 /nfs/dbraw/zinc/71/68/42/1069716842.db2.gz CEGKQDGZLLOYMS-CHHVJCJISA-N -1 0 556.638 6.157 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408722460 1069727103 /nfs/dbraw/zinc/72/71/03/1069727103.db2.gz JBUNPAICKNFDJL-RQZCQDPDSA-N -1 0 640.770 7.218 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408807892 1069741512 /nfs/dbraw/zinc/74/15/12/1069741512.db2.gz LKNZLTXCXKGQQQ-UDWIEESQSA-N -1 0 614.246 5.244 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408818352 1069743151 /nfs/dbraw/zinc/74/31/51/1069743151.db2.gz XQWQSSLABOAMCJ-YZSQISJMSA-N -1 0 534.612 6.409 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)C1=O ZINC000408816846 1069743373 /nfs/dbraw/zinc/74/33/73/1069743373.db2.gz VIHOJAGKGDFOHE-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)c(OC)cc1Cl ZINC000408825947 1069744236 /nfs/dbraw/zinc/74/42/36/1069744236.db2.gz KELPWYJKZBLFAA-CIAFOILYSA-N -1 0 520.969 5.219 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408833392 1069744712 /nfs/dbraw/zinc/74/47/12/1069744712.db2.gz JSZCEILFTSOBOE-QEVYWNJUSA-N -1 0 774.715 9.725 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OC ZINC000408834034 1069744806 /nfs/dbraw/zinc/74/48/06/1069744806.db2.gz SRSIHQZWLSTVPV-YBFXNURJSA-N -1 0 527.360 5.256 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C1=O ZINC000408884262 1069750280 /nfs/dbraw/zinc/75/02/80/1069750280.db2.gz XNHWUMPDRKWYSI-MOSHPQCFSA-N -1 0 539.813 5.910 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)cc1 ZINC000408985945 1069767860 /nfs/dbraw/zinc/76/78/60/1069767860.db2.gz YVTCTXZWXFSGMX-ODLFYWEKSA-N -1 0 621.258 6.406 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1Cl ZINC000409092601 1069777115 /nfs/dbraw/zinc/77/71/15/1069777115.db2.gz VPZBFJMONXIBFG-GIDUJCDVSA-N -1 0 591.747 6.230 40 10 KKCBRM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409177281 1069796207 /nfs/dbraw/zinc/79/62/07/1069796207.db2.gz GQXZLOJSLUBJAM-KEBDBYFISA-N -1 0 531.373 5.935 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408769456 1069876095 /nfs/dbraw/zinc/87/60/95/1069876095.db2.gz VJDXXZRYQDJRJQ-VXLYETTFSA-N -1 0 698.682 6.103 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408768364 1069873285 /nfs/dbraw/zinc/87/32/85/1069873285.db2.gz FLJKNORONJZNHN-UDWIEESQSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408769696 1069876817 /nfs/dbraw/zinc/87/68/17/1069876817.db2.gz ZNTHXCIXXSHKRH-VXLYETTFSA-N -1 0 681.200 6.393 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408772818 1069885422 /nfs/dbraw/zinc/88/54/22/1069885422.db2.gz RQPVBNAFELEVAK-VCHYOVAHSA-N -1 0 533.209 5.830 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408772350 1069883811 /nfs/dbraw/zinc/88/38/11/1069883811.db2.gz LDTBNAFNJBSBIX-PCLIKHOPSA-N -1 0 526.976 6.137 40 10 KKCBRM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408773400 1069886692 /nfs/dbraw/zinc/88/66/92/1069886692.db2.gz KLUARIJJCJHSJX-WUXMJOGZSA-N -1 0 594.711 5.037 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1 ZINC000408772526 1069884980 /nfs/dbraw/zinc/88/49/80/1069884980.db2.gz MLULYGZQYBARDH-UDWIEESQSA-N -1 0 664.237 5.450 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1 ZINC000408773591 1069887350 /nfs/dbraw/zinc/88/73/50/1069887350.db2.gz ROFPJQUULVMXSP-VXLYETTFSA-N -1 0 743.133 6.212 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1C ZINC000408774654 1069890177 /nfs/dbraw/zinc/89/01/77/1069890177.db2.gz PZGJKGACALDXSN-PCLIKHOPSA-N -1 0 510.977 6.355 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408778622 1069898154 /nfs/dbraw/zinc/89/81/54/1069898154.db2.gz IWOHFGQFHZXUHY-RGVLZGJSSA-N -1 0 559.791 5.327 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408778800 1069898599 /nfs/dbraw/zinc/89/85/99/1069898599.db2.gz LCRMCEGJPSUSKK-HZHRSRAPSA-N -1 0 552.508 6.572 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408781034 1069905275 /nfs/dbraw/zinc/90/52/75/1069905275.db2.gz QGYAKCWUSFCELK-LPYMAVHISA-N -1 0 596.421 5.552 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408782773 1069908170 /nfs/dbraw/zinc/90/81/70/1069908170.db2.gz YZRSBKYPCKPKSP-LPYMAVHISA-N -1 0 582.394 5.162 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(I)c3)C2=O)c1 ZINC000408783600 1069909866 /nfs/dbraw/zinc/90/98/66/1069909866.db2.gz NKXZLLIVBOEMQD-FYJGNVAPSA-N -1 0 552.368 5.153 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408781465 1069916301 /nfs/dbraw/zinc/91/63/01/1069916301.db2.gz ANRSSIDNQXCTMF-WSDLNYQXSA-N -1 0 596.421 5.470 40 10 KKCBRM COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c1C)CCCC2 ZINC000408781478 1069916364 /nfs/dbraw/zinc/91/63/64/1069916364.db2.gz SUZBVVWAUVVWJY-HYARGMPZSA-N -1 0 531.634 5.104 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408781601 1069916395 /nfs/dbraw/zinc/91/63/95/1069916395.db2.gz CEWJNEKTKQMAID-CIAFOILYSA-N -1 0 535.940 5.201 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(I)c3)C2=O)cc1 ZINC000408786127 1069920562 /nfs/dbraw/zinc/92/05/62/1069920562.db2.gz MRFISNHLXRAHPF-VXLYETTFSA-N -1 0 635.227 5.747 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408788239 1069924951 /nfs/dbraw/zinc/92/49/51/1069924951.db2.gz CUHAWLRPQOJGQS-OEAKJJBVSA-N -1 0 552.508 6.572 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408795630 1069927937 /nfs/dbraw/zinc/92/79/37/1069927937.db2.gz COOIUIPUQDTYCS-DJKKODMXSA-N -1 0 559.775 5.496 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408797092 1069931612 /nfs/dbraw/zinc/93/16/12/1069931612.db2.gz FYANNSRBTADIFA-PCLIKHOPSA-N -1 0 508.530 5.190 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)c1 ZINC000408798960 1069933711 /nfs/dbraw/zinc/93/37/11/1069933711.db2.gz JLRPXLHKPJWZAI-PCLIKHOPSA-N -1 0 555.428 6.465 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1C ZINC000408799700 1069934630 /nfs/dbraw/zinc/93/46/30/1069934630.db2.gz HPNOAMLFZODDTH-KEBDBYFISA-N -1 0 529.807 6.509 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Br)c3)C2=O)c1C ZINC000408799329 1069934672 /nfs/dbraw/zinc/93/46/72/1069934672.db2.gz KLSLTTLYJIOKBE-BUVRLJJBSA-N -1 0 569.455 6.773 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408799719 1069934687 /nfs/dbraw/zinc/93/46/87/1069934687.db2.gz HVBJNEYKGRHURU-YBFXNURJSA-N -1 0 634.829 6.036 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408800724 1069936707 /nfs/dbraw/zinc/93/67/07/1069936707.db2.gz OXFLXYWMXNIZMG-VXLYETTFSA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408800895 1069937973 /nfs/dbraw/zinc/93/79/73/1069937973.db2.gz QCCGKOLOWWBPKC-HYARGMPZSA-N -1 0 535.394 5.402 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408800102 1069935581 /nfs/dbraw/zinc/93/55/81/1069935581.db2.gz KLTYHZRHYRFDAW-PXLXIMEGSA-N -1 0 526.976 6.056 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408800221 1069936042 /nfs/dbraw/zinc/93/60/42/1069936042.db2.gz NWQJESYRBIMWMM-CIAFOILYSA-N -1 0 585.838 5.755 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408800167 1069936072 /nfs/dbraw/zinc/93/60/72/1069936072.db2.gz NIWNHUZDZWVHJN-CIAFOILYSA-N -1 0 630.866 6.206 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408800222 1069936162 /nfs/dbraw/zinc/93/61/62/1069936162.db2.gz NWZUCQKNIBMLDQ-YZSQISJMSA-N -1 0 599.437 6.024 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408800353 1069936238 /nfs/dbraw/zinc/93/62/38/1069936238.db2.gz OJKMHDCSFRDRIE-DJKKODMXSA-N -1 0 604.284 6.627 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408807070 1069943272 /nfs/dbraw/zinc/94/32/72/1069943272.db2.gz OBSBASCJNLVTRF-DJKKODMXSA-N -1 0 594.676 6.963 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408807042 1069943297 /nfs/dbraw/zinc/94/32/97/1069943297.db2.gz JXEQHELOFURIQN-CXUHLZMHSA-N -1 0 521.795 5.265 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408807241 1069943408 /nfs/dbraw/zinc/94/34/08/1069943408.db2.gz KTLRFMRALHGHEE-MFKUBSTISA-N -1 0 541.003 6.446 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408802428 1069945136 /nfs/dbraw/zinc/94/51/36/1069945136.db2.gz ZZZDJHKYAUIPMZ-VXLYETTFSA-N -1 0 512.305 5.147 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Br)c3)C2=O)c(C)c1 ZINC000408804032 1069948995 /nfs/dbraw/zinc/94/89/95/1069948995.db2.gz CGMIFUQKPUSNDJ-LPYMAVHISA-N -1 0 533.422 5.928 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC(C)C ZINC000408802654 1069946002 /nfs/dbraw/zinc/94/60/02/1069946002.db2.gz ZXJRGCXRJDUZAQ-OQLLNIDSSA-N -1 0 521.795 5.263 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4c(C)ccc5ccccc54)ccc4ccccc43)C2=O)c1 ZINC000408803582 1069947324 /nfs/dbraw/zinc/94/73/24/1069947324.db2.gz QUONCCBSMWFUNT-VUTHCHCSSA-N -1 0 540.619 7.164 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408804971 1069951584 /nfs/dbraw/zinc/95/15/84/1069951584.db2.gz HXHBHKUAGPMGHP-RGVLZGJSSA-N -1 0 546.204 6.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408805128 1069952338 /nfs/dbraw/zinc/95/23/38/1069952338.db2.gz IOIVTHGIEAUYKR-CIAFOILYSA-N -1 0 630.866 6.206 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408805237 1069952768 /nfs/dbraw/zinc/95/27/68/1069952768.db2.gz FFEWNMYYFOCIPG-CIAFOILYSA-N -1 0 580.391 5.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408805427 1069953291 /nfs/dbraw/zinc/95/32/91/1069953291.db2.gz JZKAYXZHJXKFFK-ZXVVBBHZSA-N -1 0 504.542 5.511 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OC ZINC000408806099 1069955061 /nfs/dbraw/zinc/95/50/61/1069955061.db2.gz ARBUCAMTTGRXFW-FYJGNVAPSA-N -1 0 551.393 5.102 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408808109 1069957985 /nfs/dbraw/zinc/95/79/85/1069957985.db2.gz DZZCAIVIXMPNGC-PXLXIMEGSA-N -1 0 517.368 6.392 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408808785 1069960617 /nfs/dbraw/zinc/96/06/17/1069960617.db2.gz GAVYUGINKSFLLZ-WSDLNYQXSA-N -1 0 675.317 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000408807907 1069958318 /nfs/dbraw/zinc/95/83/18/1069958318.db2.gz LMVYWSCKEGMCCL-OVVQPSECSA-N -1 0 538.987 6.164 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408812944 1069956546 /nfs/dbraw/zinc/95/65/46/1069956546.db2.gz PXYHROFZHIHOPZ-BUVRLJJBSA-N -1 0 575.404 6.179 40 10 KKCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl ZINC000408809760 1069962377 /nfs/dbraw/zinc/96/23/77/1069962377.db2.gz IXZNPTPQHIXVFL-UHFFFAOYSA-N -1 0 625.917 7.970 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408811772 1069966200 /nfs/dbraw/zinc/96/62/00/1069966200.db2.gz RQQQFSNTMKQJFJ-UDWIEESQSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408810895 1069964394 /nfs/dbraw/zinc/96/43/94/1069964394.db2.gz QFPSQDFJHLWYKL-LPYMAVHISA-N -1 0 612.420 5.252 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408811386 1069965213 /nfs/dbraw/zinc/96/52/13/1069965213.db2.gz NNQZCSNDQXTQGR-LPYMAVHISA-N -1 0 563.448 6.018 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)c1 ZINC000408809080 1069961432 /nfs/dbraw/zinc/96/14/32/1069961432.db2.gz HISCGFSAPCMQBM-UDWIEESQSA-N -1 0 523.358 5.450 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)c1C ZINC000408812048 1069967640 /nfs/dbraw/zinc/96/76/40/1069967640.db2.gz LASIECGLAMZOFJ-RGVLZGJSSA-N -1 0 574.258 6.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408812509 1069968344 /nfs/dbraw/zinc/96/83/44/1069968344.db2.gz WSPBUKFCVMHDIO-VXLYETTFSA-N -1 0 665.311 6.859 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000408812587 1069968492 /nfs/dbraw/zinc/96/84/92/1069968492.db2.gz WXZDPSOIJPZXQT-UDWIEESQSA-N -1 0 590.655 6.110 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408812759 1069969434 /nfs/dbraw/zinc/96/94/34/1069969434.db2.gz TVSXKDLMQRBAHG-FYJGNVAPSA-N -1 0 539.371 5.416 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C1=O ZINC000408815469 1069970071 /nfs/dbraw/zinc/97/00/71/1069970071.db2.gz RJPFPLRUDCZUNP-RGVLZGJSSA-N -1 0 543.776 5.795 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408816094 1069971651 /nfs/dbraw/zinc/97/16/51/1069971651.db2.gz RADLVBKKPMUGHZ-BUVRLJJBSA-N -1 0 543.373 5.553 40 10 KKCBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408816421 1069972522 /nfs/dbraw/zinc/97/25/22/1069972522.db2.gz YPKOOWDOHQIMRS-HYARGMPZSA-N -1 0 519.395 5.620 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 ZINC000408816699 1069973156 /nfs/dbraw/zinc/97/31/56/1069973156.db2.gz SBMOGVMAWQNBEX-FYJGNVAPSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408817557 1069974634 /nfs/dbraw/zinc/97/46/34/1069974634.db2.gz UEKILOIBQTWDFV-CIAFOILYSA-N -1 0 511.361 5.638 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408817729 1069975628 /nfs/dbraw/zinc/97/56/28/1069975628.db2.gz WEQVJZZGQIGBBA-RGVLZGJSSA-N -1 0 627.391 5.070 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)C1=O ZINC000408818442 1069977145 /nfs/dbraw/zinc/97/71/45/1069977145.db2.gz VKUUQKWFSKBUGP-DEDYPNTBSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408814303 1069980643 /nfs/dbraw/zinc/98/06/43/1069980643.db2.gz ZAIQUHAMAJKADI-CIAFOILYSA-N -1 0 627.391 5.152 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408822986 1069985025 /nfs/dbraw/zinc/98/50/25/1069985025.db2.gz BZHRCNDQWMHJQQ-BLPXWJRUSA-N -1 0 720.782 7.726 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408823132 1069985772 /nfs/dbraw/zinc/98/57/72/1069985772.db2.gz CUUWOMYJVQLUIK-JFLMPSFJSA-N -1 0 753.387 7.195 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1Br ZINC000408823037 1069986068 /nfs/dbraw/zinc/98/60/68/1069986068.db2.gz CDYITTWNPJTXBY-DEDYPNTBSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408819578 1069992425 /nfs/dbraw/zinc/99/24/25/1069992425.db2.gz ZKWPECHPZJLVPS-WSDLNYQXSA-N -1 0 701.344 7.704 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408824068 1069990569 /nfs/dbraw/zinc/99/05/69/1069990569.db2.gz GUIQVGQBTDPPFM-WPWMEQJKSA-N -1 0 628.435 6.182 40 10 KKCBRM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408824580 1069991591 /nfs/dbraw/zinc/99/15/91/1069991591.db2.gz IFQQPCHYKHLEMT-CIAFOILYSA-N -1 0 632.838 5.597 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408819556 1069992108 /nfs/dbraw/zinc/99/21/08/1069992108.db2.gz XSLVDGDEUHIZQB-WGOQTCKBSA-N -1 0 569.013 6.173 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408819593 1069992173 /nfs/dbraw/zinc/99/21/73/1069992173.db2.gz ZNEUIFBQGPQOFT-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408819877 1069993337 /nfs/dbraw/zinc/99/33/37/1069993337.db2.gz YPZKYYNLQAMAOB-YBFXNURJSA-N -1 0 543.378 6.085 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408821556 1069997701 /nfs/dbraw/zinc/99/77/01/1069997701.db2.gz IWHFLAPBFSYAKE-DHRITJCHSA-N -1 0 642.322 8.125 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408821317 1069996773 /nfs/dbraw/zinc/99/67/73/1069996773.db2.gz GCLYOLVHJNMUTR-VULFUBBASA-N -1 0 757.408 8.130 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408824377 1069998372 /nfs/dbraw/zinc/99/83/72/1069998372.db2.gz IDYZHCQHAPSLAR-JVWAILMASA-N -1 0 661.936 7.326 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408821845 1069999041 /nfs/dbraw/zinc/99/90/41/1069999041.db2.gz KUIAQQVNJWNPRK-GREAQNRRSA-N -1 0 813.705 8.879 40 10 KKCBRM CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408827100 1070005516 /nfs/dbraw/zinc/00/55/16/1070005516.db2.gz KGIPAZGGTLQJJO-WSDLNYQXSA-N -1 0 559.833 6.679 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4cc(Br)ccc4OCc4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000408827254 1070006144 /nfs/dbraw/zinc/00/61/44/1070006144.db2.gz KOLLEAVEGRDXSJ-OGLMXYFKSA-N -1 0 676.361 7.344 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 ZINC000408827277 1070006349 /nfs/dbraw/zinc/00/63/49/1070006349.db2.gz KQBWTEHAJWYEFJ-WQRHYEAKSA-N -1 0 579.756 6.367 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc(Cl)cc5Cl)c(Br)c4)C3=O)cc2)cc1 ZINC000408827464 1070006891 /nfs/dbraw/zinc/00/68/91/1070006891.db2.gz DAQCAMKSWPTYIS-VULFUBBASA-N -1 0 666.355 7.889 40 10 KKCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OC ZINC000408827879 1070008133 /nfs/dbraw/zinc/00/81/33/1070008133.db2.gz MXCNTFDWQZKIPC-CIAFOILYSA-N -1 0 585.838 5.755 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408827862 1070008546 /nfs/dbraw/zinc/00/85/46/1070008546.db2.gz VEBDFMWLKDPITJ-SWIRUNBASA-N -1 0 813.705 8.879 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408825203 1070012654 /nfs/dbraw/zinc/01/26/54/1070012654.db2.gz HVWKAMYNJVHHJZ-RQZCQDPDSA-N -1 0 557.386 5.265 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408824518 1070009687 /nfs/dbraw/zinc/00/96/87/1070009687.db2.gz QSGHLMSONYPTMG-OGLMXYFKSA-N -1 0 583.984 6.073 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000408824415 1070009720 /nfs/dbraw/zinc/00/97/20/1070009720.db2.gz HNERTGUWRXOMRE-XOARQMTESA-N -1 0 675.785 7.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408824438 1070009915 /nfs/dbraw/zinc/00/99/15/1070009915.db2.gz QFHPPJUBMYRJPC-PPOKSSTKSA-N -1 0 639.107 8.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408824779 1070010535 /nfs/dbraw/zinc/01/05/35/1070010535.db2.gz HRDKPGDDZFPWCF-URFBEJBISA-N -1 0 759.100 9.226 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408829920 1070016443 /nfs/dbraw/zinc/01/64/43/1070016443.db2.gz NJOBAJJREIDFOY-NHDPSOOVSA-N -1 0 615.391 7.419 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408829909 1070016700 /nfs/dbraw/zinc/01/67/00/1070016700.db2.gz NJBGOUYZUXACOA-AFUMVMLFSA-N -1 0 637.903 7.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408830384 1070018016 /nfs/dbraw/zinc/01/80/16/1070018016.db2.gz PKGGOIDKDFXMFU-OCSSWDANSA-N -1 0 702.388 8.734 40 10 KKCBRM CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408836383 1070026759 /nfs/dbraw/zinc/02/67/59/1070026759.db2.gz QSGHBLWDYSERHO-JNLVJSROSA-N -1 0 613.714 6.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408832155 1070023335 /nfs/dbraw/zinc/02/33/35/1070023335.db2.gz QDGCODLZIDAMPP-BLPXWJRUSA-N -1 0 738.284 9.170 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408828387 1070025380 /nfs/dbraw/zinc/02/53/80/1070025380.db2.gz DUUMVZNCRYLRLO-MFOYZWKCSA-N -1 0 569.750 6.911 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408832144 1070022415 /nfs/dbraw/zinc/02/24/15/1070022415.db2.gz RISGAKCUMJCAOJ-ODLFYWEKSA-N -1 0 518.850 5.743 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1Cl ZINC000408836702 1070027814 /nfs/dbraw/zinc/02/78/14/1070027814.db2.gz UMDVUBXWNHEDPH-FYJGNVAPSA-N -1 0 525.388 6.026 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408836659 1070027836 /nfs/dbraw/zinc/02/78/36/1070027836.db2.gz UBZXOLHLEZOHSB-UZWMFBFFSA-N -1 0 598.655 6.981 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408833999 1070032182 /nfs/dbraw/zinc/03/21/82/1070032182.db2.gz UDYTVGIYLPDMPX-WPWMEQJKSA-N -1 0 601.428 6.413 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000408834026 1070032274 /nfs/dbraw/zinc/03/22/74/1070032274.db2.gz UFNUBQLYUAHDEC-OGLMXYFKSA-N -1 0 569.013 6.173 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408833623 1070031494 /nfs/dbraw/zinc/03/14/94/1070031494.db2.gz UDHZXZBPLDMZRD-VULFUBBASA-N -1 0 731.224 8.343 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408834180 1070032919 /nfs/dbraw/zinc/03/29/19/1070032919.db2.gz UNYKAUVZQLMUBQ-MUFRIFMGSA-N -1 0 645.539 7.833 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408834351 1070033556 /nfs/dbraw/zinc/03/35/56/1070033556.db2.gz WBFYYBWZWFCETN-SRZZPIQSSA-N -1 0 651.897 6.527 40 10 KKCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408834701 1070034742 /nfs/dbraw/zinc/03/47/42/1070034742.db2.gz WWSANBWEAWMGCH-HYARGMPZSA-N -1 0 525.388 6.028 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408835017 1070035902 /nfs/dbraw/zinc/03/59/02/1070035902.db2.gz WQAJIHVHOUNBEO-JFLMPSFJSA-N -1 0 651.930 7.870 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1C ZINC000408836147 1070039722 /nfs/dbraw/zinc/03/97/22/1070039722.db2.gz ZDHIBHKSZLPHAD-HRZMFDCHSA-N -1 0 723.873 9.580 40 10 KKCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408835474 1070037637 /nfs/dbraw/zinc/03/76/37/1070037637.db2.gz XOVRBLFEQTUXMA-KGENOOAVSA-N -1 0 511.361 5.638 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000408842731 1070046205 /nfs/dbraw/zinc/04/62/05/1070046205.db2.gz CHSQWHXXNFLALL-LDADJPATSA-N -1 0 527.429 5.721 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408847979 1070056881 /nfs/dbraw/zinc/05/68/81/1070056881.db2.gz OROPTCJGPUKIEB-LICLKQGHSA-N -1 0 640.770 7.218 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408847718 1070056305 /nfs/dbraw/zinc/05/63/05/1070056305.db2.gz REJZMWWXFACKFB-OVCLIPMQSA-N -1 0 814.064 7.375 40 10 KKCBRM COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000408853084 1070060500 /nfs/dbraw/zinc/06/05/00/1070060500.db2.gz LHZYWOHAMXDHGF-SFQUDFHCSA-N -1 0 528.417 5.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 ZINC000408850682 1070064758 /nfs/dbraw/zinc/06/47/58/1070064758.db2.gz QSFXKAQZYPTXNK-FRKPEAEDSA-N -1 0 665.209 5.167 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408851442 1070066204 /nfs/dbraw/zinc/06/62/04/1070066204.db2.gz ZLELXXFJBATAEV-NSKAYECMSA-N -1 0 670.420 9.013 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000408857917 1070068679 /nfs/dbraw/zinc/06/86/79/1070068679.db2.gz QCEJRMBZBAQHSI-FYJGNVAPSA-N -1 0 508.441 5.305 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000408858960 1070069554 /nfs/dbraw/zinc/06/95/54/1070069554.db2.gz UXPCRYLRVCFTTP-LICLKQGHSA-N -1 0 533.787 5.522 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408854235 1070071742 /nfs/dbraw/zinc/07/17/42/1070071742.db2.gz AMFIYOHZYNPXPK-CXUHLZMHSA-N -1 0 626.743 6.828 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1O ZINC000408855251 1070074126 /nfs/dbraw/zinc/07/41/26/1070074126.db2.gz DURUXMBGZJWYDY-VMPITWQZSA-N -1 0 581.069 5.064 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000408854994 1070074191 /nfs/dbraw/zinc/07/41/91/1070074191.db2.gz CGNHCFOSMSHRND-LFIBNONCSA-N -1 0 547.847 6.066 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408855919 1070075152 /nfs/dbraw/zinc/07/51/52/1070075152.db2.gz OTIYQKGAYFYLIV-DEDYPNTBSA-N -1 0 659.332 7.162 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1C ZINC000408860168 1070076514 /nfs/dbraw/zinc/07/65/14/1070076514.db2.gz YOGVMLYQULKZDJ-KEBDBYFISA-N -1 0 757.160 6.521 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408859126 1070080406 /nfs/dbraw/zinc/08/04/06/1070080406.db2.gz WSBBERKNIWLCJT-LDADJPATSA-N -1 0 540.859 6.481 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Br)c1 ZINC000408865841 1070084326 /nfs/dbraw/zinc/08/43/26/1070084326.db2.gz CGNYJOXBDOOIJW-VXLYETTFSA-N -1 0 530.205 6.013 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408865084 1070082294 /nfs/dbraw/zinc/08/22/94/1070082294.db2.gz ANSHHZVQVMAMEP-BKUYFWCQSA-N -1 0 539.415 6.200 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Cc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408865701 1070083270 /nfs/dbraw/zinc/08/32/70/1070083270.db2.gz DNHCVQCBCQDDIY-OEAKJJBVSA-N -1 0 614.411 5.485 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408865787 1070084048 /nfs/dbraw/zinc/08/40/48/1070084048.db2.gz FQJHCTJTRHCUES-YBFXNURJSA-N -1 0 679.736 6.671 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Cc2cccc(F)c2)C1=O ZINC000408866472 1070085677 /nfs/dbraw/zinc/08/56/77/1070085677.db2.gz GMCHZWSSQYILCR-JCMHNJIXSA-N -1 0 507.359 5.408 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408866595 1070086336 /nfs/dbraw/zinc/08/63/36/1070086336.db2.gz IDNGRMYVSPPCEU-YDZHTSKRSA-N -1 0 551.412 5.861 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000408867866 1070088220 /nfs/dbraw/zinc/08/82/20/1070088220.db2.gz MHKHWCMOAFLAGQ-BUVRLJJBSA-N -1 0 503.396 5.632 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408868319 1070089269 /nfs/dbraw/zinc/08/92/69/1070089269.db2.gz PPJYIIBMVFNJOA-NDENLUEZSA-N -1 0 537.981 5.057 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1ccccc1Br ZINC000408868264 1070089337 /nfs/dbraw/zinc/08/93/37/1070089337.db2.gz PCLWFCAQOIMFQV-HYARGMPZSA-N -1 0 519.395 5.413 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Br)cc3)C2=O)cc1Cl ZINC000408868977 1070090817 /nfs/dbraw/zinc/09/08/17/1070090817.db2.gz QBVAPPSPLJHGMS-DEDYPNTBSA-N -1 0 509.787 5.668 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408870290 1070093094 /nfs/dbraw/zinc/09/30/94/1070093094.db2.gz VSYKHUHAPCGFFU-LPYMAVHISA-N -1 0 581.394 5.031 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408871224 1070095101 /nfs/dbraw/zinc/09/51/01/1070095101.db2.gz YWOCZQKQFJZWQK-CIAFOILYSA-N -1 0 598.291 6.176 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408871585 1070096057 /nfs/dbraw/zinc/09/60/57/1070096057.db2.gz ZUMKYAHMHLVLSH-GIJQJNRQSA-N -1 0 639.248 6.393 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408872306 1070097192 /nfs/dbraw/zinc/09/71/92/1070097192.db2.gz CTIVPLKXRSRXCS-LPYMAVHISA-N -1 0 598.412 5.703 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408873626 1070099368 /nfs/dbraw/zinc/09/93/68/1070099368.db2.gz UALNBLMJWALWNC-VXLYETTFSA-N -1 0 547.797 6.442 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408873756 1070099954 /nfs/dbraw/zinc/09/99/54/1070099954.db2.gz VKLBIFNOCROCCA-WSDLNYQXSA-N -1 0 535.394 5.037 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408873866 1070100035 /nfs/dbraw/zinc/10/00/35/1070100035.db2.gz WLAKXSJNCUNGNU-DJKKODMXSA-N -1 0 665.709 6.281 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408874326 1070101600 /nfs/dbraw/zinc/10/16/00/1070101600.db2.gz ACTPWLMMNHSWJU-CIAFOILYSA-N -1 0 553.398 5.436 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Cc2cc(C)cc(C)c2)c1 ZINC000408874461 1070101671 /nfs/dbraw/zinc/10/16/71/1070101671.db2.gz BYAMXIGPVRCLAA-BUVRLJJBSA-N -1 0 519.395 5.332 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408879166 1070102325 /nfs/dbraw/zinc/10/23/25/1070102325.db2.gz CSDFMSULVMLEAI-LZYBPNLTSA-N -1 0 657.675 6.505 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3F)c(Br)c2)C1=O ZINC000408874817 1070102412 /nfs/dbraw/zinc/10/24/12/1070102412.db2.gz DGJVDSIBAKMMLV-MOSHPQCFSA-N -1 0 507.359 5.408 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1ccccc1Br ZINC000408880154 1070105732 /nfs/dbraw/zinc/10/57/32/1070105732.db2.gz GCVUWEKYKPRCNG-FYJGNVAPSA-N -1 0 519.395 5.332 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(Cc2ccccc2Br)c1 ZINC000408880495 1070107436 /nfs/dbraw/zinc/10/74/36/1070107436.db2.gz JJMBGXDIEYAMTB-FYJGNVAPSA-N -1 0 525.786 5.368 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408877875 1070112754 /nfs/dbraw/zinc/11/27/54/1070112754.db2.gz VDKOVYZFCQSQRD-LPYMAVHISA-N -1 0 583.866 6.157 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408878735 1070115211 /nfs/dbraw/zinc/11/52/11/1070115211.db2.gz APQQUPVBIPLZIB-XDHOZWIPSA-N -1 0 511.361 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408883917 1070117735 /nfs/dbraw/zinc/11/77/35/1070117735.db2.gz RVALIWLWCRMDGV-ZVHZXABRSA-N -1 0 638.458 5.351 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408884295 1070118468 /nfs/dbraw/zinc/11/84/68/1070118468.db2.gz UDKBMEZWKIONDM-DJKKODMXSA-N -1 0 618.709 6.439 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408882764 1070126865 /nfs/dbraw/zinc/12/68/65/1070126865.db2.gz SDKBSKVLXCJDBO-LICLKQGHSA-N -1 0 559.775 5.496 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000408888860 1070130148 /nfs/dbraw/zinc/13/01/48/1070130148.db2.gz BXVIWLKGMUKXCV-NDENLUEZSA-N -1 0 553.384 5.405 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408882865 1070127555 /nfs/dbraw/zinc/12/75/55/1070127555.db2.gz PFEOVJATTMBHMK-FYJGNVAPSA-N -1 0 523.358 5.244 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408882980 1070127702 /nfs/dbraw/zinc/12/77/02/1070127702.db2.gz SCJCFCCVYZEDRE-CVKSISIWSA-N -1 0 571.004 6.324 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408882974 1070127760 /nfs/dbraw/zinc/12/77/60/1070127760.db2.gz OVKVIBZLYOKXJX-NDENLUEZSA-N -1 0 614.411 5.691 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408889754 1070132444 /nfs/dbraw/zinc/13/24/44/1070132444.db2.gz GVKPQTMBBXTGJK-UDWIEESQSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408891512 1070135448 /nfs/dbraw/zinc/13/54/48/1070135448.db2.gz RSUXYQHSDVQHIQ-VXLYETTFSA-N -1 0 648.735 6.818 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)ccc1Br ZINC000408895301 1070145964 /nfs/dbraw/zinc/14/59/64/1070145964.db2.gz DUVNCWCUTXKCDB-UCQKPKSFSA-N -1 0 575.846 6.810 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893633 1070140475 /nfs/dbraw/zinc/14/04/75/1070140475.db2.gz HHJCEHSEGUQRAN-VXLYETTFSA-N -1 0 619.877 5.162 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OC)c2)C1=O ZINC000408895515 1070146868 /nfs/dbraw/zinc/14/68/68/1070146868.db2.gz NDFFHZWDZSRBKC-XKZIYDEJSA-N -1 0 518.997 5.773 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408895759 1070147580 /nfs/dbraw/zinc/14/75/80/1070147580.db2.gz FOCTZJFVFMSOQD-NHDPSOOVSA-N -1 0 675.317 6.233 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408895748 1070147648 /nfs/dbraw/zinc/14/76/48/1070147648.db2.gz FMHWHQMCWDGROX-HMAPJEAMSA-N -1 0 597.437 6.021 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1F ZINC000408895879 1070148452 /nfs/dbraw/zinc/14/84/52/1070148452.db2.gz FZSOADLEZKDKOX-UNOMPAQXSA-N -1 0 539.357 5.151 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408896017 1070148470 /nfs/dbraw/zinc/14/84/70/1070148470.db2.gz GJCZJOQTJZXPMF-NDENLUEZSA-N -1 0 678.355 5.661 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408896770 1070151881 /nfs/dbraw/zinc/15/18/81/1070151881.db2.gz HWZUVHJRMUMBQW-JCMHNJIXSA-N -1 0 520.969 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408893261 1070155202 /nfs/dbraw/zinc/15/52/02/1070155202.db2.gz LQWOFAPLYVOVKU-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408899317 1070156790 /nfs/dbraw/zinc/15/67/90/1070156790.db2.gz OJGNWVMKPSHFCN-XKZIYDEJSA-N -1 0 630.410 5.473 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408899358 1070156806 /nfs/dbraw/zinc/15/68/06/1070156806.db2.gz OSQXFDUHLJCHGB-HMAPJEAMSA-N -1 0 658.343 6.645 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408899920 1070160972 /nfs/dbraw/zinc/16/09/72/1070160972.db2.gz WLBBTPKWPGKNGP-JAIQZWGSSA-N -1 0 648.735 6.818 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408899815 1070159949 /nfs/dbraw/zinc/15/99/49/1070159949.db2.gz VYBMIZRXLJVPOA-GRSHGNNSSA-N -1 0 692.260 5.524 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408900380 1070162561 /nfs/dbraw/zinc/16/25/61/1070162561.db2.gz SGXNCDDFKJCCCL-UDWIEESQSA-N -1 0 645.837 5.027 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Br)C1=O ZINC000408900414 1070162595 /nfs/dbraw/zinc/16/25/95/1070162595.db2.gz SKSCWHBXKZKUKB-UNOMPAQXSA-N -1 0 649.133 6.528 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408900458 1070163341 /nfs/dbraw/zinc/16/33/41/1070163341.db2.gz SSMVZMJYHHYOMS-ODLFYWEKSA-N -1 0 679.280 6.145 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408900508 1070163457 /nfs/dbraw/zinc/16/34/57/1070163457.db2.gz TZBNUGBRUFMWLA-ONUIUJJFSA-N -1 0 577.475 6.490 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)ccc1Br ZINC000408900760 1070165005 /nfs/dbraw/zinc/16/50/05/1070165005.db2.gz UQFOGXSFKMLPLG-WQRHYEAKSA-N -1 0 649.133 6.528 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C1=O ZINC000408901020 1070166067 /nfs/dbraw/zinc/16/60/67/1070166067.db2.gz ZIIKMVKUQZQUPF-HZHRSRAPSA-N -1 0 514.940 6.186 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408901111 1070166128 /nfs/dbraw/zinc/16/61/28/1070166128.db2.gz VRZDFUIBBPMTDM-XKZIYDEJSA-N -1 0 549.421 5.628 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408901082 1070166138 /nfs/dbraw/zinc/16/61/38/1070166138.db2.gz ZYCVPUNEJNCCMI-QNGOZBTKSA-N -1 0 500.913 5.878 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408897131 1070170822 /nfs/dbraw/zinc/17/08/22/1070170822.db2.gz VZIYKQPYLWZFRR-UXHLAJHPSA-N -1 0 562.622 6.136 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408897357 1070171769 /nfs/dbraw/zinc/17/17/69/1070171769.db2.gz JAAKRXJDADBQAD-HAHDFKILSA-N -1 0 643.512 5.379 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408901448 1070167734 /nfs/dbraw/zinc/16/77/34/1070167734.db2.gz YGDMRGBBLMDZRU-IWIPYMOSSA-N -1 0 611.464 6.411 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408901644 1070168427 /nfs/dbraw/zinc/16/84/27/1070168427.db2.gz ZJWJNFFSDVIBSG-ULJHMMPZSA-N -1 0 532.568 5.649 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408901514 1070168617 /nfs/dbraw/zinc/16/86/17/1070168617.db2.gz YJFBWXHMZDATQH-KQWNVCNZSA-N -1 0 579.447 5.882 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 ZINC000408897826 1070172459 /nfs/dbraw/zinc/17/24/59/1070172459.db2.gz ZSCSDGXTBNYQDS-FYJGNVAPSA-N -1 0 566.969 5.300 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1Cl ZINC000408898927 1070176002 /nfs/dbraw/zinc/17/60/02/1070176002.db2.gz YKJKDVFCDMVGAD-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408898943 1070176770 /nfs/dbraw/zinc/17/67/70/1070176770.db2.gz NIKQCYWGRIDZAZ-IWIPYMOSSA-N -1 0 585.454 6.473 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000408899080 1070176879 /nfs/dbraw/zinc/17/68/79/1070176879.db2.gz SOSNQPXRDXAOGT-ODLFYWEKSA-N -1 0 560.231 6.310 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408897993 1070173200 /nfs/dbraw/zinc/17/32/00/1070173200.db2.gz KESUVXPZKQTNGE-UQQQWYQISA-N -1 0 518.997 6.073 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2I)c1 ZINC000408913010 1070198666 /nfs/dbraw/zinc/19/86/66/1070198666.db2.gz JOBJNIQIWNROQK-DJKKODMXSA-N -1 0 682.227 5.589 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408917143 1070206495 /nfs/dbraw/zinc/20/64/95/1070206495.db2.gz NRSXKVGVXAYSDD-ZDLGFXPLSA-N -1 0 531.392 5.551 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408916443 1070220100 /nfs/dbraw/zinc/22/01/00/1070220100.db2.gz CHTFUEQQXNHWBH-JAIQZWGSSA-N -1 0 545.419 5.942 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408933511 1070266344 /nfs/dbraw/zinc/26/63/44/1070266344.db2.gz AMUCEVDNKAXGDQ-STZFKDTASA-N -1 0 568.910 6.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408934171 1070268463 /nfs/dbraw/zinc/26/84/63/1070268463.db2.gz CSCFQXCYRZTFSM-WPWMEQJKSA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408934105 1070268344 /nfs/dbraw/zinc/26/83/44/1070268344.db2.gz CLMLVEUOQBTIAU-YZSQISJMSA-N -1 0 556.977 6.304 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408939391 1070282721 /nfs/dbraw/zinc/28/27/21/1070282721.db2.gz MIZUUTADAGMNHQ-UDWIEESQSA-N -1 0 566.364 5.001 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408939244 1070282752 /nfs/dbraw/zinc/28/27/52/1070282752.db2.gz MBAOMGYDHBDYHX-WSDLNYQXSA-N -1 0 594.418 5.618 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000408939398 1070282776 /nfs/dbraw/zinc/28/27/76/1070282776.db2.gz SCVOHDZSEWHZAF-JAIQZWGSSA-N -1 0 607.810 6.984 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2Br)c1 ZINC000408941530 1070289392 /nfs/dbraw/zinc/28/93/92/1070289392.db2.gz WWEONESJCMDUAG-GRSHGNNSSA-N -1 0 607.810 6.984 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000408937171 1070290467 /nfs/dbraw/zinc/29/04/67/1070290467.db2.gz MSPAOFLFMYCEAI-WQRHYEAKSA-N -1 0 562.903 6.142 40 10 KKCBRM CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408949633 1070306143 /nfs/dbraw/zinc/30/61/43/1070306143.db2.gz IOESPGHGNPAWHZ-BRJLIKDPSA-N -1 0 651.554 5.924 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408942318 1070302638 /nfs/dbraw/zinc/30/26/38/1070302638.db2.gz QJLIDBJYVLUVHO-UDWIEESQSA-N -1 0 556.756 5.256 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408946663 1070309717 /nfs/dbraw/zinc/30/97/17/1070309717.db2.gz AUVDJBVWUNRDLH-YCHGMGKZSA-N -1 0 607.545 6.769 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000408947584 1070312118 /nfs/dbraw/zinc/31/21/18/1070312118.db2.gz COOMQQRVEUZPIW-XODNFHPESA-N -1 0 798.459 7.917 40 10 KKCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408948296 1070313177 /nfs/dbraw/zinc/31/31/77/1070313177.db2.gz FIYVNOJFRDEKQW-LQKURTRISA-N -1 0 520.629 6.373 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408946438 1070309147 /nfs/dbraw/zinc/30/91/47/1070309147.db2.gz ADPVKEPJUYDOOT-KVSWJAHQSA-N -1 0 680.028 8.759 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000408953300 1070315546 /nfs/dbraw/zinc/31/55/46/1070315546.db2.gz POWSWLPQNGHQII-RPPGKUMJSA-N -1 0 663.971 7.955 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408953277 1070315632 /nfs/dbraw/zinc/31/56/32/1070315632.db2.gz PMVDQEGYGMPCJG-UVHMKAGCSA-N -1 0 723.007 7.666 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Cl)c1 ZINC000408955150 1070319116 /nfs/dbraw/zinc/31/91/16/1070319116.db2.gz SVKSEUSXVQRYLS-XODNFHPESA-N -1 0 615.557 8.015 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000408956101 1070323122 /nfs/dbraw/zinc/32/31/22/1070323122.db2.gz WBSZADYMWFJPPQ-WGOQTCKBSA-N -1 0 513.638 5.794 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408951085 1070319908 /nfs/dbraw/zinc/31/99/08/1070319908.db2.gz KXUBFEHVQQLBCX-VXLYETTFSA-N -1 0 534.355 5.392 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)c(C)c1 ZINC000408951604 1070320381 /nfs/dbraw/zinc/32/03/81/1070320381.db2.gz MAGWDGMGIUQSFA-OKCVXOCRSA-N -1 0 591.708 6.323 40 10 KKCBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1C ZINC000408960227 1070322716 /nfs/dbraw/zinc/32/27/16/1070322716.db2.gz JWRLZMABXVSHHL-LPYMAVHISA-N -1 0 506.400 5.394 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408981425 1070338825 /nfs/dbraw/zinc/33/88/25/1070338825.db2.gz BBYARZRDTZBLQY-JMIUGGIZSA-N -1 0 525.388 5.864 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408983998 1070338355 /nfs/dbraw/zinc/33/83/55/1070338355.db2.gz PEMJKHJKFKNLGO-XKZIYDEJSA-N -1 0 522.960 5.686 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000408982625 1070340949 /nfs/dbraw/zinc/34/09/49/1070340949.db2.gz INEVHJWGUOBWND-MTJSOVHGSA-N -1 0 509.389 6.110 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1Cl ZINC000408982508 1070341154 /nfs/dbraw/zinc/34/11/54/1070341154.db2.gz HLUCNPLXAGUVRT-IUXPMGMMSA-N -1 0 578.221 6.449 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408982979 1070341726 /nfs/dbraw/zinc/34/17/26/1070341726.db2.gz JIPDOXKBJASUIW-QQXSKIMKSA-N -1 0 599.481 6.809 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408982803 1070341758 /nfs/dbraw/zinc/34/17/58/1070341758.db2.gz FIYUWEGPENDYMH-WGOQTCKBSA-N -1 0 509.993 6.389 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(I)c3)C2=O)cc1 ZINC000408983371 1070342775 /nfs/dbraw/zinc/34/27/75/1070342775.db2.gz LQRVZNGGSTUXLH-MTJSOVHGSA-N -1 0 645.291 6.170 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408981303 1070339177 /nfs/dbraw/zinc/33/91/77/1070339177.db2.gz ADZFQRYCVFYHEQ-CFRMEGHHSA-N -1 0 619.899 7.208 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1Cl ZINC000408985337 1070346003 /nfs/dbraw/zinc/34/60/03/1070346003.db2.gz WNEXFBCNQKUKGB-FMQZQXMHSA-N -1 0 695.691 5.990 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C2=O)cc1 ZINC000408986142 1070347629 /nfs/dbraw/zinc/34/76/29/1070347629.db2.gz LSSOMMOEEAZGPC-NDENLUEZSA-N -1 0 678.264 5.704 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc([N+](=O)[O-])ccc4[O-])C3=O)o2)cc1 ZINC000408987385 1070349908 /nfs/dbraw/zinc/34/99/08/1070349908.db2.gz XEZBIQAYENGPNU-RCCKNPSSSA-N -1 0 508.486 5.818 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408984910 1070353926 /nfs/dbraw/zinc/35/39/26/1070353926.db2.gz UGHVLQBURCJQGW-FMCGGJTJSA-N -1 0 605.872 6.818 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=CC3=C(C)[C@H](c4ccc(OCc5ccccc5)cc4)C(C)=C3)C2=O)cc1 ZINC000408984597 1070352665 /nfs/dbraw/zinc/35/26/65/1070352665.db2.gz SEBGRYHNKWCQHF-AMQAWDDFSA-N -1 0 518.613 6.397 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991910 1070359134 /nfs/dbraw/zinc/35/91/34/1070359134.db2.gz PESCFTNSOMGFDV-AFUMVMLFSA-N -1 0 596.690 5.927 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408995134 1070363186 /nfs/dbraw/zinc/36/31/86/1070363186.db2.gz JJHBYPBGDDTWHI-HZHRSRAPSA-N -1 0 568.436 5.264 40 10 KKCBRM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)o3)sc2c1 ZINC000408988409 1070360581 /nfs/dbraw/zinc/36/05/81/1070360581.db2.gz DJAISAWOUVWSKA-RCCKNPSSSA-N -1 0 592.614 5.508 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408988513 1070360629 /nfs/dbraw/zinc/36/06/29/1070360629.db2.gz DQVUOUHOLKHZPA-AFUMVMLFSA-N -1 0 580.622 5.762 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408993849 1070369529 /nfs/dbraw/zinc/36/95/29/1070369529.db2.gz XFVWSIMAUAFCQX-ZRXGRHLGSA-N -1 0 697.820 6.483 40 10 KKCBRM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992807 1070367297 /nfs/dbraw/zinc/36/72/97/1070367297.db2.gz SWBKIQIVSHMHIL-YZYHJUNBSA-N -1 0 653.698 5.702 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccc(C)c(C)c5)C4=O)o3)sc2c1 ZINC000408993898 1070369749 /nfs/dbraw/zinc/36/97/49/1070369749.db2.gz XWLUJUPFBUDNBC-XDHOZWIPSA-N -1 0 519.604 5.722 40 10 KKCBRM CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409010450 1070388105 /nfs/dbraw/zinc/38/81/05/1070388105.db2.gz DZYXBEWQIVMHSB-CIAFOILYSA-N -1 0 542.444 5.663 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Br)c1 ZINC000409044011 1070450871 /nfs/dbraw/zinc/45/08/71/1070450871.db2.gz AKGKPUFLVQXFAS-LDADJPATSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409045657 1070454559 /nfs/dbraw/zinc/45/45/59/1070454559.db2.gz GUBZXAZLSIPTFX-CNHKJKLMSA-N -1 0 670.097 6.672 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409045281 1070453723 /nfs/dbraw/zinc/45/37/23/1070453723.db2.gz FZQOKFUZWBDPQL-LPYMAVHISA-N -1 0 592.446 5.149 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1Cl ZINC000409052808 1070456040 /nfs/dbraw/zinc/45/60/40/1070456040.db2.gz APOZPPXPKOSTNI-DJKKODMXSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409047335 1070458878 /nfs/dbraw/zinc/45/88/78/1070458878.db2.gz OHKFZMYARYNLDS-MHWRWJLKSA-N -1 0 608.645 6.250 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000409047264 1070458885 /nfs/dbraw/zinc/45/88/85/1070458885.db2.gz NXNZKBDBLXVPLZ-SRZZPIQSSA-N -1 0 540.359 5.764 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2F)C1=O ZINC000409050639 1070465130 /nfs/dbraw/zinc/46/51/30/1070465130.db2.gz YAQNSKYEJBFTOY-GIJQJNRQSA-N -1 0 533.770 6.340 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409049000 1070462278 /nfs/dbraw/zinc/46/22/78/1070462278.db2.gz PQLKQGQAEMWGCK-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409049827 1070463722 /nfs/dbraw/zinc/46/37/22/1070463722.db2.gz XWACFDOQTGNFNP-CIAFOILYSA-N -1 0 612.864 5.494 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)C1=O ZINC000409059648 1070472291 /nfs/dbraw/zinc/47/22/91/1070472291.db2.gz WBQDLJDJCUYUKY-DJKKODMXSA-N -1 0 639.127 7.072 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067679 1070484747 /nfs/dbraw/zinc/48/47/47/1070484747.db2.gz QQQNMVUDNRHBCQ-RQZCQDPDSA-N -1 0 630.289 6.133 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[N-]C1=S ZINC000409070061 1070495690 /nfs/dbraw/zinc/49/56/90/1070495690.db2.gz MVCLHLZHQLOBDB-XNTDXEJSSA-N -1 0 502.335 5.301 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081498 1070504836 /nfs/dbraw/zinc/50/48/36/1070504836.db2.gz PRLGWWLJRVYTNR-OQLLNIDSSA-N -1 0 631.779 5.776 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409085719 1070512378 /nfs/dbraw/zinc/51/23/78/1070512378.db2.gz ZSYFWLQCXGBARZ-MOSHPQCFSA-N -1 0 541.438 5.471 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078259 1070513547 /nfs/dbraw/zinc/51/35/47/1070513547.db2.gz HPTVYJAVJJCTHC-OVCLIPMQSA-N -1 0 573.301 5.277 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088206 1070521634 /nfs/dbraw/zinc/52/16/34/1070521634.db2.gz WBNRDHZQZRHUFX-RQZCQDPDSA-N -1 0 566.275 6.379 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088127 1070521783 /nfs/dbraw/zinc/52/17/83/1070521783.db2.gz DJZOQBDTDFGYGY-CXUHLZMHSA-N -1 0 543.275 5.269 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409099387 1070532677 /nfs/dbraw/zinc/53/26/77/1070532677.db2.gz RBPQZYCXTTVVGK-VCHYOVAHSA-N -1 0 530.433 5.249 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409099642 1070532895 /nfs/dbraw/zinc/53/28/95/1070532895.db2.gz RPHXRWVIRLPQOG-XDHOZWIPSA-N -1 0 535.343 5.571 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409132568 1070551346 /nfs/dbraw/zinc/55/13/46/1070551346.db2.gz QMMYLQLJNCMQOM-CIAFOILYSA-N -1 0 569.441 6.032 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409135895 1070560756 /nfs/dbraw/zinc/56/07/56/1070560756.db2.gz SUVQWVLTBULNBV-YDZHTSKRSA-N -1 0 668.497 5.794 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138513 1070562314 /nfs/dbraw/zinc/56/23/14/1070562314.db2.gz CZRJNEHTGRKWGH-YDZHTSKRSA-N -1 0 597.039 5.916 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)ccc1Cl ZINC000409158083 1070574507 /nfs/dbraw/zinc/57/45/07/1070574507.db2.gz XHGOJXLQFREGQT-VXLYETTFSA-N -1 0 561.797 5.736 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C(=O)[N-]C1=S ZINC000409173263 1070588931 /nfs/dbraw/zinc/58/89/31/1070588931.db2.gz OIZNVDZALGWPLK-NLRVBDNBSA-N -1 0 537.641 5.513 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1OCC ZINC000409189222 1070606278 /nfs/dbraw/zinc/60/62/78/1070606278.db2.gz NAFNVQHQEITYQC-PCLIKHOPSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192153 1070609950 /nfs/dbraw/zinc/60/99/50/1070609950.db2.gz AXZDGTWTDKKHBP-ZVHZXABRSA-N -1 0 684.527 6.037 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000409206154 1070632503 /nfs/dbraw/zinc/63/25/03/1070632503.db2.gz HWTAUVVJRQEHOP-VXLYETTFSA-N -1 0 526.014 5.187 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409224723 1070642935 /nfs/dbraw/zinc/64/29/35/1070642935.db2.gz LJIGHAVDDZZCIJ-VXLYETTFSA-N -1 0 663.706 5.558 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409229261 1070646348 /nfs/dbraw/zinc/64/63/48/1070646348.db2.gz MGNVJXYLQXLJHB-ZXMBATIKSA-N -1 0 517.445 5.083 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409229483 1070646869 /nfs/dbraw/zinc/64/68/69/1070646869.db2.gz PSZLLKJJBWXMMY-OEAKJJBVSA-N -1 0 571.977 5.818 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409237850 1070654156 /nfs/dbraw/zinc/65/41/56/1070654156.db2.gz XMXZNLXJGAXHHX-MHWRWJLKSA-N -1 0 504.826 5.886 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409233920 1070659866 /nfs/dbraw/zinc/65/98/66/1070659866.db2.gz IOABTIYYCREEQN-GZTJUZNOSA-N -1 0 501.789 5.502 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409254446 1070672782 /nfs/dbraw/zinc/67/27/82/1070672782.db2.gz INOGXFHAXVWJKY-ODLFYWEKSA-N -1 0 584.879 5.260 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000409256872 1070676884 /nfs/dbraw/zinc/67/68/84/1070676884.db2.gz MOVAQVGUHZSWII-WSDLNYQXSA-N -1 0 596.865 5.712 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OC ZINC000409258748 1070680481 /nfs/dbraw/zinc/68/04/81/1070680481.db2.gz VFJRRCJJAAOFJA-QRVIBDJDSA-N -1 0 713.525 5.398 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c1 ZINC000409257536 1070677730 /nfs/dbraw/zinc/67/77/30/1070677730.db2.gz SOHMEUHWMVJOAI-YSMPRRRNSA-N -1 0 644.511 6.873 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000409258262 1070679041 /nfs/dbraw/zinc/67/90/41/1070679041.db2.gz SIJZMFYAPQEZFU-VXLYETTFSA-N -1 0 617.283 6.057 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409265401 1070689077 /nfs/dbraw/zinc/68/90/77/1070689077.db2.gz IBUBFUZKAYSIHR-ODLFYWEKSA-N -1 0 582.440 5.611 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000409251475 1070681880 /nfs/dbraw/zinc/68/18/80/1070681880.db2.gz QKXBFYWVVICDNR-RGVLZGJSSA-N -1 0 706.185 6.275 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409252466 1070683756 /nfs/dbraw/zinc/68/37/56/1070683756.db2.gz BWSYYBYHOVJKFA-JAIQZWGSSA-N -1 0 659.864 5.254 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC ZINC000409252688 1070684459 /nfs/dbraw/zinc/68/44/59/1070684459.db2.gz DJWMDCGFHCIBRY-HAHDFKILSA-N -1 0 592.048 5.438 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1C ZINC000409252756 1070684690 /nfs/dbraw/zinc/68/46/90/1070684690.db2.gz DMTQRCKGTXOEHE-NHDPSOOVSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409268945 1070694367 /nfs/dbraw/zinc/69/43/67/1070694367.db2.gz BRLHKGDCTYFROT-USHMODERSA-N -1 0 561.594 5.258 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409259928 1070694902 /nfs/dbraw/zinc/69/49/02/1070694902.db2.gz HWZOLSHJLWKFOI-MTJSOVHGSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409260114 1070695502 /nfs/dbraw/zinc/69/55/02/1070695502.db2.gz LAAAXMAFBRFAQP-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409261121 1070696934 /nfs/dbraw/zinc/69/69/34/1070696934.db2.gz ABHMPNYAFUJCLT-LFVJCYFKSA-N -1 0 592.048 5.520 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409261466 1070697808 /nfs/dbraw/zinc/69/78/08/1070697808.db2.gz DCRUMBFWPDWOGV-NDENLUEZSA-N -1 0 596.467 6.001 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409269170 1070703186 /nfs/dbraw/zinc/70/31/86/1070703186.db2.gz GJJOFHVQXYIKLG-WOJGMQOQSA-N -1 0 663.706 5.558 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409270274 1070705689 /nfs/dbraw/zinc/70/56/89/1070705689.db2.gz OOKVYADMFVGHAX-KEBDBYFISA-N -1 0 673.891 5.562 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OC ZINC000409271314 1070707795 /nfs/dbraw/zinc/70/77/95/1070707795.db2.gz UQNAGSLEXDDOOL-XKZIYDEJSA-N -1 0 622.074 5.447 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1C ZINC000409272507 1070710529 /nfs/dbraw/zinc/71/05/29/1070710529.db2.gz QSYLRLIZBWNBFN-VEILYXNESA-N -1 0 654.517 6.329 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409273442 1070712664 /nfs/dbraw/zinc/71/26/64/1070712664.db2.gz YALQVGVCWXALNQ-YBEGLDIGSA-N -1 0 680.282 5.599 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409273913 1070714123 /nfs/dbraw/zinc/71/41/23/1070714123.db2.gz ABJLISHXIZMFNO-LPYMAVHISA-N -1 0 503.580 5.084 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408881154 1070784085 /nfs/dbraw/zinc/78/40/85/1070784085.db2.gz JWJFUPPIIDHDTL-ODLFYWEKSA-N -1 0 588.854 5.375 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408881205 1070784630 /nfs/dbraw/zinc/78/46/30/1070784630.db2.gz MFOUWSMLYBATJL-VXLYETTFSA-N -1 0 587.829 6.194 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408880291 1070789339 /nfs/dbraw/zinc/78/93/39/1070789339.db2.gz HCBSIBVGAJBFFC-YDZHTSKRSA-N -1 0 607.457 5.497 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408879697 1070792569 /nfs/dbraw/zinc/79/25/69/1070792569.db2.gz DWCNAIBRZHLSKX-UFFVCSGVSA-N -1 0 535.940 5.119 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408879706 1070792624 /nfs/dbraw/zinc/79/26/24/1070792624.db2.gz DXJGLUHYSHPMLK-WQRHYEAKSA-N -1 0 529.351 5.777 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408880081 1070790143 /nfs/dbraw/zinc/79/01/43/1070790143.db2.gz IWSDOSYIAFEPLP-FYJGNVAPSA-N -1 0 613.486 5.207 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408881159 1070784696 /nfs/dbraw/zinc/78/46/96/1070784696.db2.gz JXUZRSSHMNCFEN-WQRHYEAKSA-N -1 0 541.348 5.383 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408880964 1070785253 /nfs/dbraw/zinc/78/52/53/1070785253.db2.gz LKVLUMSUMFKNCW-XDHOZWIPSA-N -1 0 527.758 5.054 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Br ZINC000408881025 1070785291 /nfs/dbraw/zinc/78/52/91/1070785291.db2.gz LTQBFFXIRBAVIB-NLRVBDNBSA-N -1 0 583.438 6.274 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)c1C ZINC000408881058 1070785822 /nfs/dbraw/zinc/78/58/22/1070785822.db2.gz LZIZYAZNZKHCAT-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408880578 1070787676 /nfs/dbraw/zinc/78/76/76/1070787676.db2.gz IJBYCOPQEFBXOF-UDWIEESQSA-N -1 0 658.299 5.642 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408879564 1070793407 /nfs/dbraw/zinc/79/34/07/1070793407.db2.gz FHAHWIUDCLHMQL-FYJGNVAPSA-N -1 0 583.424 5.814 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000408879580 1070793870 /nfs/dbraw/zinc/79/38/70/1070793870.db2.gz GXVUIGOUKVKTBB-UNOMPAQXSA-N -1 0 553.384 5.405 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Cc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408879028 1070796145 /nfs/dbraw/zinc/79/61/45/1070796145.db2.gz AFFOCVNBVURMIG-OEAKJJBVSA-N -1 0 567.411 5.643 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408878635 1070798817 /nfs/dbraw/zinc/79/88/17/1070798817.db2.gz AEUOUIDMBKAUQH-ZMOGYAJESA-N -1 0 502.998 5.839 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408878302 1070799344 /nfs/dbraw/zinc/79/93/44/1070799344.db2.gz ZYIFGCNCCWOIBO-VXLYETTFSA-N -1 0 541.785 5.074 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408878400 1070799888 /nfs/dbraw/zinc/79/98/88/1070799888.db2.gz AKHCBZMYAANRJU-RGVLZGJSSA-N -1 0 631.264 5.628 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408878387 1070800098 /nfs/dbraw/zinc/80/00/98/1070800098.db2.gz BAGRRFFTWVPJBA-WOJGMQOQSA-N -1 0 590.655 6.110 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408877716 1070804382 /nfs/dbraw/zinc/80/43/82/1070804382.db2.gz XXOXZPIXFFQUNJ-UCQKPKSFSA-N -1 0 596.490 5.729 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408877847 1070805285 /nfs/dbraw/zinc/80/52/85/1070805285.db2.gz YUWKCPAOGGJKKD-CIAFOILYSA-N -1 0 649.254 5.849 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2Br)C1=O ZINC000408877694 1070806722 /nfs/dbraw/zinc/80/67/22/1070806722.db2.gz XVABSYORHNARHV-XSFVSMFZSA-N -1 0 509.787 5.668 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408888829 1070810304 /nfs/dbraw/zinc/81/03/04/1070810304.db2.gz BJWSNXLWYJVEIB-UDWIEESQSA-N -1 0 614.411 5.691 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408888869 1070811577 /nfs/dbraw/zinc/81/15/77/1070811577.db2.gz CBZBVWUDHHYGMG-VXLYETTFSA-N -1 0 575.426 5.053 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408888883 1070811785 /nfs/dbraw/zinc/81/17/85/1070811785.db2.gz CIOWXHRHTLXBCW-WSDLNYQXSA-N -1 0 610.448 5.779 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408888586 1070812817 /nfs/dbraw/zinc/81/28/17/1070812817.db2.gz XNJDPAHGTGFDKU-YBFXNURJSA-N -1 0 661.290 5.925 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408888518 1070813088 /nfs/dbraw/zinc/81/30/88/1070813088.db2.gz WMALIKYUZUYRCL-DEDYPNTBSA-N -1 0 511.361 5.638 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)cc1Cl ZINC000408888657 1070813799 /nfs/dbraw/zinc/81/37/99/1070813799.db2.gz YLZXMLMMUWDNGE-UDWIEESQSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1 ZINC000408887804 1070817940 /nfs/dbraw/zinc/81/79/40/1070817940.db2.gz RAFQBHBKZRGIEL-YBFXNURJSA-N -1 0 589.851 5.153 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408887931 1070817997 /nfs/dbraw/zinc/81/79/97/1070817997.db2.gz UWTWWXYZJYAECM-PCLIKHOPSA-N -1 0 525.004 6.664 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408888201 1070816637 /nfs/dbraw/zinc/81/66/37/1070816637.db2.gz TVYFJLLDPSRZAF-UFFVCSGVSA-N -1 0 569.839 5.973 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408888224 1070816695 /nfs/dbraw/zinc/81/66/95/1070816695.db2.gz UBHNQWHVPRPIAL-YDZHTSKRSA-N -1 0 579.447 5.719 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408897188 1070824176 /nfs/dbraw/zinc/82/41/76/1070824176.db2.gz ICMFIYAOGBROIU-ITYLOYPMSA-N -1 0 528.605 5.818 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408896780 1070828751 /nfs/dbraw/zinc/82/87/51/1070828751.db2.gz LCIAXLBTJGRYDV-MTJSOVHGSA-N -1 0 539.357 5.151 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408896069 1070838187 /nfs/dbraw/zinc/83/81/87/1070838187.db2.gz GNYJNXDCWWCQQR-HMAPJEAMSA-N -1 0 613.892 6.535 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408896689 1070832023 /nfs/dbraw/zinc/83/20/23/1070832023.db2.gz HJUMCFOTFCNVPA-JLPGSUDCSA-N -1 0 605.466 5.653 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408895872 1070838636 /nfs/dbraw/zinc/83/86/36/1070838636.db2.gz FZAIAJWXTGBDAL-HAHDFKILSA-N -1 0 565.420 5.492 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408895692 1070841213 /nfs/dbraw/zinc/84/12/13/1070841213.db2.gz NXXHWGAXJZWAHU-WOJGMQOQSA-N -1 0 590.257 6.400 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)cc3)C2=O)ccc1Br ZINC000408895259 1070846754 /nfs/dbraw/zinc/84/67/54/1070846754.db2.gz DGTKWAIMLWPVRO-BKUYFWCQSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccccc1Cl ZINC000409326377 1070844687 /nfs/dbraw/zinc/84/46/87/1070844687.db2.gz BCZDMKKEQLMNCH-UDWIEESQSA-N -1 0 517.053 5.535 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408895283 1070846349 /nfs/dbraw/zinc/84/63/49/1070846349.db2.gz DPMCIJWVJUKPIU-HAHDFKILSA-N -1 0 583.468 6.816 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1Br ZINC000408894364 1070855028 /nfs/dbraw/zinc/85/50/28/1070855028.db2.gz HRTFHMNPQQAIIW-CPNJWEJPSA-N -1 0 569.839 6.055 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408894917 1070850905 /nfs/dbraw/zinc/85/09/05/1070850905.db2.gz LBNDPQFGQASBLX-WSDLNYQXSA-N -1 0 563.448 5.937 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408894887 1070851083 /nfs/dbraw/zinc/85/10/83/1070851083.db2.gz JPECWZYFFLOVEG-YZSQISJMSA-N -1 0 613.464 6.282 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)c1 ZINC000408894724 1070852014 /nfs/dbraw/zinc/85/20/14/1070852014.db2.gz IYESBNBODLSJKJ-OGLMXYFKSA-N -1 0 567.041 6.781 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408894555 1070853751 /nfs/dbraw/zinc/85/37/51/1070853751.db2.gz JOTIGQBCGAVDMI-YBFXNURJSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000408894626 1070853945 /nfs/dbraw/zinc/85/39/45/1070853945.db2.gz JWJZMVBIDBJZIX-RDRPBHBLSA-N -1 0 611.492 6.890 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408894443 1070855862 /nfs/dbraw/zinc/85/58/62/1070855862.db2.gz CMSJJERIADVCHG-XYGWBWBKSA-N -1 0 533.024 6.381 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409337718 1070859627 /nfs/dbraw/zinc/85/96/27/1070859627.db2.gz YYCGBEDHUVRGLH-UZBYXMDDSA-N -1 0 667.725 6.010 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408894032 1070859982 /nfs/dbraw/zinc/85/99/82/1070859982.db2.gz CZZREIZMAITUCM-JAIQZWGSSA-N -1 0 706.287 5.914 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000408893725 1070862145 /nfs/dbraw/zinc/86/21/45/1070862145.db2.gz CPINDSTYJXSWQK-ODLFYWEKSA-N -1 0 615.234 5.674 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1 ZINC000408893361 1070864621 /nfs/dbraw/zinc/86/46/21/1070864621.db2.gz FFXXPXMIDDPPHV-PCLIKHOPSA-N -1 0 524.504 5.011 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)cc1 ZINC000408893072 1070866817 /nfs/dbraw/zinc/86/68/17/1070866817.db2.gz FFVQDRAZSAXQOU-UDWIEESQSA-N -1 0 511.759 5.348 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408892964 1070868883 /nfs/dbraw/zinc/86/88/83/1070868883.db2.gz DNOUWKPILDETEV-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000408891114 1070880752 /nfs/dbraw/zinc/88/07/52/1070880752.db2.gz LRIUUKVYJPAODR-UYRXBGFRSA-N -1 0 539.813 5.910 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891990 1070875848 /nfs/dbraw/zinc/87/58/48/1070875848.db2.gz WVLKUGYEJCAMEA-CIAFOILYSA-N -1 0 549.421 5.628 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2ccccc2Br)c1 ZINC000408891617 1070876112 /nfs/dbraw/zinc/87/61/12/1070876112.db2.gz UBEBVJGFTPDUNR-UDWIEESQSA-N -1 0 586.236 5.466 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891485 1070876829 /nfs/dbraw/zinc/87/68/29/1070876829.db2.gz RGLCBCKENUYYBT-WSDLNYQXSA-N -1 0 565.420 5.416 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408890763 1070881137 /nfs/dbraw/zinc/88/11/37/1070881137.db2.gz YSSYCPHLRRZEBH-UDWIEESQSA-N -1 0 524.932 5.132 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000408891383 1070878216 /nfs/dbraw/zinc/87/82/16/1070878216.db2.gz PTSXJFYZRUSAIV-QGOAFFKASA-N -1 0 511.361 5.638 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)c(C)c1 ZINC000408891166 1070879737 /nfs/dbraw/zinc/87/97/37/1070879737.db2.gz MLUAILGXOVSGHJ-OEAKJJBVSA-N -1 0 533.422 5.928 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408891015 1070880284 /nfs/dbraw/zinc/88/02/84/1070880284.db2.gz JZFFVICFUONUMG-KEBDBYFISA-N -1 0 587.829 6.194 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408891105 1070880449 /nfs/dbraw/zinc/88/04/49/1070880449.db2.gz LNDNLOGQMDAUEF-UDWIEESQSA-N -1 0 677.289 5.706 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408890603 1070881814 /nfs/dbraw/zinc/88/18/14/1070881814.db2.gz WIKZCEDGTXCOOD-WGOQTCKBSA-N -1 0 601.428 6.413 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409376292 1070889417 /nfs/dbraw/zinc/88/94/17/1070889417.db2.gz WTMSIFYUBQJHMI-HZHRSRAPSA-N -1 0 652.498 5.329 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409376400 1070889516 /nfs/dbraw/zinc/88/95/16/1070889516.db2.gz XWOGOYUQGBJURY-LPYMAVHISA-N -1 0 508.441 5.250 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408890520 1070883684 /nfs/dbraw/zinc/88/36/84/1070883684.db2.gz VAJGMOPUMYHBKC-PCLIKHOPSA-N -1 0 542.588 5.124 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000409357729 1070884929 /nfs/dbraw/zinc/88/49/29/1070884929.db2.gz KADMTSNTCGJGBS-GDNBJRDFSA-N -1 0 521.795 5.265 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408889853 1070885967 /nfs/dbraw/zinc/88/59/67/1070885967.db2.gz JYVFDOFPQFHSCI-MOSHPQCFSA-N -1 0 539.415 6.200 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408889915 1070886772 /nfs/dbraw/zinc/88/67/72/1070886772.db2.gz KXPGQHALIGUWCK-WGOQTCKBSA-N -1 0 677.529 5.779 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000408889764 1070887154 /nfs/dbraw/zinc/88/71/54/1070887154.db2.gz GYJNIZWTEZQWHY-GZTJUZNOSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408889788 1070887698 /nfs/dbraw/zinc/88/76/98/1070887698.db2.gz JDMPGEJSZPWQDG-VXLYETTFSA-N -1 0 645.260 5.764 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408897273 1070891035 /nfs/dbraw/zinc/89/10/35/1070891035.db2.gz IRURUYFOAUEIIK-UCQKPKSFSA-N -1 0 644.437 5.863 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381263 1070899185 /nfs/dbraw/zinc/89/91/85/1070899185.db2.gz SNTJFRJFPLITOE-MFKUBSTISA-N -1 0 557.071 6.475 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000409369962 1070893933 /nfs/dbraw/zinc/89/39/33/1070893933.db2.gz IGURRPMGIKITDS-OEAKJJBVSA-N -1 0 626.516 5.971 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000409370529 1070894046 /nfs/dbraw/zinc/89/40/46/1070894046.db2.gz SIVQAEKYCWCTFS-IYSPOMMRSA-N -1 0 531.472 5.419 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409370950 1070894817 /nfs/dbraw/zinc/89/48/17/1070894817.db2.gz VSYYDTNGLPDGHL-XDHOZWIPSA-N -1 0 598.837 5.103 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408904826 1070900631 /nfs/dbraw/zinc/90/06/31/1070900631.db2.gz PDYJUHLZIXHZQN-CIAFOILYSA-N -1 0 521.367 5.541 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408903621 1070902804 /nfs/dbraw/zinc/90/28/04/1070902804.db2.gz UUJIIGCMXDRIGJ-HZHRSRAPSA-N -1 0 500.913 5.878 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408903651 1070902832 /nfs/dbraw/zinc/90/28/32/1070902832.db2.gz VKGFMXBTUUKOOG-RGVLZGJSSA-N -1 0 643.288 5.213 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409380746 1070906514 /nfs/dbraw/zinc/90/65/14/1070906514.db2.gz ABXRMDCKATXIIM-BOPFTXTBSA-N -1 0 628.863 5.112 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408901556 1070918921 /nfs/dbraw/zinc/91/89/21/1070918921.db2.gz YTKPJICDSKWKDJ-QQXSKIMKSA-N -1 0 569.455 6.773 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000409399259 1070913311 /nfs/dbraw/zinc/91/33/11/1070913311.db2.gz HFJLQSYAGJTQNJ-PXNMLYILSA-N -1 0 552.639 6.450 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(F)cc1 ZINC000409399548 1070913517 /nfs/dbraw/zinc/91/35/17/1070913517.db2.gz JLIZPCUYXCZTEM-ODLFYWEKSA-N -1 0 501.739 5.282 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000409401418 1070916305 /nfs/dbraw/zinc/91/63/05/1070916305.db2.gz YIIVRTGPZHNJRN-YVLHZVERSA-N -1 0 656.645 5.590 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408901924 1070916724 /nfs/dbraw/zinc/91/67/24/1070916724.db2.gz IYBRIVQHBFQQBV-YDZHTSKRSA-N -1 0 570.486 6.531 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408901309 1070922773 /nfs/dbraw/zinc/92/27/73/1070922773.db2.gz XDCNYYWYDWNASJ-MOSHPQCFSA-N -1 0 634.302 5.263 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409405013 1070924208 /nfs/dbraw/zinc/92/42/08/1070924208.db2.gz FTTSQPUVKJATFI-NVMNQCDNSA-N -1 0 503.769 5.696 40 10 KKCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408900961 1070925830 /nfs/dbraw/zinc/92/58/30/1070925830.db2.gz APKDGVMLTOVMJX-RGVLZGJSSA-N -1 0 617.237 6.137 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408901056 1070927148 /nfs/dbraw/zinc/92/71/48/1070927148.db2.gz ZRNNJPZTKADIBJ-YBFXNURJSA-N -1 0 600.263 5.774 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408900814 1070927248 /nfs/dbraw/zinc/92/72/48/1070927248.db2.gz VJADIRWNUDNUIT-BKUYFWCQSA-N -1 0 646.865 5.987 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc43)C2=O)ccc1Br ZINC000408900758 1070930009 /nfs/dbraw/zinc/93/00/09/1070930009.db2.gz UPBAWELBBBDHFP-HMAPJEAMSA-N -1 0 610.291 7.463 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900465 1070934429 /nfs/dbraw/zinc/93/44/29/1070934429.db2.gz STZLMILMTRSNBE-JLPGSUDCSA-N -1 0 518.541 5.259 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)cc3)C2=O)c(C)c1 ZINC000408900221 1070935206 /nfs/dbraw/zinc/93/52/06/1070935206.db2.gz UFMRNISDZJPDHV-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1 ZINC000408900008 1070940063 /nfs/dbraw/zinc/94/00/63/1070940063.db2.gz QYMZHKTWIIJHHI-IMRQLAEWSA-N -1 0 524.548 6.013 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408899981 1070940241 /nfs/dbraw/zinc/94/02/41/1070940241.db2.gz QVUAGYIFDCTLDF-UQQQWYQISA-N -1 0 532.568 5.649 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408899595 1070945099 /nfs/dbraw/zinc/94/50/99/1070945099.db2.gz PKDZRQICAFVOTJ-HAHDFKILSA-N -1 0 549.421 5.792 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408899365 1070945704 /nfs/dbraw/zinc/94/57/04/1070945704.db2.gz OUJCBQQAKPISRI-HAHDFKILSA-N -1 0 535.940 5.282 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000408899824 1070941753 /nfs/dbraw/zinc/94/17/53/1070941753.db2.gz WALYTMHQOCYLIT-BKUYFWCQSA-N -1 0 509.331 5.142 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408899640 1070942427 /nfs/dbraw/zinc/94/24/27/1070942427.db2.gz PQWAIAWAUFWGQG-XKZIYDEJSA-N -1 0 565.966 5.291 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C1=O ZINC000408899064 1070949246 /nfs/dbraw/zinc/94/92/46/1070949246.db2.gz SJUSMAHQGQWBNV-MOSHPQCFSA-N -1 0 525.786 5.656 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408898767 1070952912 /nfs/dbraw/zinc/95/29/12/1070952912.db2.gz MXRRBFZPKUNSOU-UDWIEESQSA-N -1 0 613.848 5.533 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898341 1070956795 /nfs/dbraw/zinc/95/67/95/1070956795.db2.gz LHVJQHNRQPIKIS-IWIPYMOSSA-N -1 0 658.464 6.253 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408898370 1070957561 /nfs/dbraw/zinc/95/75/61/1070957561.db2.gz LSYJFJNOVWKAGK-QRVIBDJDSA-N -1 0 662.364 7.579 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408898361 1070957630 /nfs/dbraw/zinc/95/76/30/1070957630.db2.gz LRGBSUNVUMBGHD-VEILYXNESA-N -1 0 605.488 7.618 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408898443 1070958215 /nfs/dbraw/zinc/95/82/15/1070958215.db2.gz LIUFTLALJMBCPV-FYJGNVAPSA-N -1 0 628.317 6.418 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408898407 1070958305 /nfs/dbraw/zinc/95/83/05/1070958305.db2.gz MBZRENAPUAYUDZ-HAHDFKILSA-N -1 0 643.512 5.379 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408897574 1070965021 /nfs/dbraw/zinc/96/50/21/1070965021.db2.gz YLILVKQPZPDLOT-UDWIEESQSA-N -1 0 628.317 6.473 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3F)C2=O)c1 ZINC000408897832 1070964308 /nfs/dbraw/zinc/96/43/08/1070964308.db2.gz ZSVYGAFOAXWORJ-DEDYPNTBSA-N -1 0 523.358 5.450 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408897852 1070965116 /nfs/dbraw/zinc/96/51/16/1070965116.db2.gz ZWXHIXMRPDCGDI-NDENLUEZSA-N -1 0 567.411 5.849 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000408897384 1070969045 /nfs/dbraw/zinc/96/90/45/1070969045.db2.gz JCIWZTQYCPRKAN-ZVCOJXFSSA-N -1 0 562.404 5.150 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408908091 1070985842 /nfs/dbraw/zinc/98/58/42/1070985842.db2.gz AXCNMEIJUKBJSW-SRZZPIQSSA-N -1 0 600.384 5.383 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408914381 1071012933 /nfs/dbraw/zinc/01/29/33/1071012933.db2.gz PRRPBFLVZOJOBR-DJKKODMXSA-N -1 0 564.194 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408912739 1071022436 /nfs/dbraw/zinc/02/24/36/1071022436.db2.gz RVDFGEOFNQXJSR-VXLYETTFSA-N -1 0 668.200 5.280 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408919128 1071124908 /nfs/dbraw/zinc/12/49/08/1071124908.db2.gz SZXODSBWKHJHFJ-MTJSOVHGSA-N -1 0 569.452 5.706 40 10 KKCBRM Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000408934203 1071201821 /nfs/dbraw/zinc/20/18/21/1071201821.db2.gz CYHZLHBQDYBTNZ-RDRPBHBLSA-N -1 0 567.041 6.781 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408937059 1071203859 /nfs/dbraw/zinc/20/38/59/1071203859.db2.gz MGDRJKVICVRUHH-YBFXNURJSA-N -1 0 535.305 6.258 40 10 KKCBRM Cc1ccc(COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)c2)cc1 ZINC000408936848 1071205260 /nfs/dbraw/zinc/20/52/60/1071205260.db2.gz LCZLMJFANPNWFL-UDWIEESQSA-N -1 0 514.887 5.913 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408936901 1071205913 /nfs/dbraw/zinc/20/59/13/1071205913.db2.gz LHVWDIPFDJADPJ-AFUMVMLFSA-N -1 0 621.448 6.966 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408936464 1071210957 /nfs/dbraw/zinc/21/09/57/1071210957.db2.gz JZGUATAKOYXDKO-VULFUBBASA-N -1 0 621.448 6.966 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000408936540 1071211585 /nfs/dbraw/zinc/21/15/85/1071211585.db2.gz KXXRLGHYAJVRMS-OGLMXYFKSA-N -1 0 556.977 6.304 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc2ccccc2n1Cc1ccccc1F ZINC000408936495 1071211641 /nfs/dbraw/zinc/21/16/41/1071211641.db2.gz KMWMAOQMVBQJHX-MTDXEUNCSA-N -1 0 580.015 6.728 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408935739 1071219734 /nfs/dbraw/zinc/21/97/34/1071219734.db2.gz DOKCZRLKKUWKEY-GIJQJNRQSA-N -1 0 546.750 5.800 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408935946 1071218515 /nfs/dbraw/zinc/21/85/15/1071218515.db2.gz JAAKPXJMNOUUCD-ZVHZXABRSA-N -1 0 729.354 7.431 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408935101 1071225356 /nfs/dbraw/zinc/22/53/56/1071225356.db2.gz GROCYVWHKRFURD-ODLFYWEKSA-N -1 0 501.753 5.892 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408935655 1071222081 /nfs/dbraw/zinc/22/20/81/1071222081.db2.gz IISJYCMHRZDBRL-PKAZHMFMSA-N -1 0 617.883 6.927 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935659 1071222256 /nfs/dbraw/zinc/22/22/56/1071222256.db2.gz IKNJTXTXSSQUGX-CVKSISIWSA-N -1 0 667.523 6.324 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000408935519 1071223560 /nfs/dbraw/zinc/22/35/60/1071223560.db2.gz HNUMAMTZZHSMEB-QRQIAZFYSA-N -1 0 556.977 6.304 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408934983 1071227213 /nfs/dbraw/zinc/22/72/13/1071227213.db2.gz BWVJYMULLANVRD-VXLYETTFSA-N -1 0 631.233 5.374 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2)cc1 ZINC000408934777 1071231766 /nfs/dbraw/zinc/23/17/66/1071231766.db2.gz GALZPODWBAWTHS-MTDXEUNCSA-N -1 0 603.052 5.662 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408934543 1071232339 /nfs/dbraw/zinc/23/23/39/1071232339.db2.gz BFEIVGPARCKRJJ-YDZHTSKRSA-N -1 0 649.397 5.607 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000408934780 1071232357 /nfs/dbraw/zinc/23/23/57/1071232357.db2.gz GANRVSHBWAIKEF-KOEQRZSOSA-N -1 0 556.977 6.304 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408934535 1071232417 /nfs/dbraw/zinc/23/24/17/1071232417.db2.gz BEVTWKAFHMYXSZ-WSDLNYQXSA-N -1 0 549.967 5.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408934259 1071235670 /nfs/dbraw/zinc/23/56/70/1071235670.db2.gz DKTNUYKIQSLWKC-OVVQPSECSA-N -1 0 647.105 6.060 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000408934627 1071233563 /nfs/dbraw/zinc/23/35/63/1071233563.db2.gz FJCQGRJUVDXJLI-GTWSWNCMSA-N -1 0 589.047 7.318 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408933872 1071238123 /nfs/dbraw/zinc/23/81/23/1071238123.db2.gz BVIAXWFDOQIQLT-WQRHYEAKSA-N -1 0 643.821 5.864 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 ZINC000408933871 1071238193 /nfs/dbraw/zinc/23/81/93/1071238193.db2.gz BVCYVRMPBCWZRB-OGLMXYFKSA-N -1 0 601.486 7.435 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)[N-]C1=S ZINC000408932872 1071248811 /nfs/dbraw/zinc/24/88/11/1071248811.db2.gz FHTKPXVNVGZJCQ-LDADJPATSA-N -1 0 534.357 5.398 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000408942601 1071261910 /nfs/dbraw/zinc/26/19/10/1071261910.db2.gz ZPNOWASBJDEBAY-STBIYBPSSA-N -1 0 645.937 7.544 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408946820 1071264921 /nfs/dbraw/zinc/26/49/21/1071264921.db2.gz BETIHHHDZVCRHS-XODNFHPESA-N -1 0 702.577 6.749 40 10 KKCBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O ZINC000408946584 1071269212 /nfs/dbraw/zinc/26/92/12/1071269212.db2.gz APJFKEZXJRQZHG-FOKLQQMPSA-N -1 0 565.464 5.688 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408946424 1071269698 /nfs/dbraw/zinc/26/96/98/1071269698.db2.gz AACWXBSDWPRFII-WKULSOCRSA-N -1 0 580.656 6.548 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000408946442 1071270509 /nfs/dbraw/zinc/27/05/09/1071270509.db2.gz ADZRWCHDAVXLSM-KKMKTNMSSA-N -1 0 802.422 7.748 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408942508 1071299770 /nfs/dbraw/zinc/29/97/70/1071299770.db2.gz QXIRYMFVVUSIPI-RGVLZGJSSA-N -1 0 584.354 5.141 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408942265 1071300407 /nfs/dbraw/zinc/30/04/07/1071300407.db2.gz YQTDYXSASGVDTA-WYMPLXKRSA-N -1 0 700.344 7.728 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408942320 1071300959 /nfs/dbraw/zinc/30/09/59/1071300959.db2.gz QJNVBOLYQMAELM-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408940906 1071314252 /nfs/dbraw/zinc/31/42/52/1071314252.db2.gz VOLOMADRMNMNJL-RWPZCVJISA-N -1 0 675.963 7.552 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Cl)c1O ZINC000408938346 1071331483 /nfs/dbraw/zinc/33/14/83/1071331483.db2.gz QDKWHAHCFHOKPM-QGMBQPNBSA-N -1 0 547.778 5.606 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408938665 1071328695 /nfs/dbraw/zinc/32/86/95/1071328695.db2.gz QXKAYQUFUBHRBY-WYMPLXKRSA-N -1 0 716.799 8.242 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408938673 1071329033 /nfs/dbraw/zinc/32/90/33/1071329033.db2.gz RBLQGQKZMVYSMN-CVKSISIWSA-N -1 0 667.523 6.324 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408938394 1071332335 /nfs/dbraw/zinc/33/23/35/1071332335.db2.gz QIHFQNRVPHRNQS-UYRXBGFRSA-N -1 0 511.759 5.348 40 10 KKCBRM Cc1cc(C)cc(COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)c2)c1 ZINC000408938248 1071333769 /nfs/dbraw/zinc/33/37/69/1071333769.db2.gz PPUYMOIDQZOIIU-CIAFOILYSA-N -1 0 528.914 6.221 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408937791 1071337210 /nfs/dbraw/zinc/33/72/10/1071337210.db2.gz OWCLBMXMCATZAU-JVWAILMASA-N -1 0 773.001 6.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1O ZINC000408937352 1071341510 /nfs/dbraw/zinc/34/15/10/1071341510.db2.gz ODKWMWGCAQIDPS-DJKKODMXSA-N -1 0 653.256 5.948 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408952629 1071344000 /nfs/dbraw/zinc/34/40/00/1071344000.db2.gz ONRYOKLBTMUODM-FJEPWZHXSA-N -1 0 669.616 7.869 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408952454 1071346579 /nfs/dbraw/zinc/34/65/79/1071346579.db2.gz NVZSBSFFIYROJB-XODNFHPESA-N -1 0 659.552 7.310 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408951050 1071352107 /nfs/dbraw/zinc/35/21/07/1071352107.db2.gz KTXIXJDKZFSNKL-UUWWXELCSA-N -1 0 533.068 6.652 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2I)cc1 ZINC000408948445 1071365836 /nfs/dbraw/zinc/36/58/36/1071365836.db2.gz GFSDXSJNEHDBFY-QGMBQPNBSA-N -1 0 708.246 5.178 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408948835 1071362921 /nfs/dbraw/zinc/36/29/21/1071362921.db2.gz HCIGRQXTCQXOBH-KKMKTNMSSA-N -1 0 829.429 7.517 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408948797 1071364079 /nfs/dbraw/zinc/36/40/79/1071364079.db2.gz GXHUDPPIBZHFKN-FZSIALSZSA-N -1 0 580.207 6.274 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408948267 1071365705 /nfs/dbraw/zinc/36/57/05/1071365705.db2.gz FFMNXSXGWMGTDH-KPGMTVGESA-N -1 0 738.622 8.166 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000408947945 1071367698 /nfs/dbraw/zinc/36/76/98/1071367698.db2.gz DWPIXGGFMADNCR-WKULSOCRSA-N -1 0 672.563 7.313 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408947591 1071370413 /nfs/dbraw/zinc/37/04/13/1071370413.db2.gz CPMQOWVHDUAQBQ-IPPBACCNSA-N -1 0 673.579 7.700 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408947336 1071372270 /nfs/dbraw/zinc/37/22/70/1071372270.db2.gz CBOAHRWSDLITPU-XODNFHPESA-N -1 0 676.007 7.824 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408947309 1071372298 /nfs/dbraw/zinc/37/22/98/1071372298.db2.gz BYAHCHSWEOTGNU-KPGMTVGESA-N -1 0 647.171 8.215 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408957048 1071373210 /nfs/dbraw/zinc/37/32/10/1071373210.db2.gz ZWRRRUDWKVXYAX-KKMKTNMSSA-N -1 0 727.426 8.311 40 10 KKCBRM CC[C@@H](C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408955832 1071381445 /nfs/dbraw/zinc/38/14/45/1071381445.db2.gz UTMJTXBFTWPLGR-QOLHISPOSA-N -1 0 521.661 6.747 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408695076 1071385214 /nfs/dbraw/zinc/38/52/14/1071385214.db2.gz OYLWWIKQPKQCNV-XDHOZWIPSA-N -1 0 548.231 5.195 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408953958 1071393184 /nfs/dbraw/zinc/39/31/84/1071393184.db2.gz QRJWWVFJPRGPFO-VXLYETTFSA-N -1 0 555.768 5.077 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408953978 1071393428 /nfs/dbraw/zinc/39/34/28/1071393428.db2.gz QSORXPQZZIOESG-DJKKODMXSA-N -1 0 599.821 5.475 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408953898 1071394544 /nfs/dbraw/zinc/39/45/44/1071394544.db2.gz QKAGYNSIGAOAHZ-KKMKTNMSSA-N -1 0 680.426 8.469 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408692499 1071394505 /nfs/dbraw/zinc/39/45/05/1071394505.db2.gz NVBFQWOTNMTISX-WGOQTCKBSA-N -1 0 562.464 5.840 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408954045 1071393845 /nfs/dbraw/zinc/39/38/45/1071393845.db2.gz REBYXNSVKVVUJI-DPNNOFEESA-N -1 0 627.697 7.461 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692625 1071393921 /nfs/dbraw/zinc/39/39/21/1071393921.db2.gz QZYPLCKFEJANFX-LZYBPNLTSA-N -1 0 568.251 5.748 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408692590 1071394016 /nfs/dbraw/zinc/39/40/16/1071394016.db2.gz QBZHOAPHHBYZHR-VCHYOVAHSA-N -1 0 578.257 5.204 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408692184 1071395341 /nfs/dbraw/zinc/39/53/41/1071395341.db2.gz GRFYGPJJJBEQHB-VCHYOVAHSA-N -1 0 533.806 5.095 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692395 1071395659 /nfs/dbraw/zinc/39/56/59/1071395659.db2.gz LPIPLSSDJQZVIE-RQZCQDPDSA-N -1 0 537.827 6.029 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408953345 1071395681 /nfs/dbraw/zinc/39/56/81/1071395681.db2.gz PYXKSDRZDBYNDV-OKCVXOCRSA-N -1 0 577.637 6.308 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408692004 1071396381 /nfs/dbraw/zinc/39/63/81/1071396381.db2.gz BDLVXTAFQMRBQL-AFUMVMLFSA-N -1 0 552.458 6.384 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966348 1071410175 /nfs/dbraw/zinc/41/01/75/1071410175.db2.gz LYYBAWZUSHKFLM-HYARGMPZSA-N -1 0 531.435 5.236 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408967065 1071407778 /nfs/dbraw/zinc/40/77/78/1071407778.db2.gz PRDVDQJEGVTXKS-GIJQJNRQSA-N -1 0 532.822 5.480 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 ZINC000408966123 1071411689 /nfs/dbraw/zinc/41/16/89/1071411689.db2.gz KBFKASKTSMHSNM-CPNJWEJPSA-N -1 0 526.376 5.244 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000408962429 1071426849 /nfs/dbraw/zinc/42/68/49/1071426849.db2.gz RXGDAUFSRNASFF-LPYMAVHISA-N -1 0 506.400 5.448 40 10 KKCBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 ZINC000408960796 1071430461 /nfs/dbraw/zinc/43/04/61/1071430461.db2.gz OCLUJDCQWPSHDD-UHFFFAOYSA-N -1 0 508.555 5.702 40 10 KKCBRM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n21 ZINC000408958936 1071438443 /nfs/dbraw/zinc/43/84/43/1071438443.db2.gz XLMKTZHZVYEKQA-DQARITGZSA-N -1 0 664.578 5.064 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCCOCCOc2ccccc2)c(Cl)c1 ZINC000408971978 1071451047 /nfs/dbraw/zinc/45/10/47/1071451047.db2.gz MUSNBKHPSDGBPC-QNGOZBTKSA-N -1 0 541.387 5.134 40 10 KKCBRM Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000408970784 1071454044 /nfs/dbraw/zinc/45/40/44/1071454044.db2.gz KEHCCPSQSNTYJB-HAHDFKILSA-N -1 0 526.035 6.210 40 10 KKCBRM CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2)cc1 ZINC000408969513 1071458865 /nfs/dbraw/zinc/45/88/65/1071458865.db2.gz PCZAMZHTQZSKKH-VPBNWZFVSA-N -1 0 533.671 6.762 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408968399 1071461472 /nfs/dbraw/zinc/46/14/72/1071461472.db2.gz YLBVSTZKIHCNMW-ITYLOYPMSA-N -1 0 578.068 7.435 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408968290 1071462168 /nfs/dbraw/zinc/46/21/68/1071462168.db2.gz XYISRYSBXQFUNJ-NTEUORMPSA-N -1 0 506.298 5.132 40 10 KKCBRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000408715029 1071471763 /nfs/dbraw/zinc/47/17/63/1071471763.db2.gz XPNXDQGAEOTVRP-UHFFFAOYSA-N -1 0 543.110 6.110 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408986701 1071487999 /nfs/dbraw/zinc/48/79/99/1071487999.db2.gz DAUYSKWZFYMAQK-HMAPJEAMSA-N -1 0 550.365 5.165 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408986067 1071492330 /nfs/dbraw/zinc/49/23/30/1071492330.db2.gz LMNXPXBQKXRROH-FMCGGJTJSA-N -1 0 652.872 6.660 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408986080 1071493172 /nfs/dbraw/zinc/49/31/72/1071493172.db2.gz ZKIDOYNWQNEKSZ-NHDPSOOVSA-N -1 0 583.866 6.363 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)cc1Cl ZINC000408986010 1071495556 /nfs/dbraw/zinc/49/55/56/1071495556.db2.gz ZBGWWCOAWWSNQH-FMQZQXMHSA-N -1 0 767.572 7.410 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408985696 1071497729 /nfs/dbraw/zinc/49/77/29/1071497729.db2.gz XTWKXLYEXDPGAU-NHDPSOOVSA-N -1 0 630.866 6.206 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000408985695 1071497762 /nfs/dbraw/zinc/49/77/62/1071497762.db2.gz XTLICRPBUMDJPQ-IWIPYMOSSA-N -1 0 505.018 5.569 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408985869 1071497051 /nfs/dbraw/zinc/49/70/51/1071497051.db2.gz YNZQPOTXHOKNGW-MTJSOVHGSA-N -1 0 627.391 5.016 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccccc4Cl)cc3Br)C2=O)cc1 ZINC000408985721 1071498522 /nfs/dbraw/zinc/49/85/22/1071498522.db2.gz YDPWWMSKRJLXEA-NDENLUEZSA-N -1 0 569.839 5.919 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408985714 1071498560 /nfs/dbraw/zinc/49/85/60/1071498560.db2.gz XZVXCYXOZLITIE-OCKHKDLRSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408985067 1071503057 /nfs/dbraw/zinc/50/30/57/1071503057.db2.gz UVBGKKYGWKRGTG-XKZIYDEJSA-N -1 0 675.317 6.260 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408985311 1071502585 /nfs/dbraw/zinc/50/25/85/1071502585.db2.gz WLPXBOJRMBLARA-HAHDFKILSA-N -1 0 596.421 5.498 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408984816 1071506144 /nfs/dbraw/zinc/50/61/44/1071506144.db2.gz STSWCTZEMJAPMZ-NHDPSOOVSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408984157 1071510364 /nfs/dbraw/zinc/51/03/64/1071510364.db2.gz PWBIOZPBPZSBAE-GRSHGNNSSA-N -1 0 604.284 6.708 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408983969 1071513903 /nfs/dbraw/zinc/51/39/03/1071513903.db2.gz OXWADWFXXOLEKF-OCKHKDLRSA-N -1 0 574.258 6.618 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(I)c3)C2=O)cc1Cl ZINC000408983573 1071515068 /nfs/dbraw/zinc/51/50/68/1071515068.db2.gz MKRMFODNUHQCQZ-IUXPMGMMSA-N -1 0 686.127 6.914 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408983346 1071518770 /nfs/dbraw/zinc/51/87/70/1071518770.db2.gz LNNBHBIDNHWGBZ-OCKHKDLRSA-N -1 0 556.358 5.464 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408983172 1071519553 /nfs/dbraw/zinc/51/95/53/1071519553.db2.gz FUUUPEFLMCSPOA-JMIUGGIZSA-N -1 0 559.791 5.327 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408982590 1071525109 /nfs/dbraw/zinc/52/51/09/1071525109.db2.gz ICIAWBMSZMVFMO-GRSHGNNSSA-N -1 0 651.284 6.414 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C2=O)cc1 ZINC000408982622 1071525213 /nfs/dbraw/zinc/52/52/13/1071525213.db2.gz IMTZLAAHCGEDPN-MIXAMLLLSA-N -1 0 554.046 6.555 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C2=O)cc1 ZINC000408982987 1071520923 /nfs/dbraw/zinc/52/09/23/1071520923.db2.gz JJHXXOJTDPJXDM-MIXAMLLLSA-N -1 0 537.591 6.041 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)cc1 ZINC000408981842 1071530933 /nfs/dbraw/zinc/53/09/33/1071530933.db2.gz CXNTZEQHOYNTFS-ODLFYWEKSA-N -1 0 712.709 6.357 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408981900 1071530962 /nfs/dbraw/zinc/53/09/62/1071530962.db2.gz DNBOTMOGCJATDT-MTJSOVHGSA-N -1 0 553.840 6.219 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408982314 1071527322 /nfs/dbraw/zinc/52/73/22/1071527322.db2.gz GMLAJIMKKYHBOD-MTJSOVHGSA-N -1 0 569.839 5.919 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408723470 1071528225 /nfs/dbraw/zinc/52/82/25/1071528225.db2.gz VOLSNEMBOJMCBD-CXUHLZMHSA-N -1 0 559.343 5.433 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408982213 1071529352 /nfs/dbraw/zinc/52/93/52/1071529352.db2.gz CSNXBFNYEBEDKE-HMAPJEAMSA-N -1 0 519.395 5.565 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408982091 1071530032 /nfs/dbraw/zinc/53/00/32/1071530032.db2.gz FPNRYUJQRSBQJC-QQXSKIMKSA-N -1 0 599.481 6.809 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408981815 1071530077 /nfs/dbraw/zinc/53/00/77/1071530077.db2.gz CSPLQNRGVJXETM-UWVJOHFNSA-N -1 0 638.729 7.362 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408981919 1071531649 /nfs/dbraw/zinc/53/16/49/1071531649.db2.gz DSJRVDZPNADSIJ-WSVATBPTSA-N -1 0 624.702 6.972 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408981913 1071531686 /nfs/dbraw/zinc/53/16/86/1071531686.db2.gz DPQZLNVDAXFBSO-BKUYFWCQSA-N -1 0 567.411 5.795 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408981931 1071531804 /nfs/dbraw/zinc/53/18/04/1071531804.db2.gz DZUJNMSYFCZLAH-LSCVHKIXSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722724 1071532108 /nfs/dbraw/zinc/53/21/08/1071532108.db2.gz MSGMJGOKHGQTLH-GIJQJNRQSA-N -1 0 640.770 7.218 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408981810 1071532380 /nfs/dbraw/zinc/53/23/80/1071532380.db2.gz CQQCHLBQCDAKDE-XKZIYDEJSA-N -1 0 641.418 5.406 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408722540 1071532719 /nfs/dbraw/zinc/53/27/19/1071532719.db2.gz JXXDXPQINACYOE-LZYBPNLTSA-N -1 0 626.743 6.828 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408981610 1071532985 /nfs/dbraw/zinc/53/29/85/1071532985.db2.gz BZIWBJNPIZFHGA-OCKHKDLRSA-N -1 0 613.848 5.784 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408981554 1071533132 /nfs/dbraw/zinc/53/31/32/1071533132.db2.gz BQURKBHAJMBZKU-ZMFRSBBQSA-N -1 0 608.909 7.608 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1Cl ZINC000408981657 1071533630 /nfs/dbraw/zinc/53/36/30/1071533630.db2.gz CGBKMGKGPLZABV-JJFYIABZSA-N -1 0 565.840 7.354 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408981317 1071535492 /nfs/dbraw/zinc/53/54/92/1071535492.db2.gz AQJHKJHMCUEKFI-RGVLZGJSSA-N -1 0 559.791 5.327 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(I)c3)C2=O)cc1Cl ZINC000408981332 1071535589 /nfs/dbraw/zinc/53/55/89/1071535589.db2.gz AIYIKJKENVIATP-NVMNQCDNSA-N -1 0 651.682 6.261 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408981510 1071535698 /nfs/dbraw/zinc/53/56/98/1071535698.db2.gz BLOWWIHYPHJQMC-OYKKKHCWSA-N -1 0 526.976 6.056 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408981343 1071536257 /nfs/dbraw/zinc/53/62/57/1071536257.db2.gz ALTHPRAPPOODQU-OCKHKDLRSA-N -1 0 600.809 5.573 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408979823 1071542184 /nfs/dbraw/zinc/54/21/84/1071542184.db2.gz CYWMUAKGVKAPEO-XCQFLATRSA-N -1 0 633.726 5.050 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408994681 1071556215 /nfs/dbraw/zinc/55/62/15/1071556215.db2.gz ZNLXJKKIMPMJCE-HMAPJEAMSA-N -1 0 584.264 6.019 40 10 KKCBRM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993613 1071565424 /nfs/dbraw/zinc/56/54/24/1071565424.db2.gz WKOSJXDTERWPQS-HZHRSRAPSA-N -1 0 651.751 6.748 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408990346 1071590083 /nfs/dbraw/zinc/59/00/83/1071590083.db2.gz XCBUJMDBFVWTLR-GRSHGNNSSA-N -1 0 543.776 5.795 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408989361 1071597852 /nfs/dbraw/zinc/59/78/52/1071597852.db2.gz HNYUESNMPPBCFP-LICLKQGHSA-N -1 0 685.221 7.246 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(CC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408989609 1071595834 /nfs/dbraw/zinc/59/58/34/1071595834.db2.gz UHRWUKZCMKXSDG-AWSUPERCSA-N -1 0 609.682 7.217 40 10 KKCBRM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408989520 1071597046 /nfs/dbraw/zinc/59/70/46/1071597046.db2.gz HZBKXIDJCVFZSK-HYARGMPZSA-N -1 0 647.650 5.823 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)cc1Cl ZINC000408989052 1071600024 /nfs/dbraw/zinc/60/00/24/1071600024.db2.gz JNMDSLHKLPZHMJ-NDENLUEZSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408988545 1071603188 /nfs/dbraw/zinc/60/31/88/1071603188.db2.gz DSWVFRWNZUSSQJ-ZVHZXABRSA-N -1 0 675.704 6.440 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000408739512 1071603347 /nfs/dbraw/zinc/60/33/47/1071603347.db2.gz CJMADZMUZOFTRA-YBFXNURJSA-N -1 0 586.236 5.466 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408987646 1071612457 /nfs/dbraw/zinc/61/24/57/1071612457.db2.gz BMUUFGBZGKDIJP-SFQUDFHCSA-N -1 0 532.628 5.495 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408997155 1071614435 /nfs/dbraw/zinc/61/44/35/1071614435.db2.gz LGLWUMFUZPZTPX-XDHOZWIPSA-N -1 0 527.465 6.148 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408744561 1071615845 /nfs/dbraw/zinc/61/58/45/1071615845.db2.gz YNKBQOOGWSXJJE-DFKUXCBWSA-N -1 0 583.713 7.350 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408743713 1071617243 /nfs/dbraw/zinc/61/72/43/1071617243.db2.gz XPMNMHUIBAJAMP-XDHOZWIPSA-N -1 0 527.827 5.513 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[N-]C1=S ZINC000408743367 1071618322 /nfs/dbraw/zinc/61/83/22/1071618322.db2.gz WACMCZHXZYRYRG-YBEGLDIGSA-N -1 0 536.234 6.156 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C2=O)c1 ZINC000408742258 1071621725 /nfs/dbraw/zinc/62/17/25/1071621725.db2.gz VQJQKHKAMCDOMA-YBFXNURJSA-N -1 0 664.237 5.450 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408996056 1071620078 /nfs/dbraw/zinc/62/00/78/1071620078.db2.gz NVWSYEIWRSEVCG-CXUHLZMHSA-N -1 0 764.117 8.008 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(OCC)c4)C3=O)c1C)CCCC2 ZINC000408742533 1071620692 /nfs/dbraw/zinc/62/06/92/1071620692.db2.gz PORXBWCWXSUMES-HAHDFKILSA-N -1 0 561.660 5.276 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c1C)CCCC2 ZINC000408744342 1071615996 /nfs/dbraw/zinc/61/59/96/1071615996.db2.gz XWJCLYIQINPYCS-BKUYFWCQSA-N -1 0 552.052 5.531 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408740924 1071627266 /nfs/dbraw/zinc/62/72/66/1071627266.db2.gz JDXSADKIIIRVKO-MHWRWJLKSA-N -1 0 532.759 5.102 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408741183 1071627278 /nfs/dbraw/zinc/62/72/78/1071627278.db2.gz KLPIJZLGFBFABD-QRVIBDJDSA-N -1 0 666.391 7.092 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408741169 1071627365 /nfs/dbraw/zinc/62/73/65/1071627365.db2.gz OFMOQNMPJFRFEN-UDWIEESQSA-N -1 0 586.236 5.466 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[N-]C1=S ZINC000408741644 1071623857 /nfs/dbraw/zinc/62/38/57/1071623857.db2.gz MVGMSDSIIKFZMY-FYJGNVAPSA-N -1 0 552.406 5.076 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[N-]C1=S ZINC000408741050 1071627869 /nfs/dbraw/zinc/62/78/69/1071627869.db2.gz JRWAOFHVOLXMGE-MHWRWJLKSA-N -1 0 546.786 5.410 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741551 1071625010 /nfs/dbraw/zinc/62/50/10/1071625010.db2.gz JMTOHXRQEUVSRU-WGOQTCKBSA-N -1 0 589.098 6.638 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408741557 1071625141 /nfs/dbraw/zinc/62/51/41/1071625141.db2.gz MSZOHFYCKZAVFC-VXLYETTFSA-N -1 0 651.174 6.384 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)c2-c2ccccc2)cc1 ZINC000408741230 1071626050 /nfs/dbraw/zinc/62/60/50/1071626050.db2.gz HQSFUKMTLZHUDS-SWKFRHMKSA-N -1 0 567.645 7.185 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408740888 1071628458 /nfs/dbraw/zinc/62/84/58/1071628458.db2.gz IXWOOUYORPDJDP-BKUYFWCQSA-N -1 0 555.441 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408740458 1071630724 /nfs/dbraw/zinc/63/07/24/1071630724.db2.gz GEKLOONKSRYAOI-YBFXNURJSA-N -1 0 604.853 5.364 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408740124 1071632003 /nfs/dbraw/zinc/63/20/03/1071632003.db2.gz ILPCLVTZACGDBI-WOJGMQOQSA-N -1 0 556.210 5.457 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C2=O)cc1 ZINC000408740114 1071632076 /nfs/dbraw/zinc/63/20/76/1071632076.db2.gz IHHTUUBDVKYVLB-YBFXNURJSA-N -1 0 680.236 5.150 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408740064 1071632082 /nfs/dbraw/zinc/63/20/82/1071632082.db2.gz IDDSJTMMNFPMFH-ODLFYWEKSA-N -1 0 555.812 5.665 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408756791 1071636603 /nfs/dbraw/zinc/63/66/03/1071636603.db2.gz XHMMHFWMBJHCJD-RGVLZGJSSA-N -1 0 614.290 6.082 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)ccc1Br ZINC000408756008 1071640351 /nfs/dbraw/zinc/64/03/51/1071640351.db2.gz QIUSXZQGRQGVEH-YBFXNURJSA-N -1 0 662.234 5.516 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408756009 1071640408 /nfs/dbraw/zinc/64/04/08/1071640408.db2.gz SUEPDWWVHYQLOF-VXLYETTFSA-N -1 0 692.260 5.524 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)ccc1Br ZINC000408755928 1071642096 /nfs/dbraw/zinc/64/20/96/1071642096.db2.gz SJSKSSNQWFLNPN-FRKPEAEDSA-N -1 0 673.572 7.726 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)ccc1Br ZINC000408755910 1071642108 /nfs/dbraw/zinc/64/21/08/1071642108.db2.gz SJJYCKPKLIFBBZ-WSDLNYQXSA-N -1 0 699.193 7.681 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408755931 1071642157 /nfs/dbraw/zinc/64/21/57/1071642157.db2.gz WWRHKDSLSGDAOO-XDHOZWIPSA-N -1 0 526.818 5.793 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)ccc1Br ZINC000408755909 1071642169 /nfs/dbraw/zinc/64/21/69/1071642169.db2.gz WUUPXVKTPLQMIA-YBFXNURJSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408755708 1071642712 /nfs/dbraw/zinc/64/27/12/1071642712.db2.gz MKCHKZLPSGKIEC-LPYMAVHISA-N -1 0 597.296 7.042 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(I)c3)C2=O)ccc1Br ZINC000408755575 1071643859 /nfs/dbraw/zinc/64/38/59/1071643859.db2.gz VULYEOVEUXFKCE-GIJQJNRQSA-N -1 0 714.123 6.509 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408755633 1071644360 /nfs/dbraw/zinc/64/43/60/1071644360.db2.gz RGJRGCKUXLEYHI-UDWIEESQSA-N -1 0 614.290 6.164 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C2=O)ccc1Br ZINC000408755655 1071644555 /nfs/dbraw/zinc/64/45/55/1071644555.db2.gz RSMVNCNERHVDDJ-USHMODERSA-N -1 0 636.933 8.202 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409001450 1071644938 /nfs/dbraw/zinc/64/49/38/1071644938.db2.gz VWIDOLLGINGPIG-MDWZMJQESA-N -1 0 740.084 8.244 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408754560 1071651146 /nfs/dbraw/zinc/65/11/46/1071651146.db2.gz GDPVRRDFGFLQCV-PXNMLYILSA-N -1 0 723.230 5.646 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408754533 1071650428 /nfs/dbraw/zinc/65/04/28/1071650428.db2.gz KQSUHNMOLXIJJA-YBFXNURJSA-N -1 0 632.280 6.303 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408754519 1071650530 /nfs/dbraw/zinc/65/05/30/1071650530.db2.gz RDOTWOQNMCMIGA-RQZCQDPDSA-N -1 0 669.153 7.081 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408999796 1071652137 /nfs/dbraw/zinc/65/21/37/1071652137.db2.gz VVQQMXLYPRRPJC-MHWRWJLKSA-N -1 0 564.280 5.787 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408754440 1071652433 /nfs/dbraw/zinc/65/24/33/1071652433.db2.gz QSXKIVSLYVMFAW-CIAFOILYSA-N -1 0 628.317 6.473 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2I)cc1 ZINC000408753704 1071656338 /nfs/dbraw/zinc/65/63/38/1071656338.db2.gz BQKBOQGAPIJDKO-VXLYETTFSA-N -1 0 757.160 6.521 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408751645 1071669559 /nfs/dbraw/zinc/66/95/59/1071669559.db2.gz AXSGYYAFDVGZCW-ZVHZXABRSA-N -1 0 660.437 6.440 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)ccc1Br ZINC000408760860 1071695298 /nfs/dbraw/zinc/69/52/98/1071695298.db2.gz AHFDLHZYOMYPNS-HYARGMPZSA-N -1 0 514.379 5.427 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)ccc1Br ZINC000408760363 1071696860 /nfs/dbraw/zinc/69/68/60/1071696860.db2.gz XIRVUBFEQXITRI-GIJQJNRQSA-N -1 0 741.130 6.278 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408758877 1071703124 /nfs/dbraw/zinc/70/31/24/1071703124.db2.gz TUQIOVBYWWTJAB-GIJQJNRQSA-N -1 0 683.180 7.471 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408760162 1071698509 /nfs/dbraw/zinc/69/85/09/1071698509.db2.gz SPQRAZPNXNHOTM-ZVHZXABRSA-N -1 0 664.350 7.317 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408759209 1071702082 /nfs/dbraw/zinc/70/20/82/1071702082.db2.gz ZUIVFFJJLGPYBP-REZTVBANSA-N -1 0 629.121 7.617 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(I)cc4)o3)C2=O)ccc1Br ZINC000408757772 1071710194 /nfs/dbraw/zinc/71/01/94/1071710194.db2.gz BUPKLGSLMZBRHI-GZTJUZNOSA-N -1 0 577.172 5.289 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409025452 1071709077 /nfs/dbraw/zinc/70/90/77/1071709077.db2.gz RJVWKTSXDSVSPK-RQZCQDPDSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408757938 1071709281 /nfs/dbraw/zinc/70/92/81/1071709281.db2.gz DVUHBXKCCHJCDQ-RGVLZGJSSA-N -1 0 659.287 6.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409024580 1071711733 /nfs/dbraw/zinc/71/17/33/1071711733.db2.gz FDPYONNZDCHUAC-GZTJUZNOSA-N -1 0 590.655 6.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408766342 1071713947 /nfs/dbraw/zinc/71/39/47/1071713947.db2.gz ULIDOAZNZDRSBD-VXLYETTFSA-N -1 0 590.257 6.318 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000408766266 1071720725 /nfs/dbraw/zinc/72/07/25/1071720725.db2.gz BAPGMQZRYYJANQ-BUVRLJJBSA-N -1 0 561.819 6.501 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408767053 1071715880 /nfs/dbraw/zinc/71/58/80/1071715880.db2.gz VCOYZDTYWFUWOI-RGVLZGJSSA-N -1 0 659.287 6.072 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Cl)c3)C2=O)ccc1Br ZINC000408766464 1071719518 /nfs/dbraw/zinc/71/95/18/1071719518.db2.gz QZQYIHUUFVHQOJ-REZTVBANSA-N -1 0 604.240 6.038 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408765618 1071723332 /nfs/dbraw/zinc/72/33/32/1071723332.db2.gz ZAIWSJJFNAPMMK-PCLIKHOPSA-N -1 0 585.454 6.555 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409021309 1071723606 /nfs/dbraw/zinc/72/36/06/1071723606.db2.gz AVIOGCGJZTWFMH-CXUHLZMHSA-N -1 0 537.819 5.817 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)ccc1Br ZINC000408765486 1071723681 /nfs/dbraw/zinc/72/36/81/1071723681.db2.gz PZWQLTLQWATUPY-RQZCQDPDSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)ccc1Br ZINC000408765246 1071725102 /nfs/dbraw/zinc/72/51/02/1071725102.db2.gz UUZFGLUXBLPACX-XDHOZWIPSA-N -1 0 570.237 5.765 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)ccc1Br ZINC000408765008 1071725144 /nfs/dbraw/zinc/72/51/44/1071725144.db2.gz VVKVVPRBMLDSJQ-REZTVBANSA-N -1 0 740.142 6.099 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408764789 1071727400 /nfs/dbraw/zinc/72/74/00/1071727400.db2.gz NFKNDUBTDBQSBT-RGVLZGJSSA-N -1 0 695.735 6.660 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408764673 1071727905 /nfs/dbraw/zinc/72/79/05/1071727905.db2.gz JSWIMRUNHFPFLG-GIJQJNRQSA-N -1 0 683.578 7.181 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)ccc1Br ZINC000408764621 1071727932 /nfs/dbraw/zinc/72/79/32/1071727932.db2.gz JPWFULZUDRJOTO-FRKPEAEDSA-N -1 0 718.023 7.835 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408764433 1071728272 /nfs/dbraw/zinc/72/82/72/1071728272.db2.gz IPMBSDKTWNXOFF-YBFXNURJSA-N -1 0 696.133 6.370 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)ccc1Br ZINC000408763972 1071730660 /nfs/dbraw/zinc/73/06/60/1071730660.db2.gz HKTVQSMWOBFZDQ-REZTVBANSA-N -1 0 648.691 6.148 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408763641 1071731931 /nfs/dbraw/zinc/73/19/31/1071731931.db2.gz GFGQMIJITJDIHQ-FYJGNVAPSA-N -1 0 580.391 5.310 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(I)c3)C2=O)ccc1Br ZINC000408762416 1071735565 /nfs/dbraw/zinc/73/55/65/1071735565.db2.gz KOBQWUYZJDUMOR-WSDLNYQXSA-N -1 0 746.193 7.523 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408762269 1071736380 /nfs/dbraw/zinc/73/63/80/1071736380.db2.gz ALOPTCVENAVBTC-VCHYOVAHSA-N -1 0 634.708 6.427 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408763093 1071734208 /nfs/dbraw/zinc/73/42/08/1071734208.db2.gz RFNNFIQLRHNCTR-ZDLGFXPLSA-N -1 0 634.708 6.427 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408761396 1071739895 /nfs/dbraw/zinc/73/98/95/1071739895.db2.gz JRKHZLFWOLPUDB-GIJQJNRQSA-N -1 0 667.123 6.667 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408761288 1071740206 /nfs/dbraw/zinc/74/02/06/1071740206.db2.gz DEHVJYJCUVUZKZ-RGVLZGJSSA-N -1 0 679.280 6.145 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2I)c1 ZINC000408777028 1071746580 /nfs/dbraw/zinc/74/65/80/1071746580.db2.gz UBOHSNTVXRJSQT-SRZZPIQSSA-N -1 0 645.291 6.224 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408775983 1071751449 /nfs/dbraw/zinc/75/14/49/1071751449.db2.gz LPUYPMMBNCTYDE-RGVLZGJSSA-N -1 0 590.257 6.400 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000408776052 1071751937 /nfs/dbraw/zinc/75/19/37/1071751937.db2.gz LKBWERBDNINCGQ-GIJQJNRQSA-N -1 0 672.100 6.606 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000408776025 1071751955 /nfs/dbraw/zinc/75/19/55/1071751955.db2.gz MJWLIFAJOPEUFT-KOEQRZSOSA-N -1 0 562.116 6.317 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408776766 1071748508 /nfs/dbraw/zinc/74/85/08/1071748508.db2.gz YTBYRCAFTNSEJB-MFKUBSTISA-N -1 0 585.454 6.555 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408775871 1071752539 /nfs/dbraw/zinc/75/25/39/1071752539.db2.gz KMRMPMOKFFKBDH-RQZCQDPDSA-N -1 0 613.803 7.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408776679 1071749023 /nfs/dbraw/zinc/74/90/23/1071749023.db2.gz PMOZHQZWNCIXCP-GIJQJNRQSA-N -1 0 635.652 6.019 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408776523 1071750001 /nfs/dbraw/zinc/75/00/01/1071750001.db2.gz OYJBIZQJLOSRMQ-STBIYBPSSA-N -1 0 554.046 6.610 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408776254 1071750031 /nfs/dbraw/zinc/75/00/31/1071750031.db2.gz VXFQXDYTSXBMFA-VCHYOVAHSA-N -1 0 651.284 6.469 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408775683 1071753617 /nfs/dbraw/zinc/75/36/17/1071753617.db2.gz RGGMAMIRDNLPIH-GIJQJNRQSA-N -1 0 637.257 6.160 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408775373 1071754614 /nfs/dbraw/zinc/75/46/14/1071754614.db2.gz PPSJIBSIWIWALA-LICLKQGHSA-N -1 0 557.386 5.265 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408775128 1071756933 /nfs/dbraw/zinc/75/69/33/1071756933.db2.gz OHJXLQAOKNRVBM-VXLYETTFSA-N -1 0 629.891 6.072 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000408774453 1071761255 /nfs/dbraw/zinc/76/12/55/1071761255.db2.gz XHICLYJDMWWKPW-LFVJCYFKSA-N -1 0 516.022 6.062 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408774261 1071762278 /nfs/dbraw/zinc/76/22/78/1071762278.db2.gz YRPAWPIXSTTZDX-OKCVXOCRSA-N -1 0 533.672 6.537 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408774089 1071762847 /nfs/dbraw/zinc/76/28/47/1071762847.db2.gz AJFZTUZLYHGHCA-AFUMVMLFSA-N -1 0 585.454 6.473 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408774692 1071759524 /nfs/dbraw/zinc/75/95/24/1071759524.db2.gz XDHDESZCTMUCPL-XQNSMLJCSA-N -1 0 518.063 5.918 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408774628 1071760501 /nfs/dbraw/zinc/76/05/01/1071760501.db2.gz XJBRWAVSEWHFRI-HZHRSRAPSA-N -1 0 550.522 6.294 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408774142 1071763498 /nfs/dbraw/zinc/76/34/98/1071763498.db2.gz BIHKBHZRNCSAOT-KEBDBYFISA-N -1 0 676.261 5.824 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408773919 1071763975 /nfs/dbraw/zinc/76/39/75/1071763975.db2.gz UACJFECBTXKUMF-RQZCQDPDSA-N -1 0 705.254 7.261 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408773045 1071769635 /nfs/dbraw/zinc/76/96/35/1071769635.db2.gz PADLJEYDMFLUGY-BUVRLJJBSA-N -1 0 567.514 5.369 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408772652 1071772270 /nfs/dbraw/zinc/77/22/70/1071772270.db2.gz QCKQCEMWQWAMJQ-WOJGMQOQSA-N -1 0 591.951 6.289 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000408772387 1071773891 /nfs/dbraw/zinc/77/38/91/1071773891.db2.gz LGMVXPYLOHCEQI-REZTVBANSA-N -1 0 545.762 5.621 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408771996 1071777221 /nfs/dbraw/zinc/77/72/21/1071777221.db2.gz JNMYJXRKUIFQMO-OGLMXYFKSA-N -1 0 537.591 6.095 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)cc1 ZINC000408771958 1071777293 /nfs/dbraw/zinc/77/72/93/1071777293.db2.gz JHMSNUMMKSIPNU-QGMBQPNBSA-N -1 0 614.246 5.494 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408771781 1071778360 /nfs/dbraw/zinc/77/83/60/1071778360.db2.gz IADCQVOCGGUZCT-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408771630 1071778772 /nfs/dbraw/zinc/77/87/72/1071778772.db2.gz JUPDSBXHQXFACA-VCHYOVAHSA-N -1 0 565.331 6.266 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408771042 1071782759 /nfs/dbraw/zinc/78/27/59/1071782759.db2.gz DVPIVMUUCRHBAO-VCHYOVAHSA-N -1 0 548.876 5.752 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408771063 1071783392 /nfs/dbraw/zinc/78/33/92/1071783392.db2.gz FFNKAEVXFQEHNB-LFVJCYFKSA-N -1 0 526.390 5.882 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)C2=O)c1 ZINC000408768314 1071802356 /nfs/dbraw/zinc/80/23/56/1071802356.db2.gz VWLKXFCOCXUOHG-KEBDBYFISA-N -1 0 621.258 6.460 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)ccc1Br ZINC000408767357 1071809396 /nfs/dbraw/zinc/80/93/96/1071809396.db2.gz ZWQNRXGUZNMHGI-GIJQJNRQSA-N -1 0 578.221 6.449 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408767423 1071809729 /nfs/dbraw/zinc/80/97/29/1071809729.db2.gz XJTXOXZBZQGXKE-RGVLZGJSSA-N -1 0 614.290 6.082 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408767448 1071809850 /nfs/dbraw/zinc/80/98/50/1071809850.db2.gz XTIQYABBSQKFHE-RGVLZGJSSA-N -1 0 693.186 6.927 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408782427 1071810545 /nfs/dbraw/zinc/81/05/45/1071810545.db2.gz GXYSDRQPZWNONL-YBFXNURJSA-N -1 0 579.358 6.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409047181 1071827016 /nfs/dbraw/zinc/82/70/16/1071827016.db2.gz NLESGQNKGPLVCD-RQZCQDPDSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1Cl ZINC000409046820 1071828120 /nfs/dbraw/zinc/82/81/20/1071828120.db2.gz MNUADIVVBXOPAZ-QGMBQPNBSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)c1 ZINC000408779699 1071828248 /nfs/dbraw/zinc/82/82/48/1071828248.db2.gz IBXOSPFMENBSDL-UFWORHAWSA-N -1 0 700.154 7.223 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 ZINC000408779590 1071829671 /nfs/dbraw/zinc/82/96/71/1071829671.db2.gz ZCTVMFZKYVBLDZ-GIJQJNRQSA-N -1 0 655.645 6.092 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000409045544 1071825040 /nfs/dbraw/zinc/82/50/40/1071825040.db2.gz ZCKVRNCYZWTRJB-VXLYETTFSA-N -1 0 668.747 5.916 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(Br)c3)C2=O)c1 ZINC000408778701 1071835631 /nfs/dbraw/zinc/83/56/31/1071835631.db2.gz WVRSWDTYIHEYOB-CIAFOILYSA-N -1 0 631.264 5.916 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000408779256 1071831442 /nfs/dbraw/zinc/83/14/42/1071831442.db2.gz CLFHYXMACHNDHV-GIJQJNRQSA-N -1 0 702.645 5.934 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1C ZINC000409046357 1071832044 /nfs/dbraw/zinc/83/20/44/1071832044.db2.gz KFUGIFKSOVGOMK-SRZZPIQSSA-N -1 0 574.258 6.618 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409046424 1071832848 /nfs/dbraw/zinc/83/28/48/1071832848.db2.gz KNUXRFBLUSKBOC-VXLYETTFSA-N -1 0 619.197 5.504 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408778782 1071834618 /nfs/dbraw/zinc/83/46/18/1071834618.db2.gz KMTBOFXENFOKHP-CIAFOILYSA-N -1 0 553.384 5.541 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408778108 1071840095 /nfs/dbraw/zinc/84/00/95/1071840095.db2.gz BAKBRCJESQDZFT-YBFXNURJSA-N -1 0 586.236 5.466 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(I)c3)C2=O)c1 ZINC000408778123 1071840107 /nfs/dbraw/zinc/84/01/07/1071840107.db2.gz BMBUWKNVYYKIMU-RGVLZGJSSA-N -1 0 631.264 5.916 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409045821 1071837915 /nfs/dbraw/zinc/83/79/15/1071837915.db2.gz IFORHDCTXBFDOW-CXUHLZMHSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408778274 1071838844 /nfs/dbraw/zinc/83/88/44/1071838844.db2.gz CSGLPANZRBSJPZ-VCHYOVAHSA-N -1 0 604.682 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409045639 1071839543 /nfs/dbraw/zinc/83/95/43/1071839543.db2.gz GTYDUKBVFKUKNO-QGMBQPNBSA-N -1 0 530.295 5.286 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409045150 1071843236 /nfs/dbraw/zinc/84/32/36/1071843236.db2.gz HVMJTSSNHHPHRS-OEAKJJBVSA-N -1 0 606.270 6.610 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409045152 1071843389 /nfs/dbraw/zinc/84/33/89/1071843389.db2.gz FJNHREIMFSYLIW-QGMBQPNBSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408777470 1071843508 /nfs/dbraw/zinc/84/35/08/1071843508.db2.gz AAYJIVIFBOMRDZ-HYARGMPZSA-N -1 0 535.394 5.402 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(I)c3)C2=O)c1 ZINC000408777289 1071843978 /nfs/dbraw/zinc/84/39/78/1071843978.db2.gz XUNXXCBVWXJHNH-VXLYETTFSA-N -1 0 649.254 6.055 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000408777302 1071844107 /nfs/dbraw/zinc/84/41/07/1071844107.db2.gz XQRPYFJIADCYSB-WOJGMQOQSA-N -1 0 593.204 5.843 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409045011 1071844701 /nfs/dbraw/zinc/84/47/01/1071844701.db2.gz XJELNVHBNQSIKT-YBFXNURJSA-N -1 0 590.655 6.110 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(C)C)c(Br)c3)C2=O)cc1C ZINC000409045025 1071844844 /nfs/dbraw/zinc/84/48/44/1071844844.db2.gz XMHICRSJUSMGDH-CAOOACKPSA-N -1 0 550.247 5.530 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408777394 1071844827 /nfs/dbraw/zinc/84/48/27/1071844827.db2.gz YFWDOPWBGIWPCW-CXUHLZMHSA-N -1 0 612.935 5.031 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408787211 1071845240 /nfs/dbraw/zinc/84/52/40/1071845240.db2.gz UWPAHMJXJONYQV-OEAKJJBVSA-N -1 0 536.495 5.985 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409044763 1071845412 /nfs/dbraw/zinc/84/54/12/1071845412.db2.gz DDQDLACOAWEXSS-VCHYOVAHSA-N -1 0 592.190 5.735 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408786681 1071849278 /nfs/dbraw/zinc/84/92/78/1071849278.db2.gz MBJNGRRDUSNZJO-ODNPBWNPSA-N -1 0 704.665 8.570 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000409044590 1071849679 /nfs/dbraw/zinc/84/96/79/1071849679.db2.gz WCKOAVOQLDQYFN-SRZZPIQSSA-N -1 0 629.261 5.982 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Br)cc1 ZINC000408786512 1071849646 /nfs/dbraw/zinc/84/96/46/1071849646.db2.gz RPHTXDXGINAPRY-SRZZPIQSSA-N -1 0 598.291 6.382 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408786418 1071851175 /nfs/dbraw/zinc/85/11/75/1071851175.db2.gz JOOZEVLFZBYDAT-VGOFMYFVSA-N -1 0 725.672 7.524 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409044096 1071853111 /nfs/dbraw/zinc/85/31/11/1071853111.db2.gz AUEFTQKBBQLJAD-VCHYOVAHSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409043917 1071853789 /nfs/dbraw/zinc/85/37/89/1071853789.db2.gz AEXFOIRKYGTKKN-VZUCSPMQSA-N -1 0 549.002 5.193 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408785657 1071856534 /nfs/dbraw/zinc/85/65/34/1071856534.db2.gz XSEKXNHJUVYMRB-LPYMAVHISA-N -1 0 504.970 5.601 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409043356 1071860105 /nfs/dbraw/zinc/86/01/05/1071860105.db2.gz QGKCHCFQIYMJMQ-DJKKODMXSA-N -1 0 580.649 6.655 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408784673 1071863323 /nfs/dbraw/zinc/86/33/23/1071863323.db2.gz ROVRFTLVUSJPKQ-CIAFOILYSA-N -1 0 597.365 5.062 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408783513 1071870605 /nfs/dbraw/zinc/87/06/05/1071870605.db2.gz MESHJRPPXZYNBP-IPPBACCNSA-N -1 0 554.090 6.882 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408783982 1071865998 /nfs/dbraw/zinc/86/59/98/1071865998.db2.gz OYYQLKRLLGNKAA-OEAKJJBVSA-N -1 0 519.985 5.893 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408784044 1071866678 /nfs/dbraw/zinc/86/66/78/1071866678.db2.gz RXTHIDJSJKQWSO-CIAFOILYSA-N -1 0 535.940 5.201 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(I)c3)C2=O)c1 ZINC000408783970 1071867623 /nfs/dbraw/zinc/86/76/23/1071867623.db2.gz OXHHIFIAQBOGSR-CIAFOILYSA-N -1 0 631.264 5.916 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000408783808 1071868094 /nfs/dbraw/zinc/86/80/94/1071868094.db2.gz NDJICYXNVGDQDF-LICLKQGHSA-N -1 0 545.857 6.034 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000409042641 1071868215 /nfs/dbraw/zinc/86/82/15/1071868215.db2.gz NXONNYYPZZZMBU-YBFXNURJSA-N -1 0 572.209 5.163 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000408783642 1071868991 /nfs/dbraw/zinc/86/89/91/1071868991.db2.gz OAZYGLLFRGCSPL-WOJGMQOQSA-N -1 0 575.883 6.124 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408783664 1071869515 /nfs/dbraw/zinc/86/95/15/1071869515.db2.gz PTGXQPJFQARRNM-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408782946 1071874912 /nfs/dbraw/zinc/87/49/12/1071874912.db2.gz LKRFLEFEGJSFQZ-ZVHZXABRSA-N -1 0 652.872 6.742 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408797079 1071877510 /nfs/dbraw/zinc/87/75/10/1071877510.db2.gz FSAJGRHIEYHJTF-ZVHZXABRSA-N -1 0 648.453 6.103 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408797214 1071876912 /nfs/dbraw/zinc/87/69/12/1071876912.db2.gz BXFPDEFUTFKRAE-OEAKJJBVSA-N -1 0 563.006 5.469 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408797189 1071876941 /nfs/dbraw/zinc/87/69/41/1071876941.db2.gz BRWMPLBEYZQWHP-GIJQJNRQSA-N -1 0 531.779 5.901 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408782872 1071874356 /nfs/dbraw/zinc/87/43/56/1071874356.db2.gz KEUDVJDQWJZIMX-ZRDIBKRKSA-N -1 0 515.403 5.445 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409041600 1071878829 /nfs/dbraw/zinc/87/88/29/1071878829.db2.gz ASSQVHFSBZFVQG-VXLYETTFSA-N -1 0 564.194 6.140 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409041507 1071880505 /nfs/dbraw/zinc/88/05/05/1071880505.db2.gz JUXFOEDYHZQMBI-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408796062 1071880580 /nfs/dbraw/zinc/88/05/80/1071880580.db2.gz DBUVFMOQUIXFRZ-WGOQTCKBSA-N -1 0 520.585 6.019 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1 ZINC000409040300 1071891861 /nfs/dbraw/zinc/89/18/61/1071891861.db2.gz GFSUYEIUIOCSJZ-MFKUBSTISA-N -1 0 561.421 6.791 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409040699 1071887566 /nfs/dbraw/zinc/88/75/66/1071887566.db2.gz HSAJVYBIJCMLGZ-QGMBQPNBSA-N -1 0 536.198 6.546 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)sc2=N1 ZINC000409040777 1071888033 /nfs/dbraw/zinc/88/80/33/1071888033.db2.gz UOOWFMKFHURVNK-KEPJHFNWSA-N -1 0 678.605 5.455 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409039847 1071895126 /nfs/dbraw/zinc/89/51/26/1071895126.db2.gz DVMCGFQGJDVYJL-VXLYETTFSA-N -1 0 646.204 5.273 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408788432 1071898930 /nfs/dbraw/zinc/89/89/30/1071898930.db2.gz FMKUPDYQFAAGMQ-OGLMXYFKSA-N -1 0 616.537 6.276 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409039659 1071896230 /nfs/dbraw/zinc/89/62/30/1071896230.db2.gz CVDCOCKEJBFEDW-VXLYETTFSA-N -1 0 503.288 5.517 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408788232 1071899042 /nfs/dbraw/zinc/89/90/42/1071899042.db2.gz COAWFQUAXXTCGO-WSDLNYQXSA-N -1 0 549.421 5.628 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408806426 1071904491 /nfs/dbraw/zinc/90/44/91/1071904491.db2.gz JEJCXFPVLZLAKD-YZSQISJMSA-N -1 0 510.521 5.623 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C1=O ZINC000409038813 1071904838 /nfs/dbraw/zinc/90/48/38/1071904838.db2.gz BGVPPJGOTRYPON-VCHYOVAHSA-N -1 0 594.676 6.963 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408806007 1071905067 /nfs/dbraw/zinc/90/50/67/1071905067.db2.gz DQTVRIHGEUJEDV-KEBDBYFISA-N -1 0 559.833 6.599 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408805841 1071905693 /nfs/dbraw/zinc/90/56/93/1071905693.db2.gz HWJILLCFEWZXHI-RGVLZGJSSA-N -1 0 570.783 5.565 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408806983 1071901985 /nfs/dbraw/zinc/90/19/85/1071901985.db2.gz JQJHVMIANCASCO-VCHYOVAHSA-N -1 0 529.351 5.695 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408806989 1071902005 /nfs/dbraw/zinc/90/20/05/1071902005.db2.gz NVHPRIWZUYMYMQ-BUVRLJJBSA-N -1 0 549.421 5.710 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408805457 1071906235 /nfs/dbraw/zinc/90/62/35/1071906235.db2.gz KEKYVZXLDBYANU-WSDLNYQXSA-N -1 0 583.866 6.363 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C(=O)[N-]C2=S)cc1C ZINC000408806665 1071903315 /nfs/dbraw/zinc/90/33/15/1071903315.db2.gz AUHWVCMBMOPSTK-WGOQTCKBSA-N -1 0 527.045 6.520 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000408805275 1071906836 /nfs/dbraw/zinc/90/68/36/1071906836.db2.gz FRYFUPLURGDMLN-WGOQTCKBSA-N -1 0 525.004 6.664 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408804588 1071908692 /nfs/dbraw/zinc/90/86/92/1071908692.db2.gz YORKRRWTRBDQES-RGVLZGJSSA-N -1 0 599.821 5.143 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408804840 1071908794 /nfs/dbraw/zinc/90/87/94/1071908794.db2.gz BSNISKPRYGNRAE-ZVHZXABRSA-N -1 0 531.395 6.700 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408802988 1071909899 /nfs/dbraw/zinc/90/98/99/1071909899.db2.gz JZZYOMHRNZDHAP-RGVLZGJSSA-N -1 0 529.807 6.455 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Br)c3)C2=O)cc1Cl ZINC000408803075 1071910656 /nfs/dbraw/zinc/91/06/56/1071910656.db2.gz KZAKZNNPSZVZRD-YDZHTSKRSA-N -1 0 589.873 7.118 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409050655 1071910668 /nfs/dbraw/zinc/91/06/68/1071910668.db2.gz YFQULAMUJWTLRX-MKMNVTDBSA-N -1 0 707.187 6.833 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408802730 1071911335 /nfs/dbraw/zinc/91/13/35/1071911335.db2.gz GQZXYCMZBOJBSO-MFKUBSTISA-N -1 0 599.481 6.727 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408802210 1071912340 /nfs/dbraw/zinc/91/23/40/1071912340.db2.gz YMLOUDQUAIASSQ-KEBDBYFISA-N -1 0 545.806 6.291 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409049496 1071912931 /nfs/dbraw/zinc/91/29/31/1071912931.db2.gz XDZLEQUKVWLLSM-CXUHLZMHSA-N -1 0 669.551 6.873 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408797852 1071913043 /nfs/dbraw/zinc/91/30/43/1071913043.db2.gz CYWJHZHGQHWKEX-CAOOACKPSA-N -1 0 624.702 6.972 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2)C1=O ZINC000409047449 1071915729 /nfs/dbraw/zinc/91/57/29/1071915729.db2.gz ORTRDXZTQROUDY-WOJGMQOQSA-N -1 0 604.682 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409056939 1071918770 /nfs/dbraw/zinc/91/87/70/1071918770.db2.gz NQIZJXVIJCSIEO-AFUMVMLFSA-N -1 0 591.422 6.957 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409056995 1071918782 /nfs/dbraw/zinc/91/87/82/1071918782.db2.gz OEABJDWLOJDJMR-SSDVNMTOSA-N -1 0 651.267 6.518 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409056991 1071918793 /nfs/dbraw/zinc/91/87/93/1071918793.db2.gz ODLNILSJDDHPRJ-OQLLNIDSSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409056455 1071920874 /nfs/dbraw/zinc/92/08/74/1071920874.db2.gz MHNBZJYMJDRFIO-YBFXNURJSA-N -1 0 601.207 5.365 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000409056497 1071921311 /nfs/dbraw/zinc/92/13/11/1071921311.db2.gz MLISOXJTTFXPQP-GIJQJNRQSA-N -1 0 515.780 6.201 40 10 KKCBRM CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409055406 1071927387 /nfs/dbraw/zinc/92/73/87/1071927387.db2.gz INRFWXSANJYKMN-OVCLIPMQSA-N -1 0 556.638 5.629 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)c1 ZINC000409056368 1071922598 /nfs/dbraw/zinc/92/25/98/1071922598.db2.gz LSLPFKNOCHAUQZ-VUTHCHCSSA-N -1 0 561.594 5.258 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409055374 1071928964 /nfs/dbraw/zinc/92/89/64/1071928964.db2.gz IEBLDOAVQGXWNA-QGMBQPNBSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409050133 1071960632 /nfs/dbraw/zinc/96/06/32/1071960632.db2.gz ZFCDNVAHTFGQBH-VCHYOVAHSA-N -1 0 653.096 6.359 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409050158 1071958964 /nfs/dbraw/zinc/95/89/64/1071958964.db2.gz ZPYNEMLWVGDHTI-OQLLNIDSSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409049979 1071961683 /nfs/dbraw/zinc/96/16/83/1071961683.db2.gz ZEDKRVDANRBVKQ-VXLYETTFSA-N -1 0 517.752 5.598 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1Cl ZINC000409049702 1071961759 /nfs/dbraw/zinc/96/17/59/1071961759.db2.gz XVYNTSDKBSZCSY-FSJBWODESA-N -1 0 565.840 7.354 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409049096 1071967856 /nfs/dbraw/zinc/96/78/56/1071967856.db2.gz WESSYTGSVMWNER-MFKUBSTISA-N -1 0 662.334 7.036 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1 ZINC000409048810 1071969415 /nfs/dbraw/zinc/96/94/15/1071969415.db2.gz UDFCUOPEGMGTNG-YBFXNURJSA-N -1 0 559.789 5.679 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409048571 1071969889 /nfs/dbraw/zinc/96/98/89/1071969889.db2.gz SCARMZOPVWUHQB-QGMBQPNBSA-N -1 0 670.097 6.672 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1C ZINC000409048140 1071973785 /nfs/dbraw/zinc/97/37/85/1071973785.db2.gz QKWDTNGNBJFRSM-SRZZPIQSSA-N -1 0 663.160 6.836 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409048089 1071975702 /nfs/dbraw/zinc/97/57/02/1071975702.db2.gz REWRDSUSDPNHHJ-AFUMVMLFSA-N -1 0 618.429 6.726 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000409047590 1071979182 /nfs/dbraw/zinc/97/91/82/1071979182.db2.gz OTWPQNLNRPOVSW-DJKKODMXSA-N -1 0 655.126 6.772 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409058110 1071989089 /nfs/dbraw/zinc/98/90/89/1071989089.db2.gz RGVYYTGYPSYJRV-LZYBPNLTSA-N -1 0 570.643 7.199 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064639 1072013759 /nfs/dbraw/zinc/01/37/59/1072013759.db2.gz DTNFANOZCQTPQY-GZTJUZNOSA-N -1 0 687.295 5.431 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409063687 1072020740 /nfs/dbraw/zinc/02/07/40/1072020740.db2.gz DQHAOSRBOIYMMP-MHWRWJLKSA-N -1 0 675.138 5.953 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409060254 1072034932 /nfs/dbraw/zinc/03/49/32/1072034932.db2.gz YTRIIZDAYKTRCZ-KEBDBYFISA-N -1 0 612.864 5.412 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409060178 1072036410 /nfs/dbraw/zinc/03/64/10/1072036410.db2.gz YBTTXQBQRMKXDW-SRZZPIQSSA-N -1 0 673.891 5.644 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076772 1072046947 /nfs/dbraw/zinc/04/69/47/1072046947.db2.gz BUQMYJRMRZMZEF-FRKPEAEDSA-N -1 0 677.174 5.395 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076706 1072049867 /nfs/dbraw/zinc/04/98/67/1072049867.db2.gz BWAHZXMASLSXBZ-CAOOACKPSA-N -1 0 665.331 6.142 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409076289 1072051729 /nfs/dbraw/zinc/05/17/29/1072051729.db2.gz AHGUJGYPUXAUNN-JGVLGKFESA-N -1 0 578.506 5.505 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409075499 1072060754 /nfs/dbraw/zinc/06/07/54/1072060754.db2.gz WKJWUHKTVGAUFR-PCLIKHOPSA-N -1 0 663.502 5.471 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075102 1072064449 /nfs/dbraw/zinc/06/44/49/1072064449.db2.gz UJUOIHYHKOTKIW-MFKUBSTISA-N -1 0 697.947 6.124 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409074911 1072065650 /nfs/dbraw/zinc/06/56/50/1072065650.db2.gz OBEIBDCQUXCVGA-HZHRSRAPSA-N -1 0 578.427 6.785 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1C ZINC000409074147 1072069997 /nfs/dbraw/zinc/06/99/97/1072069997.db2.gz KMIONONVINHRDS-YBFXNURJSA-N -1 0 545.400 5.044 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409073507 1072073718 /nfs/dbraw/zinc/07/37/18/1072073718.db2.gz PXNLVVKYKPPXSM-RQZCQDPDSA-N -1 0 656.692 5.005 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072298 1072084443 /nfs/dbraw/zinc/08/44/43/1072084443.db2.gz BPGYHPOJPRMLTE-RGVLZGJSSA-N -1 0 619.877 5.162 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409072308 1072084490 /nfs/dbraw/zinc/08/44/90/1072084490.db2.gz BQZWVLHMQPWTQS-BWAHOGKJSA-N -1 0 657.351 8.547 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409072193 1072083475 /nfs/dbraw/zinc/08/34/75/1072083475.db2.gz JCEWLXMOFVCGJM-DHDCSXOGSA-N -1 0 523.203 6.374 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C1=O ZINC000409072150 1072085404 /nfs/dbraw/zinc/08/54/04/1072085404.db2.gz LXIQWRMQLDXZEL-RQZCQDPDSA-N -1 0 654.720 5.608 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409071295 1072090927 /nfs/dbraw/zinc/09/09/27/1072090927.db2.gz QKJWZHJULSZJSO-CAOOACKPSA-N -1 0 586.236 5.734 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409071739 1072088229 /nfs/dbraw/zinc/08/82/29/1072088229.db2.gz LDFINMBJPRICJQ-OQLLNIDSSA-N -1 0 586.236 5.734 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1 ZINC000409071498 1072088652 /nfs/dbraw/zinc/08/86/52/1072088652.db2.gz PBCCGOOAJIQZOY-XDHOZWIPSA-N -1 0 650.301 5.044 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409070838 1072093259 /nfs/dbraw/zinc/09/32/59/1072093259.db2.gz MEYFIJZASNIMOT-CXUHLZMHSA-N -1 0 586.236 5.734 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409070390 1072096086 /nfs/dbraw/zinc/09/60/86/1072096086.db2.gz ZBLZAQVMNJLSSU-VCHYOVAHSA-N -1 0 640.693 5.299 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409070068 1072098103 /nfs/dbraw/zinc/09/81/03/1072098103.db2.gz MWTHVWGZVDAFIQ-RQZCQDPDSA-N -1 0 630.687 5.843 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409069087 1072106795 /nfs/dbraw/zinc/10/67/95/1072106795.db2.gz CACVVEKJIJZGBF-VIZOYTHASA-N -1 0 620.681 6.388 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079124 1072138177 /nfs/dbraw/zinc/13/81/77/1072138177.db2.gz JZBFJHXLBWCRNN-MKMNVTDBSA-N -1 0 630.746 7.041 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078385 1072145755 /nfs/dbraw/zinc/14/57/55/1072145755.db2.gz CAOPMCWKAJAMHG-LZYBPNLTSA-N -1 0 573.301 5.277 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409077765 1072151598 /nfs/dbraw/zinc/15/15/98/1072151598.db2.gz AAISYOLNVYADAQ-RQZCQDPDSA-N -1 0 676.230 5.885 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409077815 1072152002 /nfs/dbraw/zinc/15/20/02/1072152002.db2.gz GWNATDSCKFHVNY-LICLKQGHSA-N -1 0 606.307 5.843 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409087127 1072158718 /nfs/dbraw/zinc/15/87/18/1072158718.db2.gz ARSUYJVVRDDITA-LZYBPNLTSA-N -1 0 621.278 5.743 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086453 1072167473 /nfs/dbraw/zinc/16/74/73/1072167473.db2.gz DTEJNVUQKPCSGP-LICLKQGHSA-N -1 0 549.820 5.865 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409085509 1072176618 /nfs/dbraw/zinc/17/66/18/1072176618.db2.gz ZPUWCMRARRIFED-FRKPEAEDSA-N -1 0 617.752 5.386 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084815 1072185323 /nfs/dbraw/zinc/18/53/23/1072185323.db2.gz QPATUKDFAUSNBI-ZVHZXABRSA-N -1 0 703.458 6.702 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084599 1072185947 /nfs/dbraw/zinc/18/59/47/1072185947.db2.gz YFIIQQWTUQIYTE-LICLKQGHSA-N -1 0 632.177 5.487 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084364 1072190185 /nfs/dbraw/zinc/19/01/85/1072190185.db2.gz XTBAHORGFPUUPS-LZYBPNLTSA-N -1 0 624.297 5.983 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084426 1072190799 /nfs/dbraw/zinc/19/07/99/1072190799.db2.gz BPKGTUVVXQZXJO-XIHDXPBISA-N -1 0 694.604 5.074 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084233 1072192408 /nfs/dbraw/zinc/19/24/08/1072192408.db2.gz ANXJUMMCQOKVLR-CAOOACKPSA-N -1 0 587.328 5.667 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409083538 1072200049 /nfs/dbraw/zinc/20/00/49/1072200049.db2.gz VGCGDFUFDJEXJA-NTEUORMPSA-N -1 0 587.726 5.378 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409083767 1072196542 /nfs/dbraw/zinc/19/65/42/1072196542.db2.gz VZPNOZQGSYVNTD-LZYBPNLTSA-N -1 0 662.203 5.495 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083807 1072197052 /nfs/dbraw/zinc/19/70/52/1072197052.db2.gz LOMIXOPIIMTPGJ-LZYBPNLTSA-N -1 0 577.855 5.440 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083075 1072204828 /nfs/dbraw/zinc/20/48/28/1072204828.db2.gz UTQUQOIGBDBXPJ-CAOOACKPSA-N -1 0 631.779 5.776 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082437 1072210918 /nfs/dbraw/zinc/21/09/18/1072210918.db2.gz MBLXRMLRFPUXJU-LZYBPNLTSA-N -1 0 669.306 5.391 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409082523 1072211916 /nfs/dbraw/zinc/21/19/16/1072211916.db2.gz QCYWSUJFGGJUJQ-OEAKJJBVSA-N -1 0 659.405 6.303 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081753 1072219935 /nfs/dbraw/zinc/21/99/35/1072219935.db2.gz QMVJIIYFSAYREU-BUVRLJJBSA-N -1 0 637.954 7.305 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409081567 1072221309 /nfs/dbraw/zinc/22/13/09/1072221309.db2.gz QBGAJHMTBSTILB-XDHOZWIPSA-N -1 0 571.464 5.480 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081625 1072221665 /nfs/dbraw/zinc/22/16/65/1072221665.db2.gz QNQVCYWLKVDEPO-RQZCQDPDSA-N -1 0 615.324 5.262 40 10 KKCBRM O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c(Br)c3)SC2=S)c1 ZINC000409097070 1072230581 /nfs/dbraw/zinc/23/05/81/1072230581.db2.gz MIXQQIXLXIQQNY-VXLYETTFSA-N -1 0 608.308 6.714 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000409096845 1072232402 /nfs/dbraw/zinc/23/24/02/1072232402.db2.gz LHUYRLVRYXBSGQ-UVTDQMKNSA-N -1 0 502.335 5.301 40 10 KKCBRM Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409095819 1072238650 /nfs/dbraw/zinc/23/86/50/1072238650.db2.gz ILIBMXOPLSZVLG-ZMOGYAJESA-N -1 0 553.492 7.409 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409093447 1072252707 /nfs/dbraw/zinc/25/27/07/1072252707.db2.gz ZIINZJGFIORXGI-RQZCQDPDSA-N -1 0 662.324 5.104 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092687 1072260211 /nfs/dbraw/zinc/26/02/11/1072260211.db2.gz WBXUBKXMJIZDRO-LZYBPNLTSA-N -1 0 689.622 7.251 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409092438 1072263185 /nfs/dbraw/zinc/26/31/85/1072263185.db2.gz YETOFSPYZLFYRU-ZVBGSRNCSA-N -1 0 625.349 7.448 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409091910 1072266102 /nfs/dbraw/zinc/26/61/02/1072266102.db2.gz VQCOUUBFYJCTSS-KMHUVPDISA-N -1 0 537.863 5.428 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091242 1072273274 /nfs/dbraw/zinc/27/32/74/1072273274.db2.gz RZLOTWVEQQXPPZ-RQZCQDPDSA-N -1 0 593.873 6.264 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409091709 1072269640 /nfs/dbraw/zinc/26/96/40/1072269640.db2.gz TYBXBRMOGCUQHL-YDZHTSKRSA-N -1 0 570.486 6.531 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409090891 1072275589 /nfs/dbraw/zinc/27/55/89/1072275589.db2.gz RDJSDUQEGLZXAO-CPNJWEJPSA-N -1 0 541.438 5.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090727 1072280178 /nfs/dbraw/zinc/28/01/78/1072280178.db2.gz NZSHKXAGMQTXFE-LZYBPNLTSA-N -1 0 577.720 5.922 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409090437 1072280183 /nfs/dbraw/zinc/28/01/83/1072280183.db2.gz QROHBEJWKCHKLQ-LSHDLFTRSA-N -1 0 639.376 7.838 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409090168 1072282562 /nfs/dbraw/zinc/28/25/62/1072282562.db2.gz LVGOUVRNZYRHOG-RQZCQDPDSA-N -1 0 624.753 6.797 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409089786 1072286619 /nfs/dbraw/zinc/28/66/19/1072286619.db2.gz KAVIPZMOBZJPAQ-VGOFMYFVSA-N -1 0 577.720 5.922 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089520 1072289371 /nfs/dbraw/zinc/28/93/71/1072289371.db2.gz MTWUJXRZGSQQNI-OVCLIPMQSA-N -1 0 610.328 6.696 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089098 1072293637 /nfs/dbraw/zinc/29/36/37/1072293637.db2.gz LUTCUQGTYYNWGF-OQLLNIDSSA-N -1 0 543.275 5.269 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087966 1072302010 /nfs/dbraw/zinc/30/20/10/1072302010.db2.gz DEZYCFDTJCGANI-LZYBPNLTSA-N -1 0 645.171 7.142 40 10 KKCBRM Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)cc1 ZINC000409101277 1072315393 /nfs/dbraw/zinc/31/53/93/1072315393.db2.gz AXEAZHJDYPEOPP-HYARGMPZSA-N -1 0 500.023 5.791 40 10 KKCBRM CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000409099880 1072323475 /nfs/dbraw/zinc/32/34/75/1072323475.db2.gz MMJWXEVAZXMANX-XDHOZWIPSA-N -1 0 511.365 5.026 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409099771 1072325039 /nfs/dbraw/zinc/32/50/39/1072325039.db2.gz LMDNZUBHAWDRTO-DEDYPNTBSA-N -1 0 513.800 5.920 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)c1 ZINC000409099972 1072322525 /nfs/dbraw/zinc/32/25/25/1072322525.db2.gz SGMPTHIPARESNX-YDZHTSKRSA-N -1 0 505.020 6.447 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)[N-]C1=S ZINC000409099068 1072327193 /nfs/dbraw/zinc/32/71/93/1072327193.db2.gz PWXUBEGNAJEDQY-DEDYPNTBSA-N -1 0 520.441 6.136 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409097398 1072338354 /nfs/dbraw/zinc/33/83/54/1072338354.db2.gz NECPMKYURKXHPG-JVWAILMASA-N -1 0 646.563 6.284 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000409105150 1072352061 /nfs/dbraw/zinc/35/20/61/1072352061.db2.gz GTVUZRPZVVJRQC-XDHOZWIPSA-N -1 0 535.343 5.571 40 10 KKCBRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409103961 1072357775 /nfs/dbraw/zinc/35/77/75/1072357775.db2.gz ZXRUDPYOZVFCPN-UFKHLRDRSA-N -1 0 648.785 5.371 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409103979 1072357936 /nfs/dbraw/zinc/35/79/36/1072357936.db2.gz XSKNJKUYQNBVLB-OQLLNIDSSA-N -1 0 523.203 6.374 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)o1 ZINC000409330359 1072377311 /nfs/dbraw/zinc/37/73/11/1072377311.db2.gz KXYWSXGIDIZUKX-QRVIBDJDSA-N -1 0 504.564 5.752 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)ccc1Cl ZINC000409330309 1072379488 /nfs/dbraw/zinc/37/94/88/1072379488.db2.gz KQCONENOMMUIMV-VXLYETTFSA-N -1 0 561.797 5.736 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000409327750 1072398257 /nfs/dbraw/zinc/39/82/57/1072398257.db2.gz MJGDPPJNPGRHGG-VCHYOVAHSA-N -1 0 519.387 5.498 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409107973 1072410019 /nfs/dbraw/zinc/41/00/19/1072410019.db2.gz UQLTVSLZHVPELD-RRAHZORUSA-N -1 0 585.685 6.660 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409107427 1072414224 /nfs/dbraw/zinc/41/42/24/1072414224.db2.gz PNYBSSHCBJGROV-HZHRSRAPSA-N -1 0 500.023 6.040 40 10 KKCBRM Cc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409343202 1072442400 /nfs/dbraw/zinc/44/24/00/1072442400.db2.gz CYMLLHCUIHQUEM-FOKLQQMPSA-N -1 0 535.691 5.241 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409127277 1072447152 /nfs/dbraw/zinc/44/71/52/1072447152.db2.gz QLDJKDQCRRJICI-CPNJWEJPSA-N -1 0 508.441 5.305 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409125764 1072458477 /nfs/dbraw/zinc/45/84/77/1072458477.db2.gz KIGPKTXHQDJQDJ-WSDLNYQXSA-N -1 0 654.470 5.404 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S)c1cccs1 ZINC000409340261 1072467445 /nfs/dbraw/zinc/46/74/45/1072467445.db2.gz SYFZOHVKVRUSQR-VXLYETTFSA-N -1 0 521.472 6.180 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409123955 1072469715 /nfs/dbraw/zinc/46/97/15/1072469715.db2.gz GDISOBORNGAGEO-PXLXIMEGSA-N -1 0 619.479 5.221 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409127327 1072472518 /nfs/dbraw/zinc/47/25/18/1072472518.db2.gz QPMVABZGSSJFED-SSDVNMTOSA-N -1 0 739.390 7.035 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409136956 1072475268 /nfs/dbraw/zinc/47/52/68/1072475268.db2.gz ZFWIUQJBECZTCB-OEAKJJBVSA-N -1 0 543.048 5.382 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409338860 1072481387 /nfs/dbraw/zinc/48/13/87/1072481387.db2.gz PQODJPCLVSFEFI-YBFXNURJSA-N -1 0 595.949 6.298 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S)c1cccs1 ZINC000409338755 1072483051 /nfs/dbraw/zinc/48/30/51/1072483051.db2.gz AGTLVZQSYABHMM-VCHYOVAHSA-N -1 0 628.364 6.537 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409132873 1072502533 /nfs/dbraw/zinc/50/25/33/1072502533.db2.gz MBAHDADVAJLBFP-WSDLNYQXSA-N -1 0 672.370 6.558 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409130536 1072514752 /nfs/dbraw/zinc/51/47/52/1072514752.db2.gz WGOAGOFRANYWGR-LPYMAVHISA-N -1 0 613.494 6.431 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409127520 1072530175 /nfs/dbraw/zinc/53/01/75/1072530175.db2.gz NJVJXSUCEZLQMY-LPYMAVHISA-N -1 0 656.473 5.338 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409352196 1072530390 /nfs/dbraw/zinc/53/03/90/1072530390.db2.gz WVHMKUXRVQKHDD-YBFXNURJSA-N -1 0 565.923 6.289 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409127579 1072530682 /nfs/dbraw/zinc/53/06/82/1072530682.db2.gz OBWFNSSACRRVGY-BUVRLJJBSA-N -1 0 579.049 5.777 40 10 KKCBRM COc1cccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409349215 1072551138 /nfs/dbraw/zinc/55/11/38/1072551138.db2.gz UXVLIJUUBYUPOD-VXLYETTFSA-N -1 0 551.498 6.189 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409140341 1072560622 /nfs/dbraw/zinc/56/06/22/1072560622.db2.gz DALYOXSQANJKLS-HZHRSRAPSA-N -1 0 579.049 5.777 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409139105 1072566684 /nfs/dbraw/zinc/56/66/84/1072566684.db2.gz MOMPNPHZCKYZTO-HZHRSRAPSA-N -1 0 552.986 5.518 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138983 1072567601 /nfs/dbraw/zinc/56/76/01/1072567601.db2.gz KTDIRVAGOBSBLG-LPYMAVHISA-N -1 0 707.983 5.728 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409365651 1072577618 /nfs/dbraw/zinc/57/76/18/1072577618.db2.gz VMPWDZZJIOPKCM-VXLYETTFSA-N -1 0 542.350 5.125 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)cc1OC ZINC000409365744 1072577710 /nfs/dbraw/zinc/57/77/10/1072577710.db2.gz WTZIMHJUGWRNAY-BKUYFWCQSA-N -1 0 626.435 5.070 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409365269 1072579821 /nfs/dbraw/zinc/57/98/21/1072579821.db2.gz UBGUPFRKPPJJGQ-NVMNQCDNSA-N -1 0 606.821 5.869 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364522 1072583594 /nfs/dbraw/zinc/58/35/94/1072583594.db2.gz PYLPYJIUOVPOAE-IUXPMGMMSA-N -1 0 592.794 5.478 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000409145743 1072586024 /nfs/dbraw/zinc/58/60/24/1072586024.db2.gz RIVHUXVLEAIQSS-HZHRSRAPSA-N -1 0 534.996 5.378 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409363250 1072591214 /nfs/dbraw/zinc/59/12/14/1072591214.db2.gz KSNBYBNFSMSWEF-DJKKODMXSA-N -1 0 663.827 5.085 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409361311 1072601278 /nfs/dbraw/zinc/60/12/78/1072601278.db2.gz CGJZNBPGWLKMTA-WQRHYEAKSA-N -1 0 542.350 5.125 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)c1 ZINC000409153034 1072614710 /nfs/dbraw/zinc/61/47/10/1072614710.db2.gz HDVQWYSWGXLUAV-GRSHGNNSSA-N -1 0 500.891 5.112 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409376648 1072627987 /nfs/dbraw/zinc/62/79/87/1072627987.db2.gz CEWRCDJRYJTDJZ-OEAKJJBVSA-N -1 0 622.541 5.567 40 10 KKCBRM CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)SC1=S ZINC000409376526 1072628962 /nfs/dbraw/zinc/62/89/62/1072628962.db2.gz YUTMMJYITHOSSL-SXGWCWSVSA-N -1 0 557.285 5.710 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000409375069 1072633918 /nfs/dbraw/zinc/63/39/18/1072633918.db2.gz FDESHRHWJWBDDL-OEAKJJBVSA-N -1 0 579.516 6.129 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409375097 1072634297 /nfs/dbraw/zinc/63/42/97/1072634297.db2.gz FNHYTTKNFOTPAD-HZHRSRAPSA-N -1 0 608.047 5.220 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409374005 1072639815 /nfs/dbraw/zinc/63/98/15/1072639815.db2.gz XNTFTSNJKPFRPC-CVKSISIWSA-N -1 0 529.980 5.582 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409370785 1072651834 /nfs/dbraw/zinc/65/18/34/1072651834.db2.gz UFLQYBAHYHVCOO-UCQKPKSFSA-N -1 0 682.524 5.338 40 10 KKCBRM O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)SC1=S ZINC000409369376 1072659155 /nfs/dbraw/zinc/65/91/55/1072659155.db2.gz LKDVKMHTQHRNDP-WLRTZDKTSA-N -1 0 692.125 5.846 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000409164398 1072660079 /nfs/dbraw/zinc/66/00/79/1072660079.db2.gz HZFXAMYFJQPZIW-DYLHXGEVSA-N -1 0 554.868 7.523 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409163902 1072661742 /nfs/dbraw/zinc/66/17/42/1072661742.db2.gz ZHPDMILJERZHCC-XWXLMPLOSA-N -1 0 589.313 8.177 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409379284 1072671101 /nfs/dbraw/zinc/67/11/01/1072671101.db2.gz WOCILEWKXXYBGA-LPYMAVHISA-N -1 0 521.038 5.630 40 10 KKCBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000409378959 1072672017 /nfs/dbraw/zinc/67/20/17/1072672017.db2.gz SVFQZHSPTSYNIQ-WFSQQTBHSA-N -1 0 537.863 5.428 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409378789 1072672706 /nfs/dbraw/zinc/67/27/06/1072672706.db2.gz RWMZRXIQHDCPBM-BKUYFWCQSA-N -1 0 622.472 5.157 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000409378013 1072678494 /nfs/dbraw/zinc/67/84/94/1072678494.db2.gz MNUPPCGZJQJZJZ-OEAKJJBVSA-N -1 0 579.516 6.129 40 10 KKCBRM COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409387010 1072682963 /nfs/dbraw/zinc/68/29/63/1072682963.db2.gz YQUIFQMCEPSXCB-UHFFFAOYSA-N -1 0 554.580 5.314 40 10 KKCBRM CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)c1 ZINC000409159850 1072686054 /nfs/dbraw/zinc/68/60/54/1072686054.db2.gz VIGJNHNNBQQRID-MTJSOVHGSA-N -1 0 508.577 5.350 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409386313 1072687538 /nfs/dbraw/zinc/68/75/38/1072687538.db2.gz MLJNSCHENIWODW-VCHYOVAHSA-N -1 0 572.376 5.215 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409384684 1072697033 /nfs/dbraw/zinc/69/70/33/1072697033.db2.gz FDQQEFZJUITFDM-CIAFOILYSA-N -1 0 628.863 5.194 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409384225 1072699803 /nfs/dbraw/zinc/69/98/03/1072699803.db2.gz CIEIIYCWNLOHCF-MTDXEUNCSA-N -1 0 515.638 6.237 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409382962 1072704648 /nfs/dbraw/zinc/70/46/48/1072704648.db2.gz YXMBHOOOMNRIEQ-LPYMAVHISA-N -1 0 565.489 5.739 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)C1=O ZINC000409382827 1072705537 /nfs/dbraw/zinc/70/55/37/1072705537.db2.gz RMMIPJBFJFXPAH-ATVHPVEESA-N -1 0 542.350 5.125 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409382810 1072705598 /nfs/dbraw/zinc/70/55/98/1072705598.db2.gz RFEMVQRMVLDQFT-CIAFOILYSA-N -1 0 630.358 6.193 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409382571 1072706993 /nfs/dbraw/zinc/70/69/93/1072706993.db2.gz OZGYWUCKJVCGRB-YBEGLDIGSA-N -1 0 572.376 5.133 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409382050 1072708397 /nfs/dbraw/zinc/70/83/97/1072708397.db2.gz XMUQPIOJDYHLQI-RGVLZGJSSA-N -1 0 598.837 5.103 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409381478 1072711330 /nfs/dbraw/zinc/71/13/30/1072711330.db2.gz UOROSJIHVAOKOG-WQRHYEAKSA-N -1 0 572.376 5.215 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381483 1072711420 /nfs/dbraw/zinc/71/14/20/1072711420.db2.gz UPJYXEUIIXTIRY-MFKUBSTISA-N -1 0 601.522 6.584 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000409381350 1072712207 /nfs/dbraw/zinc/71/22/07/1072712207.db2.gz FNEMXOZXLCVZNI-HYARGMPZSA-N -1 0 555.881 6.075 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000409381244 1072713663 /nfs/dbraw/zinc/71/36/63/1072713663.db2.gz FSFQQBKBPMDWOG-HYARGMPZSA-N -1 0 534.037 5.060 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409380865 1072715041 /nfs/dbraw/zinc/71/50/41/1072715041.db2.gz BJOYZJUXNRVOAX-HZHRSRAPSA-N -1 0 612.489 5.663 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)cc1 ZINC000409380029 1072720158 /nfs/dbraw/zinc/72/01/58/1072720158.db2.gz GCJBQYXPVUUHCE-YUMHPJSZSA-N -1 0 686.515 5.729 40 10 KKCBRM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)ccc1Cl ZINC000409174170 1072723493 /nfs/dbraw/zinc/72/34/93/1072723493.db2.gz LSZJMMANWCZLFR-QRVIBDJDSA-N -1 0 583.018 5.848 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409392395 1072726244 /nfs/dbraw/zinc/72/62/44/1072726244.db2.gz LZSGUZFJZHZFLY-PCLIKHOPSA-N -1 0 526.980 5.388 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409388344 1072738488 /nfs/dbraw/zinc/73/84/88/1072738488.db2.gz UDDYXSWIGLZRJQ-GRSHGNNSSA-N -1 0 663.308 5.847 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(C)cc1 ZINC000409400573 1072745032 /nfs/dbraw/zinc/74/50/32/1072745032.db2.gz UIUBSPRHDSQVKQ-UNOMPAQXSA-N -1 0 572.253 5.569 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409400226 1072747186 /nfs/dbraw/zinc/74/71/86/1072747186.db2.gz QQFUMLSHYMBAPC-WQRHYEAKSA-N -1 0 528.200 5.252 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc2ccccc21 ZINC000409399778 1072748268 /nfs/dbraw/zinc/74/82/68/1072748268.db2.gz MFGYWWHZWKHYQO-UCQKPKSFSA-N -1 0 544.361 5.551 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1Cl ZINC000409399689 1072748614 /nfs/dbraw/zinc/74/86/14/1072748614.db2.gz LVDDDUNBKXPEFE-BOPFTXTBSA-N -1 0 548.220 5.805 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409399644 1072749061 /nfs/dbraw/zinc/74/90/61/1072749061.db2.gz LDKGODRHNSCXKX-MOSHPQCFSA-N -1 0 629.305 5.398 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409399446 1072749637 /nfs/dbraw/zinc/74/96/37/1072749637.db2.gz IRMNTOMRGPNVKJ-ZDLGFXPLSA-N -1 0 573.197 5.160 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000409398834 1072751176 /nfs/dbraw/zinc/75/11/76/1072751176.db2.gz DFQDFBUZURHBNP-PXNMLYILSA-N -1 0 597.090 6.559 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(C)c1 ZINC000409398503 1072751956 /nfs/dbraw/zinc/75/19/56/1072751956.db2.gz BMQXUSMIGKYSPF-UNOMPAQXSA-N -1 0 572.253 5.569 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2Br)c(Cl)c1 ZINC000409398544 1072752350 /nfs/dbraw/zinc/75/23/50/1072752350.db2.gz BZCBAUGAJKPRCU-IUXPMGMMSA-N -1 0 597.090 6.559 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409406469 1072758343 /nfs/dbraw/zinc/75/83/43/1072758343.db2.gz KAORLZDVGHKBCL-MFOYZWKCSA-N -1 0 548.220 5.805 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)c1 ZINC000409186736 1072761730 /nfs/dbraw/zinc/76/17/30/1072761730.db2.gz HEPTYVZNOAHBSM-CIAFOILYSA-N -1 0 586.305 5.930 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000409403719 1072770205 /nfs/dbraw/zinc/77/02/05/1072770205.db2.gz ATEKSXABFBHOBK-NDENLUEZSA-N -1 0 572.253 5.651 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184812 1072774460 /nfs/dbraw/zinc/77/44/60/1072774460.db2.gz HXRHDSIKOYKPJM-DGWBYFALSA-N -1 0 820.762 8.518 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409401448 1072781194 /nfs/dbraw/zinc/78/11/94/1072781194.db2.gz YOKLPHNUNIRSKA-ZDLGFXPLSA-N -1 0 573.197 5.160 40 10 KKCBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409409786 1072807971 /nfs/dbraw/zinc/80/79/71/1072807971.db2.gz XBHWPNZVJXSSFN-GRSHGNNSSA-N -1 0 503.769 5.696 40 10 KKCBRM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409409506 1072809887 /nfs/dbraw/zinc/80/98/87/1072809887.db2.gz VVAMDFFIKPHAAP-XDHOZWIPSA-N -1 0 558.226 5.261 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1Br ZINC000409407576 1072820232 /nfs/dbraw/zinc/82/02/32/1072820232.db2.gz MUCYETRLOLXZHE-GRSHGNNSSA-N -1 0 651.149 6.413 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCC)ccc4ccccc43)C2=O)cc1OCC ZINC000409192380 1072825813 /nfs/dbraw/zinc/82/58/13/1072825813.db2.gz BXBFVCUYSALZTP-HAVVHWLPSA-N -1 0 502.567 5.088 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409195492 1072836834 /nfs/dbraw/zinc/83/68/34/1072836834.db2.gz PZGOITLCGXLRRH-JJIBRWJFSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000409195132 1072838135 /nfs/dbraw/zinc/83/81/35/1072838135.db2.gz RLQGHNRPJCOWIF-ZVHZXABRSA-N -1 0 583.468 6.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194541 1072841573 /nfs/dbraw/zinc/84/15/73/1072841573.db2.gz OXEHHMQNWBOKHQ-PCLIKHOPSA-N -1 0 603.628 5.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409194229 1072845994 /nfs/dbraw/zinc/84/59/94/1072845994.db2.gz PJVUBLJXZBSSQJ-UFFVCSGVSA-N -1 0 741.260 7.947 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409193811 1072846982 /nfs/dbraw/zinc/84/69/82/1072846982.db2.gz MTKLJCVYGALYKA-OEAKJJBVSA-N -1 0 690.360 6.779 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409193757 1072848909 /nfs/dbraw/zinc/84/89/09/1072848909.db2.gz LLRKRJFZLSKSOM-LFVJCYFKSA-N -1 0 627.919 6.531 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192764 1072854645 /nfs/dbraw/zinc/85/46/45/1072854645.db2.gz ASKZKOADHQGZDY-OEAKJJBVSA-N -1 0 672.370 6.640 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409192206 1072855485 /nfs/dbraw/zinc/85/54/85/1072855485.db2.gz BJMKGQINNMCNRI-JJIBRWJFSA-N -1 0 549.023 5.769 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191769 1072859080 /nfs/dbraw/zinc/85/90/80/1072859080.db2.gz MUVMYAGLBDOAOE-YDZHTSKRSA-N -1 0 613.494 6.431 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409191303 1072864056 /nfs/dbraw/zinc/86/40/56/1072864056.db2.gz UYVXSHAXBLBCFG-OEAKJJBVSA-N -1 0 617.913 7.075 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409191083 1072864536 /nfs/dbraw/zinc/86/45/36/1072864536.db2.gz ZOEIVDBBJAQRQF-LPYMAVHISA-N -1 0 613.494 6.431 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OCC ZINC000409190928 1072865893 /nfs/dbraw/zinc/86/58/93/1072865893.db2.gz BNRXZAQGDKHNMC-CIAFOILYSA-N -1 0 601.458 6.561 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1OCC ZINC000409190908 1072866008 /nfs/dbraw/zinc/86/60/08/1072866008.db2.gz BEOFDFAFHYRMQJ-LFVJCYFKSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409190935 1072866341 /nfs/dbraw/zinc/86/63/41/1072866341.db2.gz BUDRNJXBEYRUBB-OEAKJJBVSA-N -1 0 623.500 5.886 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409190933 1072866554 /nfs/dbraw/zinc/86/65/54/1072866554.db2.gz BSWXOCRSYIHPKT-KOEQRZSOSA-N -1 0 563.050 6.077 40 10 KKCBRM CCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O ZINC000409190209 1072871455 /nfs/dbraw/zinc/87/14/55/1072871455.db2.gz PWGGHQDJEBPZTD-HMMYKYKNSA-N -1 0 545.430 5.087 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189579 1072875002 /nfs/dbraw/zinc/87/50/02/1072875002.db2.gz QSNRUWXWYTYEKN-BUVRLJJBSA-N -1 0 589.601 5.032 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188610 1072881445 /nfs/dbraw/zinc/88/14/45/1072881445.db2.gz FMRKIMHDHPAWLU-ZVHZXABRSA-N -1 0 729.524 6.027 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409188300 1072882474 /nfs/dbraw/zinc/88/24/74/1072882474.db2.gz FZCRKISBOWGWNG-LFVJCYFKSA-N -1 0 567.013 5.908 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1OCC ZINC000409188448 1072882681 /nfs/dbraw/zinc/88/26/81/1072882681.db2.gz HPGCFWLRWXWAIH-OYKKKHCWSA-N -1 0 583.468 6.422 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)c(C)c1 ZINC000409187938 1072885376 /nfs/dbraw/zinc/88/53/76/1072885376.db2.gz VVNNVKUYIAJDOU-CIAFOILYSA-N -1 0 600.332 6.239 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409187668 1072886228 /nfs/dbraw/zinc/88/62/28/1072886228.db2.gz AMCVGZBRRFZNMQ-YDZHTSKRSA-N -1 0 688.490 5.867 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409206035 1072894908 /nfs/dbraw/zinc/89/49/08/1072894908.db2.gz GZHLTTIXMKKGEN-VIZOYTHASA-N -1 0 529.231 5.081 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000409201846 1072915373 /nfs/dbraw/zinc/91/53/73/1072915373.db2.gz QKRNOVNCEFNHIW-CIAFOILYSA-N -1 0 521.664 5.007 40 10 KKCBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1Cl ZINC000409198995 1072926968 /nfs/dbraw/zinc/92/69/68/1072926968.db2.gz GNDUYNXNAVKKGP-ZDLGFXPLSA-N -1 0 520.813 6.467 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000409217278 1072943614 /nfs/dbraw/zinc/94/36/14/1072943614.db2.gz AXGBUYFZANPKJB-LFVJCYFKSA-N -1 0 592.048 5.520 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227219 1072971496 /nfs/dbraw/zinc/97/14/96/1072971496.db2.gz ULXDIPLKBFTCML-VXLYETTFSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000409226081 1072975536 /nfs/dbraw/zinc/97/55/36/1072975536.db2.gz RXRJXRQQIXIFQQ-VUTHCHCSSA-N -1 0 561.594 5.258 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409226067 1072976677 /nfs/dbraw/zinc/97/66/77/1072976677.db2.gz RTFTYLGDTBWPBW-JVWAILMASA-N -1 0 717.516 5.871 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409225560 1072977816 /nfs/dbraw/zinc/97/78/16/1072977816.db2.gz RBGUKQMVBGZWRZ-VXLYETTFSA-N -1 0 694.309 5.989 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409225213 1072979302 /nfs/dbraw/zinc/97/93/02/1072979302.db2.gz JXIKGNINTNVFTF-WSDLNYQXSA-N -1 0 582.991 5.784 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225337 1072979749 /nfs/dbraw/zinc/97/97/49/1072979749.db2.gz MXPDOGQTNBLQRY-SRZZPIQSSA-N -1 0 659.864 5.254 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409225047 1072981313 /nfs/dbraw/zinc/98/13/13/1072981313.db2.gz NEGDHGDPCYTYCY-LPYMAVHISA-N -1 0 686.943 5.983 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409224670 1072982441 /nfs/dbraw/zinc/98/24/41/1072982441.db2.gz LRWVHUQDRKASQJ-OEAKJJBVSA-N -1 0 700.970 6.373 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409223466 1072987185 /nfs/dbraw/zinc/98/71/85/1072987185.db2.gz HVCXKBFXUGBIOS-CIAFOILYSA-N -1 0 735.813 6.736 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223499 1072987344 /nfs/dbraw/zinc/98/73/44/1072987344.db2.gz HZVWCDAMOHGQKL-RGVLZGJSSA-N -1 0 616.827 5.324 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409223503 1072987945 /nfs/dbraw/zinc/98/79/45/1072987945.db2.gz ICXSADLBRONSPV-SRZZPIQSSA-N -1 0 673.891 5.644 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409222337 1072993808 /nfs/dbraw/zinc/99/38/08/1072993808.db2.gz BWMWLWZZWKHVRL-HYARGMPZSA-N -1 0 578.021 5.130 40 10 KKCBRM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)c1 ZINC000409221504 1072999192 /nfs/dbraw/zinc/99/91/92/1072999192.db2.gz REJDAKWMSSIEHG-YDZHTSKRSA-N -1 0 519.548 5.848 40 10 KKCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409220753 1073003472 /nfs/dbraw/zinc/00/34/72/1073003472.db2.gz FIDDKDWFZBKLHI-BPKVKKHESA-N -1 0 507.837 5.420 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409220336 1073005380 /nfs/dbraw/zinc/00/53/80/1073005380.db2.gz XDIBSXAZAKAGST-KEBDBYFISA-N -1 0 694.309 5.989 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000409218996 1073010611 /nfs/dbraw/zinc/01/06/11/1073010611.db2.gz MDFNYXJSRQZYCP-CIAFOILYSA-N -1 0 584.412 5.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409218804 1073011381 /nfs/dbraw/zinc/01/13/81/1073011381.db2.gz HFORXEJITZBDDT-SRZZPIQSSA-N -1 0 673.891 5.644 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1=O ZINC000409230062 1073016290 /nfs/dbraw/zinc/01/62/90/1073016290.db2.gz WRNCUSAPWAVDSP-OOAXWGSJSA-N -1 0 558.037 7.440 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C1=O ZINC000409229226 1073022798 /nfs/dbraw/zinc/02/27/98/1073022798.db2.gz LSSXMXJTCXYOLD-DIBXZPPDSA-N -1 0 592.482 8.093 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409228265 1073027615 /nfs/dbraw/zinc/02/76/15/1073027615.db2.gz WNSUAXWYGFPBPY-CVKSISIWSA-N -1 0 555.581 6.693 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)cc1 ZINC000409227620 1073031177 /nfs/dbraw/zinc/03/11/77/1073031177.db2.gz QWRUWUOYUYNRJU-HYARGMPZSA-N -1 0 526.980 5.217 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409227476 1073032193 /nfs/dbraw/zinc/03/21/93/1073032193.db2.gz YUQVHYFUUIPQIA-QGMBQPNBSA-N -1 0 682.152 6.511 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409237158 1073034580 /nfs/dbraw/zinc/03/45/80/1073034580.db2.gz JSGYEUYITPNVFM-VEILYXNESA-N -1 0 638.627 7.570 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O ZINC000409236008 1073040447 /nfs/dbraw/zinc/04/04/47/1073040447.db2.gz RCFVOAXTVCRUKL-FYJGNVAPSA-N -1 0 530.943 5.047 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1Cl ZINC000409235701 1073043837 /nfs/dbraw/zinc/04/38/37/1073043837.db2.gz PVORQHZRPCQGBF-VEILYXNESA-N -1 0 608.550 8.258 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409234788 1073048339 /nfs/dbraw/zinc/04/83/39/1073048339.db2.gz MMJBFNKFEKMRDZ-WPWMEQJKSA-N -1 0 515.638 6.291 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)o2)ccc1Cl ZINC000409234176 1073051418 /nfs/dbraw/zinc/05/14/18/1073051418.db2.gz MXXFIDRVYJTBET-GRSHGNNSSA-N -1 0 517.346 5.627 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409233685 1073053770 /nfs/dbraw/zinc/05/37/70/1073053770.db2.gz HIMJTJMVFTVYSL-BUVRLJJBSA-N -1 0 514.050 6.298 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O ZINC000409232239 1073061822 /nfs/dbraw/zinc/06/18/22/1073061822.db2.gz PHRAPSLIMSJEDP-OVVQPSECSA-N -1 0 570.045 6.392 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000409231564 1073064615 /nfs/dbraw/zinc/06/46/15/1073064615.db2.gz JXDIFQSVEWINQA-PCLIKHOPSA-N -1 0 519.988 6.471 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409230708 1073068798 /nfs/dbraw/zinc/06/87/98/1073068798.db2.gz FOMLQEJTIKJVQO-GIJQJNRQSA-N -1 0 566.374 5.846 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409230264 1073071449 /nfs/dbraw/zinc/07/14/49/1073071449.db2.gz BRFQMZQCBVGDKD-NDZAJKAJSA-N -1 0 549.696 6.628 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)c2-c2ccccc2)cc1 ZINC000409246366 1073076529 /nfs/dbraw/zinc/07/65/29/1073076529.db2.gz HJIWHUVYSDGOBN-ANYBSYGZSA-N -1 0 630.100 7.616 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409245682 1073082030 /nfs/dbraw/zinc/08/20/30/1073082030.db2.gz XMELSCLONWKFQF-JAIQZWGSSA-N -1 0 575.859 5.492 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409245584 1073083099 /nfs/dbraw/zinc/08/30/99/1073083099.db2.gz WDGXNCIYWXHGEV-LICLKQGHSA-N -1 0 538.378 6.251 40 10 KKCBRM O=C(Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000409245197 1073084573 /nfs/dbraw/zinc/08/45/73/1073084573.db2.gz OVWUPJURKYHRKX-LPYMAVHISA-N -1 0 548.546 5.130 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409244822 1073086962 /nfs/dbraw/zinc/08/69/62/1073086962.db2.gz JDYNMTBNYVRAIO-VCHYOVAHSA-N -1 0 517.445 5.200 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409243893 1073090587 /nfs/dbraw/zinc/09/05/87/1073090587.db2.gz YSDTYFCIWDKPII-LFVJCYFKSA-N -1 0 522.029 6.328 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409243559 1073092498 /nfs/dbraw/zinc/09/24/98/1073092498.db2.gz SMVZKNFCRDLIOE-PCLIKHOPSA-N -1 0 648.732 7.137 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1=O ZINC000409243199 1073093626 /nfs/dbraw/zinc/09/36/26/1073093626.db2.gz QGMCKKBSFOIUCE-SLMZUGIISA-N -1 0 553.618 6.876 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409242165 1073097930 /nfs/dbraw/zinc/09/79/30/1073097930.db2.gz NCXNUUJUWWXFFQ-BUVRLJJBSA-N -1 0 521.086 5.733 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O ZINC000409242045 1073098718 /nfs/dbraw/zinc/09/87/18/1073098718.db2.gz UCKQFHUJANDFIT-HMAPJEAMSA-N -1 0 532.369 5.566 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C1=O ZINC000409240640 1073107191 /nfs/dbraw/zinc/10/71/91/1073107191.db2.gz HGAPWOAJTSWVIH-LFVJCYFKSA-N -1 0 611.567 5.768 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409240472 1073108348 /nfs/dbraw/zinc/10/83/48/1073108348.db2.gz PYUZSIBMAIEWBQ-GDNBJRDFSA-N -1 0 502.335 5.301 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)o2)c1 ZINC000409238954 1073116399 /nfs/dbraw/zinc/11/63/99/1073116399.db2.gz XMQBGEPLFPOOKU-VXLYETTFSA-N -1 0 500.891 5.112 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409239022 1073116902 /nfs/dbraw/zinc/11/69/02/1073116902.db2.gz YQMMDZIOXCJHCB-WSDLNYQXSA-N -1 0 530.993 5.391 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409238291 1073121286 /nfs/dbraw/zinc/12/12/86/1073121286.db2.gz MNWIPLMKKMBZSA-YBEGLDIGSA-N -1 0 546.786 5.410 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409237761 1073123994 /nfs/dbraw/zinc/12/39/94/1073123994.db2.gz LNZABTGZVXWWSK-IMRQLAEWSA-N -1 0 544.998 6.526 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409237551 1073126448 /nfs/dbraw/zinc/12/64/48/1073126448.db2.gz XJGJENAUTDOPPC-NVMNQCDNSA-N -1 0 518.853 6.194 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)c1C)CCCC2 ZINC000409237564 1073126454 /nfs/dbraw/zinc/12/64/54/1073126454.db2.gz VLAOHGRZGVQJJK-XSFVSMFZSA-N -1 0 566.079 5.839 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409237586 1073126524 /nfs/dbraw/zinc/12/65/24/1073126524.db2.gz ADCUCWMALCXNMB-YQYKVWLJSA-N -1 0 602.159 8.419 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409237438 1073127730 /nfs/dbraw/zinc/12/77/30/1073127730.db2.gz UNRUHANGQMGMNW-CIAFOILYSA-N -1 0 508.441 5.305 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1C ZINC000409251442 1073128764 /nfs/dbraw/zinc/12/87/64/1073128764.db2.gz PYJLTXFVTZTWGT-UKWGHVSLSA-N -1 0 675.761 6.474 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409250578 1073135431 /nfs/dbraw/zinc/13/54/31/1073135431.db2.gz RDEVYLCEWNLZOF-XNTDXEJSSA-N -1 0 555.759 6.213 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409250428 1073135928 /nfs/dbraw/zinc/13/59/28/1073135928.db2.gz LOIYBADOMFKNRT-YBFXNURJSA-N -1 0 643.288 5.213 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409250147 1073138025 /nfs/dbraw/zinc/13/80/25/1073138025.db2.gz LJWWTZKGQNCZAM-UWVJOHFNSA-N -1 0 692.704 5.766 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)C2=O)cc1OC ZINC000409248478 1073148417 /nfs/dbraw/zinc/14/84/17/1073148417.db2.gz DJNUAHKJMUEGFS-UCQKPKSFSA-N -1 0 578.021 5.130 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1OCC ZINC000409247951 1073152221 /nfs/dbraw/zinc/15/22/21/1073152221.db2.gz FFMJUYUNVKGUFX-LPYMAVHISA-N -1 0 715.395 6.391 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409256652 1073155768 /nfs/dbraw/zinc/15/57/68/1073155768.db2.gz MOSLLIWBESMOMV-NDENLUEZSA-N -1 0 596.467 6.001 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409255279 1073156183 /nfs/dbraw/zinc/15/61/83/1073156183.db2.gz GWMQMKLMLKYEIQ-DEDYPNTBSA-N -1 0 613.262 5.204 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409257140 1073158247 /nfs/dbraw/zinc/15/82/47/1073158247.db2.gz QYPIVOSTZBJCFI-UUYOSTAYSA-N -1 0 562.022 5.266 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c(C)c1 ZINC000409256780 1073159815 /nfs/dbraw/zinc/15/98/15/1073159815.db2.gz QAARZLMPYLBJHD-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409256563 1073160994 /nfs/dbraw/zinc/16/09/94/1073160994.db2.gz MAWFAJDTHMQCAU-ODLFYWEKSA-N -1 0 568.413 5.303 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000409256169 1073161809 /nfs/dbraw/zinc/16/18/09/1073161809.db2.gz KASOENKLFVUQKH-KEBDBYFISA-N -1 0 584.412 5.003 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1 ZINC000409256142 1073163908 /nfs/dbraw/zinc/16/39/08/1073163908.db2.gz OBXXFGBFEPANIQ-HYARGMPZSA-N -1 0 592.446 5.149 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409254850 1073169032 /nfs/dbraw/zinc/16/90/32/1073169032.db2.gz JBELCNYWJJKEJA-UUYOSTAYSA-N -1 0 700.970 6.291 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409255106 1073169116 /nfs/dbraw/zinc/16/91/16/1073169116.db2.gz ZEPIMINLQBCJBJ-VXLYETTFSA-N -1 0 712.576 6.311 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409254939 1073169908 /nfs/dbraw/zinc/16/99/08/1073169908.db2.gz GIUOIHHMMMQCCG-WQRHYEAKSA-N -1 0 643.834 5.093 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000409254689 1073169921 /nfs/dbraw/zinc/16/99/21/1073169921.db2.gz ZXSVXRFPPOUGHE-XDHOZWIPSA-N -1 0 584.412 5.085 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1C ZINC000409254690 1073169938 /nfs/dbraw/zinc/16/99/38/1073169938.db2.gz FKYVZZZYTQGVKW-DICXZTSXSA-N -1 0 733.413 7.091 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409254140 1073175245 /nfs/dbraw/zinc/17/52/45/1073175245.db2.gz CVBKSJOFFBPFKV-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409253849 1073177621 /nfs/dbraw/zinc/17/76/21/1073177621.db2.gz VOOWPNYZUZNBFV-MTJSOVHGSA-N -1 0 626.891 5.802 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409253670 1073178542 /nfs/dbraw/zinc/17/85/42/1073178542.db2.gz VAEMEQXCIJNRRJ-SRZZPIQSSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1C ZINC000409252653 1073185200 /nfs/dbraw/zinc/18/52/00/1073185200.db2.gz CYMSKZKWEUTTPU-UNOMPAQXSA-N -1 0 538.387 5.294 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1Cl ZINC000409252684 1073185679 /nfs/dbraw/zinc/18/56/79/1073185679.db2.gz DIKJXRZZLCHWDO-LDADJPATSA-N -1 0 633.680 5.549 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409251993 1073190006 /nfs/dbraw/zinc/19/00/06/1073190006.db2.gz RCWBSFUIKSONSZ-UDWIEESQSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000409251564 1073193130 /nfs/dbraw/zinc/19/31/30/1073193130.db2.gz PQKIYBILPLEFIV-KEBDBYFISA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000409267295 1073196088 /nfs/dbraw/zinc/19/60/88/1073196088.db2.gz UMXBKBAEEULYLS-UUYOSTAYSA-N -1 0 655.343 6.129 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1 ZINC000409267013 1073197530 /nfs/dbraw/zinc/19/75/30/1073197530.db2.gz ZZSOCHDGCQABGP-GRSHGNNSSA-N -1 0 558.805 5.639 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1OC ZINC000409267039 1073198029 /nfs/dbraw/zinc/19/80/29/1073198029.db2.gz RRGGHRSYCDDMCD-MTJSOVHGSA-N -1 0 715.395 6.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1c2ccccc2[nH]c1-c1ccccc1 ZINC000002207873 1073199562 /nfs/dbraw/zinc/19/95/62/1073199562.db2.gz JRQALHBHKBKYJO-ZHZULCJRSA-N -1 0 533.325 5.106 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409266464 1073201951 /nfs/dbraw/zinc/20/19/51/1073201951.db2.gz YZNRAPSNXXCQCD-WQRHYEAKSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409266299 1073202874 /nfs/dbraw/zinc/20/28/74/1073202874.db2.gz XTCYDKYCLOBWPC-GRSHGNNSSA-N -1 0 616.885 6.346 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409266196 1073204047 /nfs/dbraw/zinc/20/40/47/1073204047.db2.gz PDQWKNWOSOXHCN-NDENLUEZSA-N -1 0 640.918 6.110 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409265747 1073206029 /nfs/dbraw/zinc/20/60/29/1073206029.db2.gz OLZNNBREEFPRLB-CIAFOILYSA-N -1 0 626.891 5.802 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)cc1Cl ZINC000409265537 1073206439 /nfs/dbraw/zinc/20/64/39/1073206439.db2.gz VKTNLPXWNVAMDG-NVMNQCDNSA-N -1 0 574.873 5.804 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409265079 1073208391 /nfs/dbraw/zinc/20/83/91/1073208391.db2.gz MMOABKDTHLDLED-MTJSOVHGSA-N -1 0 640.918 6.110 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409264210 1073213314 /nfs/dbraw/zinc/21/33/14/1073213314.db2.gz PSOAZWUHQMHOJA-ZDLGFXPLSA-N -1 0 602.858 6.038 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000409264320 1073213530 /nfs/dbraw/zinc/21/35/30/1073213530.db2.gz DNVUUCRJLVIYCH-NHDPSOOVSA-N -1 0 672.286 5.421 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)cc1OCC ZINC000409263912 1073215080 /nfs/dbraw/zinc/21/50/80/1073215080.db2.gz CWMKYSDGXKKMFP-HYARGMPZSA-N -1 0 701.368 6.083 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c1C ZINC000409263596 1073216576 /nfs/dbraw/zinc/21/65/76/1073216576.db2.gz ICPKMSGOMCTABH-RGVLZGJSSA-N -1 0 596.865 5.712 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409262760 1073220348 /nfs/dbraw/zinc/22/03/48/1073220348.db2.gz JWASDWREVRCPSF-NHDPSOOVSA-N -1 0 717.900 5.122 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409262604 1073221137 /nfs/dbraw/zinc/22/11/37/1073221137.db2.gz JBEQGKOESHFAQM-GRSHGNNSSA-N -1 0 661.336 6.455 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1 ZINC000409262625 1073221151 /nfs/dbraw/zinc/22/11/51/1073221151.db2.gz JDSKYSAPXWTQPF-OCKHKDLRSA-N -1 0 583.384 5.202 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409262644 1073221177 /nfs/dbraw/zinc/22/11/77/1073221177.db2.gz GGPLLCBWELMTFD-HYARGMPZSA-N -1 0 592.446 5.149 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409262142 1073222648 /nfs/dbraw/zinc/22/26/48/1073222648.db2.gz FLNFPMHPMDVKJR-BUVRLJJBSA-N -1 0 680.552 6.028 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409262011 1073223803 /nfs/dbraw/zinc/22/38/03/1073223803.db2.gz HANIDTCNFKZMNR-JJIBRWJFSA-N -1 0 601.656 5.265 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409261891 1073224490 /nfs/dbraw/zinc/22/44/90/1073224490.db2.gz FCVCBZQVFSTMFV-JMIUGGIZSA-N -1 0 705.743 5.644 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261960 1073225011 /nfs/dbraw/zinc/22/50/11/1073225011.db2.gz FQKNTXHDGLMXJQ-JAIQZWGSSA-N -1 0 675.932 5.501 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1Cl ZINC000409261669 1073226567 /nfs/dbraw/zinc/22/65/67/1073226567.db2.gz CPRSHSFWJQVYBX-WSVATBPTSA-N -1 0 603.802 5.547 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261429 1073226939 /nfs/dbraw/zinc/22/69/39/1073226939.db2.gz BSFYKKNORNCBJD-SRZZPIQSSA-N -1 0 642.890 5.502 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c1C ZINC000409261031 1073229900 /nfs/dbraw/zinc/22/99/00/1073229900.db2.gz AFUPRGQURBRZKP-ZDLGFXPLSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409260835 1073230771 /nfs/dbraw/zinc/23/07/71/1073230771.db2.gz XGTNJWCVEOWUAG-JMIUGGIZSA-N -1 0 675.863 5.041 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409260882 1073231159 /nfs/dbraw/zinc/23/11/59/1073231159.db2.gz XYUXWWXTKLONFB-CXUHLZMHSA-N -1 0 651.670 5.688 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1OCC ZINC000409260943 1073231193 /nfs/dbraw/zinc/23/11/93/1073231193.db2.gz YWDAUNOLJXGTDR-LPYMAVHISA-N -1 0 640.520 6.482 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409260489 1073234159 /nfs/dbraw/zinc/23/41/59/1073234159.db2.gz QWUILSIQOHOANX-IMRQLAEWSA-N -1 0 591.620 5.267 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409260488 1073234265 /nfs/dbraw/zinc/23/42/65/1073234265.db2.gz QWSOLKGUMUIZMS-YUMHPJSZSA-N -1 0 731.543 6.180 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409260229 1073236168 /nfs/dbraw/zinc/23/61/68/1073236168.db2.gz MZLGUYDXCQTOFI-BUVRLJJBSA-N -1 0 741.579 6.178 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000409259448 1073239685 /nfs/dbraw/zinc/23/96/85/1073239685.db2.gz ZFSXGZZIHWRURG-YDZHTSKRSA-N -1 0 578.021 5.048 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OC ZINC000409259166 1073241829 /nfs/dbraw/zinc/24/18/29/1073241829.db2.gz WZAKGERHJGVBIO-JLPGSUDCSA-N -1 0 601.656 5.183 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409258865 1073243305 /nfs/dbraw/zinc/24/33/05/1073243305.db2.gz VTMXRECLQVULKO-MYYYXRDXSA-N -1 0 616.457 6.256 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409258845 1073243502 /nfs/dbraw/zinc/24/35/02/1073243502.db2.gz XXWWOXRLTPJFCF-XSFVSMFZSA-N -1 0 612.466 5.865 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409258689 1073243748 /nfs/dbraw/zinc/24/37/48/1073243748.db2.gz YYUYJSKQXDSWRX-XKZIYDEJSA-N -1 0 547.995 5.039 40 10 KKCBRM Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1C ZINC000409258720 1073244317 /nfs/dbraw/zinc/24/43/17/1073244317.db2.gz ZNBHHCFTPZVMFK-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409258390 1073245907 /nfs/dbraw/zinc/24/59/07/1073245907.db2.gz UURZBSNBGADSCY-PDGQHHTCSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409258422 1073246286 /nfs/dbraw/zinc/24/62/86/1073246286.db2.gz UXJOPTOTVPXOKG-YUMHPJSZSA-N -1 0 640.092 6.228 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409258459 1073246365 /nfs/dbraw/zinc/24/63/65/1073246365.db2.gz VBNKIZIZBOTELR-YBEGLDIGSA-N -1 0 649.748 5.714 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409258106 1073247691 /nfs/dbraw/zinc/24/76/91/1073247691.db2.gz TWNXQYPHNQQNAW-QRQIAZFYSA-N -1 0 698.570 6.728 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258001 1073248845 /nfs/dbraw/zinc/24/88/45/1073248845.db2.gz SOXOOLZQOYJOKT-UFWORHAWSA-N -1 0 647.309 6.065 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OCC ZINC000409258008 1073248891 /nfs/dbraw/zinc/24/88/91/1073248891.db2.gz VPRAJSXCYIXCGM-KOEQRZSOSA-N -1 0 615.683 5.574 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000409257542 1073251248 /nfs/dbraw/zinc/25/12/48/1073251248.db2.gz SRRGYYRCTDQMCD-VXLYETTFSA-N -1 0 706.185 6.275 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409257503 1073251337 /nfs/dbraw/zinc/25/13/37/1073251337.db2.gz RYNHHLAWHZTVML-MTJSOVHGSA-N -1 0 596.467 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409257341 1073252059 /nfs/dbraw/zinc/25/20/59/1073252059.db2.gz QEFZBMOOIWBDJX-KEBDBYFISA-N -1 0 673.891 5.562 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)C1=O ZINC000409257350 1073252161 /nfs/dbraw/zinc/25/21/61/1073252161.db2.gz SEAOLGYBRRLMAP-WOJGMQOQSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000409272387 1073255283 /nfs/dbraw/zinc/25/52/83/1073255283.db2.gz PXHJOGCACCSFJD-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409272084 1073257369 /nfs/dbraw/zinc/25/73/69/1073257369.db2.gz OJUDOJVUZIHXDA-JAIQZWGSSA-N -1 0 558.805 5.639 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409271459 1073263747 /nfs/dbraw/zinc/26/37/47/1073263747.db2.gz LFMJGPUWJAFXAY-YDZHTSKRSA-N -1 0 714.997 6.681 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409271163 1073266169 /nfs/dbraw/zinc/26/61/69/1073266169.db2.gz KFBCOMAFRHFZAP-NDENLUEZSA-N -1 0 612.864 5.494 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000409270807 1073268379 /nfs/dbraw/zinc/26/83/79/1073268379.db2.gz RIJILSCSZKKEIX-DJKKODMXSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000409270387 1073270941 /nfs/dbraw/zinc/27/09/41/1073270941.db2.gz FFQBFIXYSPLVLV-FMCGGJTJSA-N -1 0 655.343 6.129 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409269889 1073273344 /nfs/dbraw/zinc/27/33/44/1073273344.db2.gz ASILIVBWJHJKGZ-OCKHKDLRSA-N -1 0 680.282 5.599 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1Cl ZINC000409269190 1073278957 /nfs/dbraw/zinc/27/89/57/1073278957.db2.gz GUAAGUZHTRZMJJ-IUXPMGMMSA-N -1 0 696.179 6.819 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1OC ZINC000409268990 1073281714 /nfs/dbraw/zinc/28/17/14/1073281714.db2.gz CMFSXTBLRMMEJP-XKZIYDEJSA-N -1 0 699.498 5.090 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1OCC ZINC000409268435 1073283592 /nfs/dbraw/zinc/28/35/92/1073283592.db2.gz TYWVOFFPWKGFTE-XQNSMLJCSA-N -1 0 592.048 5.520 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1 ZINC000409268468 1073283648 /nfs/dbraw/zinc/28/36/48/1073283648.db2.gz UDDXSSVWVQDDEG-YSMPRRRNSA-N -1 0 719.386 6.783 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409268019 1073286346 /nfs/dbraw/zinc/28/63/46/1073286346.db2.gz YSQVWUVEMYWYLQ-HMAPJEAMSA-N -1 0 547.995 5.039 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409267756 1073288354 /nfs/dbraw/zinc/28/83/54/1073288354.db2.gz WDUWDVKXXUUAHX-YDZHTSKRSA-N -1 0 670.546 6.572 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409267674 1073289108 /nfs/dbraw/zinc/28/91/08/1073289108.db2.gz WXFGILZRFVRDRM-CIAFOILYSA-N -1 0 657.315 5.521 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409275499 1073298014 /nfs/dbraw/zinc/29/80/14/1073298014.db2.gz VGWAVSCDLBTFNP-YDZHTSKRSA-N -1 0 503.580 5.084 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)ccc1Cl ZINC000409274552 1073308681 /nfs/dbraw/zinc/30/86/81/1073308681.db2.gz PLPVSADEGRCCGE-CAOOACKPSA-N -1 0 536.871 5.391 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1OC ZINC000409273595 1073318241 /nfs/dbraw/zinc/31/82/41/1073318241.db2.gz ZFEGQQKEKMOBKL-HMAPJEAMSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409273162 1073335104 /nfs/dbraw/zinc/33/51/04/1073335104.db2.gz WCDDATLUIUHALI-ODLFYWEKSA-N -1 0 617.283 6.057 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409272823 1073336020 /nfs/dbraw/zinc/33/60/20/1073336020.db2.gz SQFWDIDJDROIHX-HMAPJEAMSA-N -1 0 699.498 5.171 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059247901 193893160 /nfs/dbraw/zinc/89/31/60/193893160.db2.gz HPHOJFFRTIOLNV-MHWRWJLKSA-N -1 0 503.761 5.513 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225531664 193966186 /nfs/dbraw/zinc/96/61/86/193966186.db2.gz WZIGOYNXKALQGY-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2I)cc1 ZINC000408852411 195492968 /nfs/dbraw/zinc/49/29/68/195492968.db2.gz KNEGPENURIBHSG-SRZZPIQSSA-N -1 0 645.291 6.224 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409231390 195506981 /nfs/dbraw/zinc/50/69/81/195506981.db2.gz CTXVPLLFQDBJPX-YDZHTSKRSA-N -1 0 522.468 5.811 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000001243452 551631239 /nfs/dbraw/zinc/63/12/39/551631239.db2.gz BEUIWNUPVOXBJX-HZHRSRAPSA-N -1 0 514.379 6.517 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000002260432 552084137 /nfs/dbraw/zinc/08/41/37/552084137.db2.gz VSCJWOBYGFMCFA-ZVHZXABRSA-N -1 0 542.975 5.756 40 10 KKCBRM O=C([O-])CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000002367983 552104567 /nfs/dbraw/zinc/10/45/67/552104567.db2.gz XIVSWKDHUADJLS-RCCKNPSSSA-N -1 0 512.056 6.039 40 10 KKCBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)Nc1ccccc1 ZINC000008432727 553026963 /nfs/dbraw/zinc/02/69/63/553026963.db2.gz UIBDPBSGQPIPER-RHANQZHGSA-N -1 0 575.665 5.838 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008695562 553122227 /nfs/dbraw/zinc/12/22/27/553122227.db2.gz KTTMMQKIDDOMPA-WPWMEQJKSA-N -1 0 568.680 6.293 40 10 KKCBRM CCOc1cc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)ccc1OCc1ccccc1Cl ZINC000008821789 553156058 /nfs/dbraw/zinc/15/60/58/553156058.db2.gz IDWAYJDGIJNNPW-CFRMEGHHSA-N -1 0 523.010 6.407 40 10 KKCBRM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)ccc1O ZINC000008872144 553172529 /nfs/dbraw/zinc/17/25/29/553172529.db2.gz FFFVNNRKFUXKMY-LDADJPATSA-N -1 0 518.352 7.129 40 10 KKCBRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)cc1C ZINC000013675203 553482633 /nfs/dbraw/zinc/48/26/33/553482633.db2.gz NYVMJLBAYPYPPX-UHFFFAOYSA-N -1 0 512.075 5.678 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000014133032 553501581 /nfs/dbraw/zinc/50/15/81/553501581.db2.gz DGZXXNVCHQJDFE-XDHOZWIPSA-N -1 0 508.933 5.432 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000016195801 553556672 /nfs/dbraw/zinc/55/66/72/553556672.db2.gz BKKBAEKFUFDOPD-YBEGLDIGSA-N -1 0 515.324 5.387 40 10 KKCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000016429230 553563333 /nfs/dbraw/zinc/56/33/33/553563333.db2.gz FPQCCFCUNVFXNC-XLNZFTOWSA-N -1 0 515.418 6.319 40 10 KKCBRM COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)[N-]C(=O)N(Cc5ccco5)C4=O)c3C)cc2)cc1 ZINC000083294191 553676692 /nfs/dbraw/zinc/67/66/92/553676692.db2.gz WCHLIFXAJKFNNV-WGOQTCKBSA-N -1 0 511.534 5.990 40 10 KKCBRM C/C=C/c1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 ZINC000032194004 553867248 /nfs/dbraw/zinc/86/72/48/553867248.db2.gz NCAOJMUSACQZQI-POKKRASOSA-N -1 0 517.379 5.728 40 10 KKCBRM Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 ZINC000033352621 553922552 /nfs/dbraw/zinc/92/25/52/553922552.db2.gz DDCXXMSNVWLQCX-OEAKJJBVSA-N -1 0 514.379 6.267 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230082 554255818 /nfs/dbraw/zinc/25/58/18/554255818.db2.gz NKDQLTGNGYSYAC-KEBDBYFISA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100230388 554256163 /nfs/dbraw/zinc/25/61/63/554256163.db2.gz VOBNVBPBSWFHEC-BUVRLJJBSA-N -1 0 571.427 6.246 40 10 KKCBRM CC[C@@H](C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000041108871 554295539 /nfs/dbraw/zinc/29/55/39/554295539.db2.gz PONOWPFTXVZZAE-GJQHCVRFSA-N -1 0 506.002 6.549 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N([C@H](C)c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000041108826 554295566 /nfs/dbraw/zinc/29/55/66/554295566.db2.gz HWTVKVGTJSNBQB-JJWXFRNXSA-N -1 0 500.551 5.525 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100320249 554304776 /nfs/dbraw/zinc/30/47/76/554304776.db2.gz HUOVFJDKKZZKQW-AWQFTUOYSA-N -1 0 604.284 6.627 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100320744 554305103 /nfs/dbraw/zinc/30/51/03/554305103.db2.gz CXBWZUFHWSVMBZ-NVMNQCDNSA-N -1 0 576.230 6.010 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100321032 554305438 /nfs/dbraw/zinc/30/54/38/554305438.db2.gz NNLVCGJYUIOOBR-ODLFYWEKSA-N -1 0 557.853 5.521 40 10 KKCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847679 554367095 /nfs/dbraw/zinc/36/70/95/554367095.db2.gz KWTVCHKKJRIJOG-HOOSLVGPSA-N -1 0 515.418 6.319 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000100394105 554368294 /nfs/dbraw/zinc/36/82/94/554368294.db2.gz WVQSAGCEWXQEDQ-RGVLZGJSSA-N -1 0 562.272 6.166 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O[C@@H](C)CC)c(OCC)c3)C2=O)c1 ZINC000059104119 554379420 /nfs/dbraw/zinc/37/94/20/554379420.db2.gz OBSLPEQSBXQWHU-QUYZQLMHSA-N -1 0 531.005 6.220 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000059104259 554379480 /nfs/dbraw/zinc/37/94/80/554379480.db2.gz JLJWNCOLACBFQS-CPNJWEJPSA-N -1 0 505.483 5.467 40 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KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000059198308 554384796 /nfs/dbraw/zinc/38/47/96/554384796.db2.gz FCKRVEFYIXQSMD-GDNBJRDFSA-N -1 0 506.139 6.523 40 10 KKCBRM Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)c3ccccc32)c1 ZINC000059198367 554385001 /nfs/dbraw/zinc/38/50/01/554385001.db2.gz XDWGUGTWSOROOH-YDZHTSKRSA-N -1 0 514.379 6.267 40 10 KKCBRM Nc1cc(N)c(NN=C2C=C([N+](=O)[O-])C=CC2=O)cc1N=Nc1cccc2c1cccc2S(=O)(=O)[O-] ZINC000100453095 554395702 /nfs/dbraw/zinc/39/57/02/554395702.db2.gz VMKWPUCCYMSOEA-COGCMUBNSA-N -1 0 507.488 5.696 40 10 KKCBRM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000100525010 554409874 /nfs/dbraw/zinc/40/98/74/554409874.db2.gz RFQVJOJWZRZSMN-LGBDKOASSA-N -1 0 530.009 6.578 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000059861071 554456265 /nfs/dbraw/zinc/45/62/65/554456265.db2.gz FTYBURHOHDLMMY-STZFKDTASA-N -1 0 506.942 5.833 40 10 KKCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OC(C)C ZINC000059860947 554456336 /nfs/dbraw/zinc/45/63/36/554456336.db2.gz PSTVZZVNGHXJMZ-DHRITJCHSA-N -1 0 514.622 6.457 40 10 KKCBRM Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(NC(=O)c4cc(-c5ccncc5)nc5ccccc54)cc3)n2)cc1 ZINC000100932797 554527924 /nfs/dbraw/zinc/52/79/24/554527924.db2.gz FWRVSJWUENFFDL-UHFFFAOYSA-N -1 0 577.691 6.782 40 10 KKCBRM Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000100959072 554542003 /nfs/dbraw/zinc/54/20/03/554542003.db2.gz CTBANDNXSPBXDO-HAHDFKILSA-N -1 0 591.506 5.343 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000101630509 554811715 /nfs/dbraw/zinc/81/17/15/554811715.db2.gz OCBJSYCOMIJDQK-MOSHPQCFSA-N -1 0 523.358 5.396 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000101740502 554833893 /nfs/dbraw/zinc/83/38/93/554833893.db2.gz KBOQEOUTZSARFG-LICLKQGHSA-N -1 0 587.311 5.475 40 10 KKCBRM CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1 ZINC000103558701 555447135 /nfs/dbraw/zinc/44/71/35/555447135.db2.gz XZKRSQQFWITBME-HKOYGPOVSA-N -1 0 535.691 6.174 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103707913 555464343 /nfs/dbraw/zinc/46/43/43/555464343.db2.gz GDUHWVXBGZIAMA-GRSHGNNSSA-N -1 0 555.461 5.086 40 10 KKCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000103785605 555477448 /nfs/dbraw/zinc/47/74/48/555477448.db2.gz RTLUPXDLUYIONG-UUYOSTAYSA-N -1 0 548.824 6.610 40 10 KKCBRM Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000103812052 555482069 /nfs/dbraw/zinc/48/20/69/555482069.db2.gz HKNDQBPGUJCRIJ-MTDXEUNCSA-N -1 0 549.675 5.595 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OC(C)C ZINC000103814458 555482299 /nfs/dbraw/zinc/48/22/99/555482299.db2.gz CMHLJJZNRHCOLN-BHGWPJFGSA-N -1 0 593.518 6.379 40 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542.419 5.865 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000103849146 571364073 /nfs/dbraw/zinc/36/40/73/571364073.db2.gz XMDCOGPJYZRUMH-FYJGNVAPSA-N -1 0 539.357 5.232 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000103849819 571364339 /nfs/dbraw/zinc/36/43/39/571364339.db2.gz XKGGSIBJOFTNIQ-YDZHTSKRSA-N -1 0 530.939 5.886 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000103850330 571364444 /nfs/dbraw/zinc/36/44/44/571364444.db2.gz UWUVOTBPGKINRT-RGVLZGJSSA-N -1 0 618.253 5.995 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000103850419 571364484 /nfs/dbraw/zinc/36/44/84/571364484.db2.gz GQJPKMFBOZOGGR-RGVLZGJSSA-N -1 0 604.347 5.214 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000103850513 571364685 /nfs/dbraw/zinc/36/46/85/571364685.db2.gz VAXBGHPATSIQGV-CIAFOILYSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Br)c1 ZINC000103851673 571364964 /nfs/dbraw/zinc/36/49/64/571364964.db2.gz VUNVMZNQOCLEJO-LICLKQGHSA-N -1 0 559.844 5.960 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000103851522 571364978 /nfs/dbraw/zinc/36/49/78/571364978.db2.gz PKMOKPJQCJUVEW-LFIBNONCSA-N -1 0 529.362 5.138 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851668 571364996 /nfs/dbraw/zinc/36/49/96/571364996.db2.gz IUAITPSALDSHDD-LICLKQGHSA-N -1 0 559.844 5.960 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000103851874 571365110 /nfs/dbraw/zinc/36/51/10/571365110.db2.gz FUMCUZNYQQQAHZ-LFIBNONCSA-N -1 0 592.817 5.494 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000103852545 571365509 /nfs/dbraw/zinc/36/55/09/571365509.db2.gz XWRQEQRUTGVIMK-XDHOZWIPSA-N -1 0 525.001 5.597 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1F ZINC000103852754 571365615 /nfs/dbraw/zinc/36/56/15/571365615.db2.gz IRYFQIJXMLRDHV-GZTJUZNOSA-N -1 0 573.415 5.536 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000103852776 571365653 /nfs/dbraw/zinc/36/56/53/571365653.db2.gz RTXVUSYEZOUUCP-XDHOZWIPSA-N -1 0 569.452 5.706 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000103852805 571365671 /nfs/dbraw/zinc/36/56/71/571365671.db2.gz XYNRGWMTDPKONZ-HYARGMPZSA-N -1 0 605.485 6.550 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000103853238 571365736 /nfs/dbraw/zinc/36/57/36/571365736.db2.gz TXSLUMKWNQJSFZ-LDADJPATSA-N -1 0 545.817 5.652 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000103853290 571365748 /nfs/dbraw/zinc/36/57/48/571365748.db2.gz PQPBVAHHUICNRX-CPNJWEJPSA-N -1 0 525.399 5.307 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000103853231 571365795 /nfs/dbraw/zinc/36/57/95/571365795.db2.gz YAYAHTFTUDBCOD-SFQUDFHCSA-N -1 0 545.817 5.652 40 10 KKCBRM Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000103855182 571366018 /nfs/dbraw/zinc/36/60/18/571366018.db2.gz VNQALXNCWPAWGQ-OVVQPSECSA-N -1 0 533.584 5.993 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000103858452 571366627 /nfs/dbraw/zinc/36/66/27/571366627.db2.gz IEPNLLDLLQWYCT-YBFXNURJSA-N -1 0 601.207 5.365 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000103859694 571367208 /nfs/dbraw/zinc/36/72/08/571367208.db2.gz KDAPJDOZSMEIIU-BUVRLJJBSA-N -1 0 606.270 6.610 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103859792 571367245 /nfs/dbraw/zinc/36/72/45/571367245.db2.gz JZYOOTHYZDLYPC-NVMNQCDNSA-N -1 0 533.209 5.830 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000103859850 571367277 /nfs/dbraw/zinc/36/72/77/571367277.db2.gz YWSFIKDVWSUGMN-YBFXNURJSA-N -1 0 556.210 5.457 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103876253 571368457 /nfs/dbraw/zinc/36/84/57/571368457.db2.gz WSPVVYYHASFLEN-WGOQTCKBSA-N -1 0 613.139 6.915 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C2=O)cc1 ZINC000103876343 571368483 /nfs/dbraw/zinc/36/84/83/571368483.db2.gz BIDYEDOSCXALEU-OVVQPSECSA-N -1 0 608.720 6.270 40 10 KKCBRM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000103919142 571369540 /nfs/dbraw/zinc/36/95/40/571369540.db2.gz XXUACMNLFRFYHI-ITYLOYPMSA-N -1 0 523.687 7.770 40 10 KKCBRM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccccc2OC(F)(F)F)cc1 ZINC000103922868 571369937 /nfs/dbraw/zinc/36/99/37/571369937.db2.gz AUHJGSLKEGCISS-JCMHNJIXSA-N -1 0 524.524 6.341 40 10 KKCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646298 571381929 /nfs/dbraw/zinc/38/19/29/571381929.db2.gz SLQTWZZOAYNKQE-PVTPYKNESA-N -1 0 522.626 6.679 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000104649553 571382959 /nfs/dbraw/zinc/38/29/59/571382959.db2.gz ANUMVHUFKJGXOF-ANSQWYIGSA-N -1 0 542.013 5.893 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650594 571383329 /nfs/dbraw/zinc/38/33/29/571383329.db2.gz ZZXLXNXFJSBDGI-QLODZENZSA-N -1 0 519.425 6.768 40 10 KKCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000104709328 571385655 /nfs/dbraw/zinc/38/56/55/571385655.db2.gz YZIJTESXQTZAPX-DPLHUUCSSA-N -1 0 521.367 6.461 40 10 KKCBRM Cc1ccccc1OCCn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 ZINC000104882102 571387038 /nfs/dbraw/zinc/38/70/38/571387038.db2.gz AYCLPQURGAYADU-HZHRSRAPSA-N -1 0 550.453 5.586 40 10 KKCBRM Cc1ccc(OCCn2cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3cc(Br)ccc32)cc1 ZINC000104881934 571387083 /nfs/dbraw/zinc/38/70/83/571387083.db2.gz QYPMKHGZCGLJRN-YDZHTSKRSA-N -1 0 548.393 5.046 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000112245564 571435688 /nfs/dbraw/zinc/43/56/88/571435688.db2.gz IXHNCBFGVPCAAK-UDWIEESQSA-N -1 0 582.394 5.162 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C1=O ZINC000112245298 571435755 /nfs/dbraw/zinc/43/57/55/571435755.db2.gz VDVIRIOETHDFOX-XDHOZWIPSA-N -1 0 570.237 5.765 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000150371546 571465888 /nfs/dbraw/zinc/46/58/88/571465888.db2.gz REYUZFLLTJRMCB-YBFXNURJSA-N -1 0 635.106 6.220 40 10 KKCBRM CC(CCC(=O)[O-])(c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1)c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1 ZINC000150374098 571466196 /nfs/dbraw/zinc/46/61/96/571466196.db2.gz JVHLBDIAJWTLDO-UHFFFAOYSA-N -1 0 648.803 9.945 40 10 KKCBRM CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(OC)cc3)c2)c(C(C)(C)CC)c1 ZINC000150384864 571468461 /nfs/dbraw/zinc/46/84/61/571468461.db2.gz GKFRFXGNFWGAEB-OXTXTRGYSA-N -1 0 806.191 10.291 40 10 KKCBRM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000223482864 571484492 /nfs/dbraw/zinc/48/44/92/571484492.db2.gz IOMUNNGTBNSUJT-FYJGNVAPSA-N -1 0 524.484 5.691 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)c(C)c2)cc1 ZINC000150415266 571485498 /nfs/dbraw/zinc/48/54/98/571485498.db2.gz CPQLZMSMSQIRSA-BUVRLJJBSA-N -1 0 669.428 7.882 40 10 KKCBRM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000223489638 571485802 /nfs/dbraw/zinc/48/58/02/571485802.db2.gz GBZMZZPHFZVSIH-CIAFOILYSA-N -1 0 524.484 5.691 40 10 KKCBRM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000223489828 571485862 /nfs/dbraw/zinc/48/58/62/571485862.db2.gz UPGCJJQCAPQBHP-LDADJPATSA-N -1 0 514.478 6.235 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150425049 571489493 /nfs/dbraw/zinc/48/94/93/571489493.db2.gz RTOVINVKBXVLCG-DJKKODMXSA-N -1 0 624.702 7.053 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223513885 571490818 /nfs/dbraw/zinc/49/08/18/571490818.db2.gz DMZAZIZZBLIKBQ-LPYMAVHISA-N -1 0 522.443 5.834 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223514450 571491299 /nfs/dbraw/zinc/49/12/99/571491299.db2.gz VIRQHPLNNXLOBG-RGVLZGJSSA-N -1 0 512.437 6.379 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000150434910 571494995 /nfs/dbraw/zinc/49/49/95/571494995.db2.gz MFLUWBMCOUSWQF-MTJSOVHGSA-N -1 0 630.289 5.864 40 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CAEDIXYYAVMRHL-REIAIGDLSA-N -1 0 510.432 5.536 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150481359 571512522 /nfs/dbraw/zinc/51/25/22/571512522.db2.gz GIHZLEDZIFPXCG-PXNMLYILSA-N -1 0 709.203 5.337 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223608568 571512836 /nfs/dbraw/zinc/51/28/36/571512836.db2.gz HMLIQMPPLLSGQJ-YODDIOPGSA-N -1 0 514.453 6.469 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)[N-]C2=S)cc1 ZINC000223609530 571513179 /nfs/dbraw/zinc/51/31/79/571513179.db2.gz YMXOVJTZRQCRSN-WWJLXRQJSA-N -1 0 505.684 5.726 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)c1 ZINC000164323993 571545528 /nfs/dbraw/zinc/54/55/28/571545528.db2.gz LIISOHYTAJDZNO-LPYMAVHISA-N -1 0 717.488 5.310 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)c1 ZINC000164323113 571545537 /nfs/dbraw/zinc/54/55/37/571545537.db2.gz JNBWSFZMWBVZSM-UDWIEESQSA-N -1 0 644.316 6.254 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)C2=O)c1 ZINC000164313424 571545573 /nfs/dbraw/zinc/54/55/73/571545573.db2.gz OELLIQGITWSQTF-ZVHZXABRSA-N -1 0 788.376 7.092 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224437933 571545949 /nfs/dbraw/zinc/54/59/49/571545949.db2.gz DKHZDSWWCLRRDD-CLJLJLNGSA-N -1 0 500.599 5.812 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(OCC)c3)C2=O)c1 ZINC000164340229 571545988 /nfs/dbraw/zinc/54/59/88/571545988.db2.gz ORTKFKAURGSQAJ-HZHRSRAPSA-N -1 0 656.473 5.733 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000164336190 571546027 /nfs/dbraw/zinc/54/60/27/571546027.db2.gz UXIKGJJNQKYKFB-ATZGPIRCSA-N -1 0 661.198 8.605 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164342898 571546038 /nfs/dbraw/zinc/54/60/38/571546038.db2.gz OMJGEUGUYGUQRQ-QGMBQPNBSA-N -1 0 677.245 5.036 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164353063 571546277 /nfs/dbraw/zinc/54/62/77/571546277.db2.gz FLIDAGCYOUHMCK-CCVNUDIWSA-N -1 0 737.034 8.057 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000164371641 571546441 /nfs/dbraw/zinc/54/64/41/571546441.db2.gz MCAGHRHKVDWEJO-GIJQJNRQSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000164372862 571546463 /nfs/dbraw/zinc/54/64/63/571546463.db2.gz ZYLVQQHJEBOEJO-RQZCQDPDSA-N -1 0 655.645 6.092 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000164371056 571546574 /nfs/dbraw/zinc/54/65/74/571546574.db2.gz FFNJQDPVWTVRNQ-REZTVBANSA-N -1 0 643.090 6.903 40 10 KKCBRM Cc1cccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2I)c1 ZINC000164377349 571546637 /nfs/dbraw/zinc/54/66/37/571546637.db2.gz NPOQFCSVUGAYHQ-VXLYETTFSA-N -1 0 682.227 5.589 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000164376536 571546765 /nfs/dbraw/zinc/54/67/65/571546765.db2.gz NJOVDBWTSDQLAT-GIJQJNRQSA-N -1 0 747.096 6.043 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164395134 571547021 /nfs/dbraw/zinc/54/70/21/571547021.db2.gz DNGWRGJNOCMGPH-CXUHLZMHSA-N -1 0 682.265 5.511 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000164398469 571547193 /nfs/dbraw/zinc/54/71/93/571547193.db2.gz YRBUITKTVOUBJR-LICLKQGHSA-N -1 0 698.295 5.754 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000164406183 571547206 /nfs/dbraw/zinc/54/72/06/571547206.db2.gz JOXNOLMRVGXPEI-WOJGMQOQSA-N -1 0 620.415 5.378 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000164400544 571547223 /nfs/dbraw/zinc/54/72/23/571547223.db2.gz CFZZFWZYJXHVTC-LICLKQGHSA-N -1 0 622.843 5.503 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164405619 571547312 /nfs/dbraw/zinc/54/73/12/571547312.db2.gz SUJLSJHXYXAINS-CXUHLZMHSA-N -1 0 671.315 6.546 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164442239 571547663 /nfs/dbraw/zinc/54/76/63/571547663.db2.gz QMWZKSXZONJPHQ-ZDLGFXPLSA-N -1 0 620.681 6.119 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000164450130 571547889 /nfs/dbraw/zinc/54/78/89/571547889.db2.gz JDJZGZLAPZPSTM-GIJQJNRQSA-N -1 0 700.096 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000164448843 571547898 /nfs/dbraw/zinc/54/78/98/571547898.db2.gz DPVAMFYMZUVZIW-WSDLNYQXSA-N -1 0 640.715 7.264 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000164457414 571548132 /nfs/dbraw/zinc/54/81/32/571548132.db2.gz JPORIEGCRHJVRU-WSDLNYQXSA-N -1 0 779.166 7.057 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164459645 571548172 /nfs/dbraw/zinc/54/81/72/571548172.db2.gz AGNRCGFPZGDMOA-VXLYETTFSA-N -1 0 631.233 5.374 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000164462702 571548363 /nfs/dbraw/zinc/54/83/63/571548363.db2.gz FRLQIPQYJRIMGV-VXLYETTFSA-N -1 0 631.233 5.374 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000164470168 571548582 /nfs/dbraw/zinc/54/85/82/571548582.db2.gz HBZIKNQTCGOTJX-DJKKODMXSA-N -1 0 669.153 7.163 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000164470303 571548719 /nfs/dbraw/zinc/54/87/19/571548719.db2.gz HPQCEYKBWVWNDY-VCHYOVAHSA-N -1 0 669.153 7.163 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224466684 571552577 /nfs/dbraw/zinc/55/25/77/571552577.db2.gz CJILBFHIKNOOCT-DQEYMECFSA-N -1 0 503.027 6.018 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224469706 571553305 /nfs/dbraw/zinc/55/33/05/571553305.db2.gz QJOCCEZRNWPPMM-CLJLJLNGSA-N -1 0 517.054 6.326 40 10 KKCBRM CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000169620043 571554249 /nfs/dbraw/zinc/55/42/49/571554249.db2.gz WUEWKIOEQWJMCU-WIVXBSKCSA-N -1 0 529.743 7.166 40 10 KKCBRM COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224537328 571569273 /nfs/dbraw/zinc/56/92/73/571569273.db2.gz NAJXXDWKVAYMAJ-SXOMAYOGSA-N -1 0 512.635 5.681 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223898555 571570604 /nfs/dbraw/zinc/57/06/04/571570604.db2.gz XAEWSNRWJPBEFN-RRPNLBNLSA-N -1 0 511.651 5.430 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccccc1Cl ZINC000206257251 571572758 /nfs/dbraw/zinc/57/27/58/571572758.db2.gz BKAFBAWNJSKZKR-WSDLNYQXSA-N -1 0 512.008 6.032 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000206826557 571572902 /nfs/dbraw/zinc/57/29/02/571572902.db2.gz TUJNFIROIDSATD-WOJGMQOQSA-N -1 0 522.442 5.021 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000207350886 571573227 /nfs/dbraw/zinc/57/32/27/571573227.db2.gz ULJPZHHAHKOTAG-OKCVXOCRSA-N -1 0 590.123 7.477 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208236123 571573598 /nfs/dbraw/zinc/57/35/98/571573598.db2.gz KFYNJYWQIOJIGQ-RVZJCZPVSA-N -1 0 512.473 5.311 40 10 KKCBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21 ZINC000208242557 571573637 /nfs/dbraw/zinc/57/36/37/571573637.db2.gz RJKUZIIYXBHFFX-WIJRQFRKSA-N -1 0 506.817 6.035 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208328325 571573756 /nfs/dbraw/zinc/57/37/56/571573756.db2.gz UDMTUIKFFLGVBK-VYVDHXHBSA-N -1 0 524.459 5.844 40 10 KKCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21 ZINC000208471260 571574462 /nfs/dbraw/zinc/57/44/62/571574462.db2.gz XDBWNNHJBKQPGJ-LZYBPNLTSA-N -1 0 504.801 5.945 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)ccc1Cl ZINC000208708167 571575085 /nfs/dbraw/zinc/57/50/85/571575085.db2.gz XQORZOWRCFVYDB-ZDLGFXPLSA-N -1 0 509.914 6.723 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223936095 571578698 /nfs/dbraw/zinc/57/86/98/571578698.db2.gz CULLKLXOKNGDTP-VMPREFPWSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223935980 571578711 /nfs/dbraw/zinc/57/87/11/571578711.db2.gz CULLKLXOKNGDTP-WDYNHAJCSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223940194 571579762 /nfs/dbraw/zinc/57/97/62/571579762.db2.gz PGHCKKNMZITVAE-IHLOFXLRSA-N -1 0 567.715 5.509 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223980734 571588069 /nfs/dbraw/zinc/58/80/69/571588069.db2.gz GUDXNHZFUDEPBD-IZLXSDGUSA-N -1 0 539.661 5.631 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224639011 571592756 /nfs/dbraw/zinc/59/27/56/571592756.db2.gz MLKZNRRFRQCMRZ-FIRIVFDPSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224020126 571596514 /nfs/dbraw/zinc/59/65/14/571596514.db2.gz DHECXAONKZDWQA-RRPNLBNLSA-N -1 0 526.618 5.402 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224676249 571600955 /nfs/dbraw/zinc/60/09/55/571600955.db2.gz JJCPAFVMAXINRU-LQJZCPKCSA-N -1 0 588.733 7.774 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224055296 571603082 /nfs/dbraw/zinc/60/30/82/571603082.db2.gz YQMXGSRDQSCPMO-NSOVKSMOSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224706906 571607177 /nfs/dbraw/zinc/60/71/77/571607177.db2.gz DWODMQAUBAQUOM-AJQTZOPKSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224094519 571609132 /nfs/dbraw/zinc/60/91/32/571609132.db2.gz VQUHYIPSDBRGAP-URLMMPGGSA-N -1 0 567.715 6.267 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)cc2)cc1 ZINC000224741508 571612826 /nfs/dbraw/zinc/61/28/26/571612826.db2.gz MIRJCHYZRMYNKX-AJQTZOPKSA-N -1 0 590.705 7.165 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224775646 571615960 /nfs/dbraw/zinc/61/59/60/571615960.db2.gz SSMMXFUQGGDDOS-JSOSNVBQSA-N -1 0 621.744 7.424 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c(OC)c1 ZINC000224808420 571619059 /nfs/dbraw/zinc/61/90/59/571619059.db2.gz XJRFQBMHYHGVBQ-RRPNLBNLSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c(OC)c1 ZINC000224808722 571619116 /nfs/dbraw/zinc/61/91/16/571619116.db2.gz KYGBIFBZOISWSE-SVBPBHIXSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c(OC)c1 ZINC000224811766 571619403 /nfs/dbraw/zinc/61/94/03/571619403.db2.gz QBPDXYIYSUGSSK-IZLXSDGUSA-N -1 0 542.661 5.690 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c1 ZINC000224841423 571622358 /nfs/dbraw/zinc/62/23/58/571622358.db2.gz NOCBUXXOTFRGSH-SXOMAYOGSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224874401 571625643 /nfs/dbraw/zinc/62/56/43/571625643.db2.gz MANXTCNPOJPSRT-CLJLJLNGSA-N -1 0 533.053 6.032 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224901035 571628218 /nfs/dbraw/zinc/62/82/18/571628218.db2.gz GSGFIASQVVAUIQ-CLJLJLNGSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224901329 571628298 /nfs/dbraw/zinc/62/82/98/571628298.db2.gz YGPCJJOSBIIPKL-UIOOFZCWSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224903912 571628516 /nfs/dbraw/zinc/62/85/16/571628516.db2.gz OZLHUASTBDCREZ-SVBPBHIXSA-N -1 0 514.626 6.120 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224930879 571631134 /nfs/dbraw/zinc/63/11/34/571631134.db2.gz XHFWRNSUMZUDFF-CLJLJLNGSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224930707 571631177 /nfs/dbraw/zinc/63/11/77/571631177.db2.gz FFNIZNSUJINACQ-CLJLJLNGSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224988947 571636738 /nfs/dbraw/zinc/63/67/38/571636738.db2.gz GIRUMXXDAHEZPH-IOWSJCHKSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225075250 571644526 /nfs/dbraw/zinc/64/45/26/571644526.db2.gz UIQZBGYCDKOLSL-LQJZCPKCSA-N -1 0 617.731 6.382 40 10 KKCBRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)ccc1NC(=O)C(C)(C)C ZINC000225103795 571647554 /nfs/dbraw/zinc/64/75/54/571647554.db2.gz UFFFIGVKYYPENB-URLMMPGGSA-N -1 0 597.741 6.358 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225135045 571650601 /nfs/dbraw/zinc/65/06/01/571650601.db2.gz JLGZHYCYZNPKJA-FQLXRVMXSA-N -1 0 602.160 6.921 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225163008 571653559 /nfs/dbraw/zinc/65/35/59/571653559.db2.gz PHNQBUJQXSEPMQ-IHLOFXLRSA-N -1 0 567.715 6.330 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1OC ZINC000225188242 571656021 /nfs/dbraw/zinc/65/60/21/571656021.db2.gz XFMWHQCZNMFBFD-WDYNHAJCSA-N -1 0 569.687 5.722 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1C ZINC000225270522 571664992 /nfs/dbraw/zinc/66/49/92/571664992.db2.gz LEBABCCYOVQAJT-VMPREFPWSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225270931 571665030 /nfs/dbraw/zinc/66/50/30/571665030.db2.gz FLFALNPQIFRVFF-FQLXRVMXSA-N -1 0 569.687 5.258 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1NC(C)=O ZINC000225320318 571675354 /nfs/dbraw/zinc/67/53/54/571675354.db2.gz UAENIPZGRSNRHU-NSOVKSMOSA-N -1 0 555.660 5.331 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1NC(C)=O ZINC000225320506 571675908 /nfs/dbraw/zinc/67/59/08/571675908.db2.gz WFJWOCUCJMSILM-WUFINQPMSA-N -1 0 555.660 5.331 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1NC(C)=O ZINC000225322924 571678652 /nfs/dbraw/zinc/67/86/52/571678652.db2.gz WMRQGJYBAPORHN-URLMMPGGSA-N -1 0 569.687 5.640 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225345701 571705623 /nfs/dbraw/zinc/70/56/23/571705623.db2.gz CBPRGNKPXJBFPI-IZLXSDGUSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225458247 571829970 /nfs/dbraw/zinc/82/99/70/571829970.db2.gz GVAJMLDSEZQGMG-WUFINQPMSA-N -1 0 589.743 5.353 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000260914019 571843941 /nfs/dbraw/zinc/84/39/41/571843941.db2.gz FZSNRJPTUXVOEH-BAGWDXEUSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225508822 571879995 /nfs/dbraw/zinc/87/99/95/571879995.db2.gz ZKEXGIWCIMZPAO-WUFINQPMSA-N -1 0 539.661 5.107 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225572005 571933152 /nfs/dbraw/zinc/93/31/52/571933152.db2.gz SXCCKQDVMKMEKQ-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225572308 571933423 /nfs/dbraw/zinc/93/34/23/571933423.db2.gz PPXUPKRVWAURII-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225594991 571950240 /nfs/dbraw/zinc/95/02/40/571950240.db2.gz JWRDZURVYFDPPB-URLMMPGGSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225613108 571964632 /nfs/dbraw/zinc/96/46/32/571964632.db2.gz PLIBFCWDBNUSAK-WUFINQPMSA-N -1 0 557.651 5.328 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225668137 572010276 /nfs/dbraw/zinc/01/02/76/572010276.db2.gz AUSPSXIZTYKFLJ-WDYNHAJCSA-N -1 0 569.687 5.197 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225668033 572010411 /nfs/dbraw/zinc/01/04/11/572010411.db2.gz PXZHHFGDDIENRP-URLMMPGGSA-N -1 0 569.687 5.197 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225670102 572011611 /nfs/dbraw/zinc/01/16/11/572011611.db2.gz WUZUKICGNZRPNU-LOYHVIPDSA-N -1 0 583.714 5.506 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225687067 572023659 /nfs/dbraw/zinc/02/36/59/572023659.db2.gz NVMMBQPRHQDJJC-VMPREFPWSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225688910 572024779 /nfs/dbraw/zinc/02/47/79/572024779.db2.gz VWIYHTWOEPRQBM-XZWHSSHBSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225688861 572024781 /nfs/dbraw/zinc/02/47/81/572024781.db2.gz VWIYHTWOEPRQBM-LOYHVIPDSA-N -1 0 567.715 5.805 40 10 KKCBRM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225751550 572061226 /nfs/dbraw/zinc/06/12/26/572061226.db2.gz SSWQLILMEPJJMN-UHFFFAOYSA-N -1 0 500.601 5.143 40 10 KKCBRM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000226091829 572134782 /nfs/dbraw/zinc/13/47/82/572134782.db2.gz LTKDJLRVCRWTGO-SRZZPIQSSA-N -1 0 589.409 5.803 40 10 KKCBRM Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408526538 572157812 /nfs/dbraw/zinc/15/78/12/572157812.db2.gz CKDPJODTJTXWRN-KGENOOAVSA-N -1 0 579.451 5.712 40 10 KKCBRM Cc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1 ZINC000408526661 572157820 /nfs/dbraw/zinc/15/78/20/572157820.db2.gz BXQCNLUZIUDSIT-ZXVVBBHZSA-N -1 0 689.632 6.605 40 10 KKCBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1 ZINC000408526625 572157883 /nfs/dbraw/zinc/15/78/83/572157883.db2.gz CRXAUEOURNSJQM-PXLXIMEGSA-N -1 0 550.453 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNNc1ccc(I)cc1 ZINC000408526793 572158128 /nfs/dbraw/zinc/15/81/28/572158128.db2.gz CLMLXWWLTCACCA-KGENOOAVSA-N -1 0 661.338 5.605 40 10 KKCBRM CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c1C ZINC000408528010 572162345 /nfs/dbraw/zinc/16/23/45/572162345.db2.gz DUUWKUKMJWIYNI-KGENOOAVSA-N -1 0 566.500 5.329 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000408528371 572163790 /nfs/dbraw/zinc/16/37/90/572163790.db2.gz BBHGSXVGEJWZSA-MOSHPQCFSA-N -1 0 600.219 5.106 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408528450 572164551 /nfs/dbraw/zinc/16/45/51/572164551.db2.gz BIDHGXHJNJHSPM-ODLFYWEKSA-N -1 0 629.217 5.314 40 10 KKCBRM Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408528634 572165114 /nfs/dbraw/zinc/16/51/14/572165114.db2.gz BQHXAPYRHDKLHF-NDENLUEZSA-N -1 0 598.247 5.714 40 10 KKCBRM COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408529006 572166584 /nfs/dbraw/zinc/16/65/84/572166584.db2.gz GTBCQUDIOPTXLY-ZXVVBBHZSA-N -1 0 719.658 6.614 40 10 KKCBRM Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408529162 572167225 /nfs/dbraw/zinc/16/72/25/572167225.db2.gz HDRDJPGDEBBHDR-WPWMEQJKSA-N -1 0 580.645 5.444 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(C)cc2)C1=O ZINC000408529224 572167359 /nfs/dbraw/zinc/16/73/59/572167359.db2.gz CLOSWYYPHSHSLW-PDGQHHTCSA-N -1 0 614.246 5.414 40 10 KKCBRM Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)ccc1Br ZINC000408530532 572172309 /nfs/dbraw/zinc/17/23/09/572172309.db2.gz JCWCQGFBEVEKHB-WSNVDRGRSA-N -1 0 518.371 6.060 40 10 KKCBRM COc1cc(Br)ccc1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000408532581 572180293 /nfs/dbraw/zinc/18/02/93/572180293.db2.gz QJPATOVIZVKZCZ-JLPGSUDCSA-N -1 0 520.471 6.644 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408534482 572186036 /nfs/dbraw/zinc/18/60/36/572186036.db2.gz MCOCIYLANUTEFH-XSFVSMFZSA-N -1 0 549.377 5.042 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408534893 572187626 /nfs/dbraw/zinc/18/76/26/572187626.db2.gz MWALVJLEBDAJOB-NSFNGMEESA-N -1 0 630.676 6.150 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408535328 572188261 /nfs/dbraw/zinc/18/82/61/572188261.db2.gz NPVSIPMBODHBDU-NCHPMYSESA-N -1 0 596.777 5.296 40 10 KKCBRM O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408535362 572188274 /nfs/dbraw/zinc/18/82/74/572188274.db2.gz NTZRSNKKBAWWFD-WBDHZMATSA-N -1 0 507.329 5.279 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Br)cc1 ZINC000408535734 572189005 /nfs/dbraw/zinc/18/90/05/572189005.db2.gz OPGMILOWGVXBFV-ZDLGFXPLSA-N -1 0 774.985 6.464 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408535619 572189048 /nfs/dbraw/zinc/18/90/48/572189048.db2.gz OHGVLRXKHYHBBA-NSFNGMEESA-N -1 0 596.777 5.296 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408536508 572191152 /nfs/dbraw/zinc/19/11/52/572191152.db2.gz RRYHNOKUEWVVEJ-VIBAAIGISA-N -1 0 655.255 5.713 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1 ZINC000408536634 572191599 /nfs/dbraw/zinc/19/15/99/572191599.db2.gz AFEUHAIKKVJYHI-OGLMXYFKSA-N -1 0 657.119 6.970 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408536579 572191645 /nfs/dbraw/zinc/19/16/45/572191645.db2.gz AARFSVLNCQEARH-MTDXEUNCSA-N -1 0 671.544 7.071 40 10 KKCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408536615 572191770 /nfs/dbraw/zinc/19/17/70/572191770.db2.gz SGLJPLWGWXRCLL-WQRHYEAKSA-N -1 0 560.187 5.642 40 10 KKCBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C34CC5CC(CC(C5)C3)C4)c([N+](=O)[O-])c2)C1=O ZINC000408537046 572193450 /nfs/dbraw/zinc/19/34/50/572193450.db2.gz BZWWSLNADJHJNS-PXLXIMEGSA-N -1 0 593.478 5.966 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408537020 572193465 /nfs/dbraw/zinc/19/34/65/572193465.db2.gz UJCZOWISRDQKOA-UDWIEESQSA-N -1 0 539.371 5.586 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537381 572194210 /nfs/dbraw/zinc/19/42/10/572194210.db2.gz DGWBALRSNKZTIR-QQXSKIMKSA-N -1 0 661.538 7.615 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537545 572194841 /nfs/dbraw/zinc/19/48/41/572194841.db2.gz WEDVVWPTFGOAPX-ZDLGFXPLSA-N -1 0 741.086 5.610 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408537704 572195604 /nfs/dbraw/zinc/19/56/04/572195604.db2.gz GYILDZLMEADXKK-BOPFTXTBSA-N -1 0 584.294 6.780 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537747 572195821 /nfs/dbraw/zinc/19/58/21/572195821.db2.gz WZXAVFLHDWVUTH-ODLFYWEKSA-N -1 0 604.291 5.262 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408538160 572196938 /nfs/dbraw/zinc/19/69/38/572196938.db2.gz YXJZRZPULSSECJ-AXBPCONUSA-N -1 0 595.486 5.298 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538120 572196964 /nfs/dbraw/zinc/19/69/64/572196964.db2.gz JHRIHDPBJUEFHO-YZSQISJMSA-N -1 0 587.003 6.312 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538084 572197076 /nfs/dbraw/zinc/19/70/76/572197076.db2.gz IVTWVGSSYVWUOP-FMCGGJTJSA-N -1 0 712.380 7.598 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408538304 572197440 /nfs/dbraw/zinc/19/74/40/572197440.db2.gz KRESOBAAYAXTOS-VUTHCHCSSA-N -1 0 622.674 6.317 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408538317 572197496 /nfs/dbraw/zinc/19/74/96/572197496.db2.gz KYORJFYXIOGREJ-CVKSISIWSA-N -1 0 673.516 6.299 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538350 572198198 /nfs/dbraw/zinc/19/81/98/572198198.db2.gz LJPOKUPEUQXGHI-JVWAILMASA-N -1 0 643.092 6.580 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538354 572198214 /nfs/dbraw/zinc/19/82/14/572198214.db2.gz LKVPNFJZWQRUMU-JVWAILMASA-N -1 0 705.989 7.724 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538533 572198532 /nfs/dbraw/zinc/19/85/32/572198532.db2.gz OKNKDLYPHSXHAD-CVKSISIWSA-N -1 0 736.413 7.443 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538502 572198814 /nfs/dbraw/zinc/19/88/14/572198814.db2.gz NXRHKYPRXMFGQK-YUMHPJSZSA-N -1 0 643.092 6.667 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408538692 572199060 /nfs/dbraw/zinc/19/90/60/572199060.db2.gz PDWCCPGGOBLRQC-XHPQRKPJSA-N -1 0 577.475 6.654 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538907 572200003 /nfs/dbraw/zinc/20/00/03/572200003.db2.gz RECYIBFTCVGUQN-CFRMEGHHSA-N -1 0 726.407 7.988 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538889 572200053 /nfs/dbraw/zinc/20/00/53/572200053.db2.gz QYYFWMGXGHITTB-YBEGLDIGSA-N -1 0 525.816 6.281 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408539151 572201015 /nfs/dbraw/zinc/20/10/15/572201015.db2.gz UHBZGESNOGTLMU-GZTJUZNOSA-N -1 0 629.143 6.600 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408539127 572201095 /nfs/dbraw/zinc/20/10/95/572201095.db2.gz TXRTYNYLJCJREX-DIBXZPPDSA-N -1 0 592.604 5.306 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539133 572201121 /nfs/dbraw/zinc/20/11/21/572201121.db2.gz UAATVGMCXVWQOY-JVWAILMASA-N -1 0 689.534 7.210 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539124 572201139 /nfs/dbraw/zinc/20/11/39/572201139.db2.gz TWQXAMNNNXYFIO-QRQIAZFYSA-N -1 0 592.648 6.145 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539299 572201563 /nfs/dbraw/zinc/20/15/63/572201563.db2.gz GPPYEPJRXFDBSS-MYYYXRDXSA-N -1 0 615.107 6.347 40 10 KKCBRM COc1cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539583 572202624 /nfs/dbraw/zinc/20/26/24/572202624.db2.gz XTFUCJKBJCRURC-MIXAMLLLSA-N -1 0 562.622 6.136 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539757 572203276 /nfs/dbraw/zinc/20/32/76/572203276.db2.gz YPSFLQFQJUMGLX-DHRITJCHSA-N -1 0 665.957 8.178 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1OCC ZINC000408539790 572203345 /nfs/dbraw/zinc/20/33/45/572203345.db2.gz JSHJZQCZBYRCKJ-RDRPBHBLSA-N -1 0 715.199 7.759 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408539753 572203394 /nfs/dbraw/zinc/20/33/94/572203394.db2.gz YOKZJXSYADCANF-XDHOZWIPSA-N -1 0 563.876 6.435 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539906 572203783 /nfs/dbraw/zinc/20/37/83/572203783.db2.gz ZWQUXGRRBGQYSD-OVVQPSECSA-N -1 0 661.936 7.326 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540121 572204536 /nfs/dbraw/zinc/20/45/36/572204536.db2.gz NIIFGVXUDFWHQK-OYKKKHCWSA-N -1 0 665.957 8.178 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540354 572205339 /nfs/dbraw/zinc/20/53/39/572205339.db2.gz QPFLLLACNBBLIK-OYKKKHCWSA-N -1 0 619.526 6.991 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540480 572205866 /nfs/dbraw/zinc/20/58/66/572205866.db2.gz SIQNIVPFUVKNIS-VULFUBBASA-N -1 0 661.538 7.534 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540589 572206153 /nfs/dbraw/zinc/20/61/53/572206153.db2.gz UFSSZSNGTNKJFC-DIBXZPPDSA-N -1 0 627.491 6.672 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408540565 572206174 /nfs/dbraw/zinc/20/61/74/572206174.db2.gz UALQJXRJQZQBKR-NDZAJKAJSA-N -1 0 729.226 8.149 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408540630 572206454 /nfs/dbraw/zinc/20/64/54/572206454.db2.gz URNPQZPCFBIICO-RGEXLXHISA-N -1 0 531.472 5.638 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540842 572206958 /nfs/dbraw/zinc/20/69/58/572206958.db2.gz WJJIPEZZKNUJNQ-DIBXZPPDSA-N -1 0 583.040 6.563 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541459 572209036 /nfs/dbraw/zinc/20/90/36/572209036.db2.gz ZPFQLXBJCGKYSJ-IMRQLAEWSA-N -1 0 594.689 6.083 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408541746 572209378 /nfs/dbraw/zinc/20/93/78/572209378.db2.gz FQTGEGFETMTUJY-DEDYPNTBSA-N -1 0 548.382 5.449 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550052 572233309 /nfs/dbraw/zinc/23/33/09/572233309.db2.gz AYLBQOKFCGCTMP-VXLYETTFSA-N -1 0 602.858 6.038 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000408550344 572233834 /nfs/dbraw/zinc/23/38/34/572233834.db2.gz CXPWOAYJXQYOKM-NDENLUEZSA-N -1 0 628.465 5.483 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550357 572233906 /nfs/dbraw/zinc/23/39/06/572233906.db2.gz DALNQUVXGPGOLT-QGMBQPNBSA-N -1 0 681.754 6.800 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550287 572233923 /nfs/dbraw/zinc/23/39/23/572233923.db2.gz CIWBWQHUHJUNNM-APSNUPSMSA-N -1 0 749.172 6.987 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550622 572234583 /nfs/dbraw/zinc/23/45/83/572234583.db2.gz FVGUQHCABUQZTC-FMCGGJTJSA-N -1 0 685.347 7.563 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550714 572234714 /nfs/dbraw/zinc/23/47/14/572234714.db2.gz GRSVABLKUUDOKT-GIJQJNRQSA-N -1 0 588.831 5.648 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000408550806 572235035 /nfs/dbraw/zinc/23/50/35/572235035.db2.gz HKUGHMOBBAEDJB-NVMNQCDNSA-N -1 0 667.329 6.782 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408551674 572236481 /nfs/dbraw/zinc/23/64/81/572236481.db2.gz FHGPQLJXPHPJDM-DEDYPNTBSA-N -1 0 554.386 5.076 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000408551772 572236869 /nfs/dbraw/zinc/23/68/69/572236869.db2.gz FZIDYIPSFYJULF-UDWIEESQSA-N -1 0 646.911 6.518 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000408551863 572236876 /nfs/dbraw/zinc/23/68/76/572236876.db2.gz MZHIUIHAEIDZNS-JAIQZWGSSA-N -1 0 721.388 6.636 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552079 572237654 /nfs/dbraw/zinc/23/76/54/572237654.db2.gz HBZLWJPVXUKBMI-IUXPMGMMSA-N -1 0 609.249 5.993 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552524 572238678 /nfs/dbraw/zinc/23/86/78/572238678.db2.gz QMBMIHFAJRPMOE-MFOYZWKCSA-N -1 0 728.754 6.642 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552884 572239475 /nfs/dbraw/zinc/23/94/75/572239475.db2.gz RYWQDNAYHCUDTM-ZDLGFXPLSA-N -1 0 633.282 5.839 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553318 572240202 /nfs/dbraw/zinc/24/02/02/572240202.db2.gz UYYHCOYODSSGQQ-QGMBQPNBSA-N -1 0 637.303 6.691 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408554206 572241773 /nfs/dbraw/zinc/24/17/73/572241773.db2.gz QRJMIGBLBUORCZ-YVLHZVERSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555017 572242537 /nfs/dbraw/zinc/24/25/37/572242537.db2.gz UYQOEGWFJHSZQY-XYGWBWBKSA-N -1 0 616.457 6.256 40 10 KKCBRM Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408631735 572287875 /nfs/dbraw/zinc/28/78/75/572287875.db2.gz BISMHDQNLZZRNN-JMIUGGIZSA-N -1 0 520.825 7.322 40 10 KKCBRM Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1ccc(C)c(I)c1 ZINC000408631959 572288300 /nfs/dbraw/zinc/28/83/00/572288300.db2.gz BSBCGOHACGMVIV-NHDPSOOVSA-N -1 0 591.858 6.928 40 10 KKCBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408632197 572288423 /nfs/dbraw/zinc/28/84/23/572288423.db2.gz HXGVFHYYPVFXHD-UUYOSTAYSA-N -1 0 511.003 5.768 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632293 572288633 /nfs/dbraw/zinc/28/86/33/572288633.db2.gz ILQZQBPRUPDPSZ-MYYYXRDXSA-N -1 0 518.639 5.916 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])o1 ZINC000408633556 572290357 /nfs/dbraw/zinc/29/03/57/572290357.db2.gz NVVDBSRBRSHBQO-NHDPSOOVSA-N -1 0 516.406 6.677 40 10 KKCBRM Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000408634566 572291581 /nfs/dbraw/zinc/29/15/81/572291581.db2.gz RTENXQDNADVDSI-NDENLUEZSA-N -1 0 515.376 5.793 40 10 KKCBRM CCn1c(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634678 572291679 /nfs/dbraw/zinc/29/16/79/572291679.db2.gz WJWVRVQHKUFSGR-YDZHTSKRSA-N -1 0 539.614 5.099 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])o1 ZINC000408635147 572292194 /nfs/dbraw/zinc/29/21/94/572292194.db2.gz ZJQLMSUVMLGGHY-YUMHPJSZSA-N -1 0 558.059 7.691 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])o1 ZINC000408635273 572292459 /nfs/dbraw/zinc/29/24/59/572292459.db2.gz ZSUCSHSKSZIXMU-NHDPSOOVSA-N -1 0 526.958 5.932 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000260567390 572322604 /nfs/dbraw/zinc/32/26/04/572322604.db2.gz KZZZRINQZDYRSW-SKCQWOFPSA-N -1 0 500.426 6.160 40 10 KKCBRM CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)[N-]C2=S)cc1 ZINC000260573414 572322737 /nfs/dbraw/zinc/32/27/37/572322737.db2.gz YMXOVJTZRQCRSN-IERINAHZSA-N -1 0 505.684 5.726 40 10 KKCBRM O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000097957644 1069690728 /nfs/dbraw/zinc/69/07/28/1069690728.db2.gz WILPFKVTYXJQQV-PCLIKHOPSA-N -1 0 612.154 5.861 40 10 KKCBRM CCOc1ccccc1N=C(C)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100222539 1069696792 /nfs/dbraw/zinc/69/67/92/1069696792.db2.gz ZVHNUNSCXFRCPF-UQQQWYQISA-N -1 0 535.094 7.229 40 10 KKCBRM CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c1 ZINC000102686963 1069706736 /nfs/dbraw/zinc/70/67/36/1069706736.db2.gz DOFDEPFYSRKVBP-CJLVFECKSA-N -1 0 507.637 5.394 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(I)c1OCC ZINC000108422855 1069716787 /nfs/dbraw/zinc/71/67/87/1069716787.db2.gz WGORDHLCQMZSJQ-NVNXTCNLSA-N -1 0 554.768 5.246 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Br)c1OCC(C)C ZINC000108422946 1069716795 /nfs/dbraw/zinc/71/67/95/1069716795.db2.gz VBPROVGHENQKLD-IUXPMGMMSA-N -1 0 535.822 6.040 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000108423003 1069716836 /nfs/dbraw/zinc/71/68/36/1069716836.db2.gz LIQDSVSXPLZJFW-JAIQZWGSSA-N -1 0 525.388 6.475 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408809002 1069741732 /nfs/dbraw/zinc/74/17/32/1069741732.db2.gz HABWUTNTEIMRMJ-YDZHTSKRSA-N -1 0 533.024 6.218 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408813700 1069743066 /nfs/dbraw/zinc/74/30/66/1069743066.db2.gz RALLEOBENXLXBE-GIJQJNRQSA-N -1 0 655.247 6.381 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408808608 1069742321 /nfs/dbraw/zinc/74/23/21/1069742321.db2.gz JPZUXGCXNNJEOI-KEBDBYFISA-N -1 0 603.842 6.078 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408817117 1069743264 /nfs/dbraw/zinc/74/32/64/1069743264.db2.gz SYAMMHASKLPFDC-UXHLAJHPSA-N -1 0 619.073 7.326 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408821533 1069744113 /nfs/dbraw/zinc/74/41/13/1069744113.db2.gz IOQNLUHXDAOBLU-XKZIYDEJSA-N -1 0 599.392 7.719 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408830075 1069744334 /nfs/dbraw/zinc/74/43/34/1069744334.db2.gz NNURBQJMYOMSBY-SSDVNMTOSA-N -1 0 648.337 7.187 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408884584 1069749517 /nfs/dbraw/zinc/74/95/17/1069749517.db2.gz ZTYDSZITJPFYFR-GIJQJNRQSA-N -1 0 620.681 6.119 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408912992 1069754092 /nfs/dbraw/zinc/75/40/92/1069754092.db2.gz JFSAQNNKDPMEIN-OMCISZLKSA-N -1 0 598.639 6.794 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408916302 1069754180 /nfs/dbraw/zinc/75/41/80/1069754180.db2.gz BLADGUUICQNNGP-QQXSKIMKSA-N -1 0 543.595 5.783 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408937846 1069759888 /nfs/dbraw/zinc/75/98/88/1069759888.db2.gz PKOLLVYJUCTQFN-PCLIKHOPSA-N -1 0 587.003 6.312 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409089801 1069774348 /nfs/dbraw/zinc/77/43/48/1069774348.db2.gz KDHWHHDYJQJTKK-NTEUORMPSA-N -1 0 543.275 5.269 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408768167 1069872310 /nfs/dbraw/zinc/87/23/10/1069872310.db2.gz ULJGKNOLBQQKFW-RGVLZGJSSA-N -1 0 637.257 6.242 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408771186 1069870823 /nfs/dbraw/zinc/87/08/23/1069870823.db2.gz FXSSLILBPJEFAA-RGVLZGJSSA-N -1 0 632.330 5.639 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408771541 1069871543 /nfs/dbraw/zinc/87/15/43/1069871543.db2.gz IZDFAHYYFITIBX-CIAFOILYSA-N -1 0 569.839 6.055 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)c1 ZINC000408768885 1069873715 /nfs/dbraw/zinc/87/37/15/1069873715.db2.gz KXBHSJXLUWSLEE-ZMOGYAJESA-N -1 0 728.324 6.911 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C2=O)cc1 ZINC000408768972 1069875011 /nfs/dbraw/zinc/87/50/11/1069875011.db2.gz NFBXBYZMUPMRNP-WSDLNYQXSA-N -1 0 504.373 5.971 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(I)c3)C2=O)c1 ZINC000408769624 1069876846 /nfs/dbraw/zinc/87/68/46/1069876846.db2.gz XNTBKLJNSKVHEZ-KEBDBYFISA-N -1 0 649.254 6.055 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408776166 1069881672 /nfs/dbraw/zinc/88/16/72/1069881672.db2.gz USKOWSQUPMQQLP-VCHYOVAHSA-N -1 0 531.779 5.901 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)c1 ZINC000408772618 1069884578 /nfs/dbraw/zinc/88/45/78/1069884578.db2.gz PXGKFYNHQNOCQP-CIAFOILYSA-N -1 0 539.813 5.965 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1 ZINC000408775149 1069891935 /nfs/dbraw/zinc/89/19/35/1069891935.db2.gz ZJHQCUZISJHFHQ-QGMBQPNBSA-N -1 0 708.246 5.178 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408774673 1069890485 /nfs/dbraw/zinc/89/04/85/1069890485.db2.gz WZTWJEGBWUOFOK-CVKSISIWSA-N -1 0 551.559 5.473 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408777347 1069893888 /nfs/dbraw/zinc/89/38/88/1069893888.db2.gz YYHSGCKFWLQLIH-VXLYETTFSA-N -1 0 625.388 5.740 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(C)c4)c(I)c3)C2=O)cc1 ZINC000408780699 1069904500 /nfs/dbraw/zinc/90/45/00/1069904500.db2.gz IJFHOSXIZRAFEM-RGVLZGJSSA-N -1 0 631.264 5.916 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1 ZINC000408780780 1069904526 /nfs/dbraw/zinc/90/45/26/1069904526.db2.gz KFIZXVODUSGJPR-VXLYETTFSA-N -1 0 682.227 5.589 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408782072 1069906127 /nfs/dbraw/zinc/90/61/27/1069906127.db2.gz VMXJFNOQSMHIBF-REZTVBANSA-N -1 0 659.545 7.417 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408783846 1069910837 /nfs/dbraw/zinc/91/08/37/1069910837.db2.gz RSJWFHYEJFFNKZ-OGLMXYFKSA-N -1 0 598.497 6.719 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)c1 ZINC000408783734 1069910862 /nfs/dbraw/zinc/91/08/62/1069910862.db2.gz PZWVNUKVKJVUOJ-LPYMAVHISA-N -1 0 584.264 6.074 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408781483 1069916259 /nfs/dbraw/zinc/91/62/59/1069916259.db2.gz AXLOOVVDWITTAX-HYARGMPZSA-N -1 0 585.365 7.411 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408789100 1069917640 /nfs/dbraw/zinc/91/76/40/1069917640.db2.gz JHNTZSUVGXAUIB-WCMJOSRZSA-N -1 0 563.767 7.010 40 10 KKCBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C(=O)[N-]C1=S ZINC000408786238 1069920487 /nfs/dbraw/zinc/92/04/87/1069920487.db2.gz HRKRAORYQVDFBG-RCCKNPSSSA-N -1 0 547.702 5.215 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408786160 1069920536 /nfs/dbraw/zinc/92/05/36/1069920536.db2.gz FWWOAZYXFYYKLH-VXLYETTFSA-N -1 0 662.234 5.516 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408786940 1069922948 /nfs/dbraw/zinc/92/29/48/1069922948.db2.gz YDUPINXKNZWNHB-DJKKODMXSA-N -1 0 604.284 6.627 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408794665 1069927281 /nfs/dbraw/zinc/92/72/81/1069927281.db2.gz AOEGWMUVGNTDMQ-OEAKJJBVSA-N -1 0 575.448 7.099 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408796604 1069930839 /nfs/dbraw/zinc/93/08/39/1069930839.db2.gz ARWNOGHWNHRSSN-HYARGMPZSA-N -1 0 628.273 5.634 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408798434 1069933069 /nfs/dbraw/zinc/93/30/69/1069933069.db2.gz FDQYBGBWSPVJSD-QGMBQPNBSA-N -1 0 550.225 6.854 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408799958 1069935356 /nfs/dbraw/zinc/93/53/56/1069935356.db2.gz MAWJXMCIWHUOIA-YBFXNURJSA-N -1 0 604.284 6.708 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408800635 1069936830 /nfs/dbraw/zinc/93/68/30/1069936830.db2.gz QHMBOGBQDDLDPQ-UDWIEESQSA-N -1 0 525.388 5.864 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000408801219 1069938507 /nfs/dbraw/zinc/93/85/07/1069938507.db2.gz SJSMBAJDXVMHKF-BUVRLJJBSA-N -1 0 541.947 5.955 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408801272 1069938712 /nfs/dbraw/zinc/93/87/12/1069938712.db2.gz UOYZMSUKUGOKQC-UFWORHAWSA-N -1 0 580.251 6.944 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408801377 1069939640 /nfs/dbraw/zinc/93/96/40/1069939640.db2.gz AIHRNHHFQZNPRR-BUVRLJJBSA-N -1 0 533.422 5.874 40 10 KKCBRM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408799837 1069935568 /nfs/dbraw/zinc/93/55/68/1069935568.db2.gz LUSATVHERLENKE-RUMWWMSVSA-N -1 0 568.629 6.973 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408800435 1069936203 /nfs/dbraw/zinc/93/62/03/1069936203.db2.gz PKHNANZQXRGRMZ-UFFVCSGVSA-N -1 0 539.415 6.173 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C1=O ZINC000408802799 1069945743 /nfs/dbraw/zinc/94/57/43/1069945743.db2.gz HOZQPPHJTHSKPA-WOJGMQOQSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000408807257 1069944325 /nfs/dbraw/zinc/94/43/25/1069944325.db2.gz KUABEUDVDQTGNG-NDZAJKAJSA-N -1 0 603.074 7.626 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408802206 1069944410 /nfs/dbraw/zinc/94/44/10/1069944410.db2.gz YMJGLPLFXBZSSJ-YZSQISJMSA-N -1 0 537.528 5.392 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408804579 1069950762 /nfs/dbraw/zinc/95/07/62/1069950762.db2.gz AXNKAWNKWXSMAR-SRZZPIQSSA-N -1 0 640.317 7.472 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408803515 1069947405 /nfs/dbraw/zinc/94/74/05/1069947405.db2.gz PXHJFMDGHBNWLX-WGOQTCKBSA-N -1 0 690.490 6.265 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408805234 1069952595 /nfs/dbraw/zinc/95/25/95/1069952595.db2.gz FCWYPNHUAQMKCQ-CIAFOILYSA-N -1 0 660.848 5.375 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408806327 1069955942 /nfs/dbraw/zinc/95/59/42/1069955942.db2.gz MOXOAFNASNYQNQ-MTDXEUNCSA-N -1 0 583.040 6.563 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408805815 1069954382 /nfs/dbraw/zinc/95/43/82/1069954382.db2.gz HUHQOPWPJWFLIP-JVWAILMASA-N -1 0 645.481 6.811 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408807911 1069957970 /nfs/dbraw/zinc/95/79/70/1069957970.db2.gz PDHJIYRXHUAJED-WGOQTCKBSA-N -1 0 660.464 6.124 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408810933 1069965266 /nfs/dbraw/zinc/96/52/66/1069965266.db2.gz QGFRCOHOPANJIM-ZMOGYAJESA-N -1 0 682.354 7.589 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408809217 1069961448 /nfs/dbraw/zinc/96/14/48/1069961448.db2.gz NMJGLLJVPRFFHK-RQZCQDPDSA-N -1 0 517.752 5.598 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408811913 1069966869 /nfs/dbraw/zinc/96/68/69/1069966869.db2.gz ORLCPLMGIGQRBS-CIAFOILYSA-N -1 0 614.411 5.691 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408813440 1069967670 /nfs/dbraw/zinc/96/76/70/1069967670.db2.gz UIHSPHOTKLEYJY-RGVLZGJSSA-N -1 0 571.811 5.365 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408812459 1069968620 /nfs/dbraw/zinc/96/86/20/1069968620.db2.gz MYVHBCVEXKQOPD-HYARGMPZSA-N -1 0 562.365 6.300 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408812608 1069968697 /nfs/dbraw/zinc/96/86/97/1069968697.db2.gz WZNIZLHUOGFZRR-LPYMAVHISA-N -1 0 539.371 5.416 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408815616 1069971026 /nfs/dbraw/zinc/97/10/26/1069971026.db2.gz XKEAHRZPTLKUKL-YZSQISJMSA-N -1 0 520.585 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408816592 1069972344 /nfs/dbraw/zinc/97/23/44/1069972344.db2.gz YYWDVUNMQDPONL-YBFXNURJSA-N -1 0 527.360 5.343 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408816764 1069973198 /nfs/dbraw/zinc/97/31/98/1069973198.db2.gz UOANPFDYQXUYKQ-YDZHTSKRSA-N -1 0 586.398 6.064 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000408817495 1069974669 /nfs/dbraw/zinc/97/46/69/1069974669.db2.gz XTEJKAWOUZKNOT-LPYMAVHISA-N -1 0 534.468 6.445 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)c1C ZINC000408817621 1069974869 /nfs/dbraw/zinc/97/48/69/1069974869.db2.gz UGFFIAVGBYUJAU-DEDYPNTBSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408817915 1069975503 /nfs/dbraw/zinc/97/55/03/1069975503.db2.gz UVAUQNHJDQEMBV-HZHRSRAPSA-N -1 0 535.394 5.402 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408813901 1069979066 /nfs/dbraw/zinc/97/90/66/1069979066.db2.gz YWPKNMJJXGPMSS-ZVHZXABRSA-N -1 0 593.474 6.109 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000408814455 1069980424 /nfs/dbraw/zinc/98/04/24/1069980424.db2.gz VPIANOBTWVMZFO-FYJGNVAPSA-N -1 0 505.914 5.110 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408822427 1069982469 /nfs/dbraw/zinc/98/24/69/1069982469.db2.gz BQFVJCPFBARXRM-VULFUBBASA-N -1 0 692.906 6.844 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408822692 1069984154 /nfs/dbraw/zinc/98/41/54/1069984154.db2.gz CRRGHCWPJSANQC-GIJQJNRQSA-N -1 0 707.861 5.514 40 10 KKCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408822697 1069984411 /nfs/dbraw/zinc/98/44/11/1069984411.db2.gz CRSFUGCYQFVIOL-UDWIEESQSA-N -1 0 541.387 5.646 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408823304 1069987708 /nfs/dbraw/zinc/98/77/08/1069987708.db2.gz NQIRKPZIINUZTD-NVMNQCDNSA-N -1 0 670.809 6.526 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408823799 1069988950 /nfs/dbraw/zinc/98/89/50/1069988950.db2.gz GHEDMFGTIMSPJK-MLZSFLRQSA-N -1 0 788.344 10.323 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408824114 1069990850 /nfs/dbraw/zinc/99/08/50/1069990850.db2.gz PMUKOFKFHRLZTO-SRZZPIQSSA-N -1 0 541.456 6.029 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408819609 1069992136 /nfs/dbraw/zinc/99/21/36/1069992136.db2.gz ZPKLCKXWZXXABS-RGVLZGJSSA-N -1 0 634.708 6.509 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408819611 1069992286 /nfs/dbraw/zinc/99/22/86/1069992286.db2.gz ZQKRBRSYKBUAMX-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408821044 1069995292 /nfs/dbraw/zinc/99/52/92/1069995292.db2.gz BUNLESHXRKPYOJ-IUXPMGMMSA-N -1 0 701.779 6.126 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408821289 1069996801 /nfs/dbraw/zinc/99/68/01/1069996801.db2.gz FSHXSBMJMIVSDS-WPWMEQJKSA-N -1 0 573.432 6.818 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)C3=O)cc2)cc1 ZINC000408821372 1069997047 /nfs/dbraw/zinc/99/70/47/1069997047.db2.gz GVFFWECLXQEHNT-RDRPBHBLSA-N -1 0 563.566 5.728 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408821587 1069998560 /nfs/dbraw/zinc/99/85/60/1069998560.db2.gz JESXAFWVUVVAKO-ZDLGFXPLSA-N -1 0 614.201 7.020 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408824286 1069999260 /nfs/dbraw/zinc/99/92/60/1069999260.db2.gz GOLSGMYDNZATNZ-JFLMPSFJSA-N -1 0 672.488 6.499 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408826906 1070005001 /nfs/dbraw/zinc/00/50/01/1070005001.db2.gz LSWFRUKYUSXPDF-JVWAILMASA-N -1 0 614.010 6.081 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc(I)c1OCc1c(C)ccc2ccccc21 ZINC000408827092 1070005298 /nfs/dbraw/zinc/00/52/98/1070005298.db2.gz MDDCLYHWCNBQIC-FDAWAROLSA-N -1 0 817.474 8.738 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408827207 1070006380 /nfs/dbraw/zinc/00/63/80/1070006380.db2.gz CNAWAOMVYBERFV-YGCODWISSA-N -1 0 720.782 7.726 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408827886 1070008524 /nfs/dbraw/zinc/00/85/24/1070008524.db2.gz KXJROOXFBRXWIQ-JFLMPSFJSA-N -1 0 787.832 7.930 40 10 KKCBRM CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408828138 1070009163 /nfs/dbraw/zinc/00/91/63/1070009163.db2.gz VUAPNWPBCFWXPN-HZHRSRAPSA-N -1 0 525.388 6.028 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2)cc1 ZINC000408825381 1070013169 /nfs/dbraw/zinc/01/31/69/1070013169.db2.gz BGDCTSPVQVZVNM-RDRPBHBLSA-N -1 0 553.014 6.473 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408825419 1070013190 /nfs/dbraw/zinc/01/31/90/1070013190.db2.gz BHODYRLXAFOLDF-OGLMXYFKSA-N -1 0 597.067 6.790 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408831413 1070021191 /nfs/dbraw/zinc/02/11/91/1070021191.db2.gz ZONOLOCUWWWZRR-UUYOSTAYSA-N -1 0 687.896 8.227 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408836387 1070026568 /nfs/dbraw/zinc/02/65/68/1070026568.db2.gz QTMVRXOUOUMABD-KEIPNQJHSA-N -1 0 673.552 9.124 40 10 KKCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000408832031 1070022600 /nfs/dbraw/zinc/02/26/00/1070022600.db2.gz PRVBBCQFLSFMKA-BUVRLJJBSA-N -1 0 535.394 5.482 40 10 KKCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408832819 1070024433 /nfs/dbraw/zinc/02/44/33/1070024433.db2.gz ROBDMCPSEKUNNV-OVVQPSECSA-N -1 0 506.558 5.792 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408832802 1070024497 /nfs/dbraw/zinc/02/44/97/1070024497.db2.gz RIZBHLSVBPDXDL-VULFUBBASA-N -1 0 731.224 8.343 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Br)c3)C2=O)c(OC)cc1Cl ZINC000408832834 1070024655 /nfs/dbraw/zinc/02/46/55/1070024655.db2.gz RVLGXXVBYPMMFN-VCHYOVAHSA-N -1 0 585.838 5.674 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408832912 1070025311 /nfs/dbraw/zinc/02/53/11/1070025311.db2.gz QXKYWRNLWIAJJE-LGJNPRDNSA-N -1 0 696.381 7.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408836323 1070027016 /nfs/dbraw/zinc/02/70/16/1070027016.db2.gz PYURDDKELHEMAC-ZCTHSVRISA-N -1 0 712.394 8.189 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OC ZINC000408836745 1070028379 /nfs/dbraw/zinc/02/83/79/1070028379.db2.gz UZSPIVLPKZCFLL-LPYMAVHISA-N -1 0 599.865 6.145 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408834254 1070032743 /nfs/dbraw/zinc/03/27/43/1070032743.db2.gz VMRJHPPDSJEXSY-LPYMAVHISA-N -1 0 635.898 6.827 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408834311 1070033462 /nfs/dbraw/zinc/03/34/62/1070033462.db2.gz VRFCKGVMEJVWEM-CHHVJCJISA-N -1 0 604.195 7.564 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Br ZINC000408834436 1070033489 /nfs/dbraw/zinc/03/34/89/1070033489.db2.gz UWRZJFULKRMCJD-RGVLZGJSSA-N -1 0 590.257 6.400 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c(OC)c1 ZINC000408835214 1070036308 /nfs/dbraw/zinc/03/63/08/1070036308.db2.gz NHBLDHKKJYAIDH-SRZZPIQSSA-N -1 0 527.360 5.256 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408843938 1070049715 /nfs/dbraw/zinc/04/97/15/1070049715.db2.gz HODAZPLFRAVCHY-MHWRWJLKSA-N -1 0 627.262 6.147 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408848134 1070056904 /nfs/dbraw/zinc/05/69/04/1070056904.db2.gz PZAASKJXCZTNNK-AWNIVKPZSA-N -1 0 665.607 8.126 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408852180 1070059050 /nfs/dbraw/zinc/05/90/50/1070059050.db2.gz JBWFXGPWNMWUMG-NTEUORMPSA-N -1 0 521.751 5.652 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408852163 1070059129 /nfs/dbraw/zinc/05/91/29/1070059129.db2.gz CRWWXQJWRFLIIJ-MKMNVTDBSA-N -1 0 804.058 7.920 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1C ZINC000408849771 1070063332 /nfs/dbraw/zinc/06/33/32/1070063332.db2.gz YVPCUZNSTSKTMY-KEBDBYFISA-N -1 0 712.709 6.411 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 ZINC000408850878 1070065123 /nfs/dbraw/zinc/06/51/23/1070065123.db2.gz FGAPJIOIWPVGKL-CPNJWEJPSA-N -1 0 542.444 5.409 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000408851310 1070065563 /nfs/dbraw/zinc/06/55/63/1070065563.db2.gz BFLQNKCHRGGXGB-OQLLNIDSSA-N -1 0 657.288 6.156 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408856824 1070066897 /nfs/dbraw/zinc/06/68/97/1070066897.db2.gz LKQVDOFSBBWRBN-MHWRWJLKSA-N -1 0 580.262 6.305 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408853900 1070071079 /nfs/dbraw/zinc/07/10/79/1070071079.db2.gz ZJBHLTKGHHNPKM-REZTVBANSA-N -1 0 637.213 5.572 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408853720 1070071148 /nfs/dbraw/zinc/07/11/48/1070071148.db2.gz WZUFCYLNSRMHIH-DEDYPNTBSA-N -1 0 554.886 6.790 40 10 KKCBRM CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000408858444 1070069955 /nfs/dbraw/zinc/06/99/55/1070069955.db2.gz ZCAYXVWYNXKBMI-IZZDOVSWSA-N -1 0 548.231 5.073 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408856585 1070067241 /nfs/dbraw/zinc/06/72/41/1070067241.db2.gz KRIIKYHDGUZGKO-AWNIVKPZSA-N -1 0 710.058 8.236 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000408853766 1070070989 /nfs/dbraw/zinc/07/09/89/1070070989.db2.gz RLBSJRWGAXAQOZ-OVCLIPMQSA-N -1 0 614.707 6.959 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(I)cc3)C2=O)cc1C ZINC000408859590 1070075669 /nfs/dbraw/zinc/07/56/69/1070075669.db2.gz VJTVIHRJKLPSOG-LPYMAVHISA-N -1 0 631.264 5.916 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2I)c1 ZINC000408854819 1070073417 /nfs/dbraw/zinc/07/34/17/1070073417.db2.gz BURYKOUMYSXBGC-LPYMAVHISA-N -1 0 566.395 5.462 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000408860075 1070076375 /nfs/dbraw/zinc/07/63/75/1070076375.db2.gz XWCGHXWEJBZOCB-OVCLIPMQSA-N -1 0 814.064 7.375 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408860247 1070077030 /nfs/dbraw/zinc/07/70/30/1070077030.db2.gz ZGAMIVSXOFANSP-UXBLZVDNSA-N -1 0 579.097 5.748 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408865959 1070084778 /nfs/dbraw/zinc/08/47/78/1070084778.db2.gz FAYZLUOXJMHRCZ-OEAKJJBVSA-N -1 0 523.814 5.977 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408866385 1070085436 /nfs/dbraw/zinc/08/54/36/1070085436.db2.gz IAHKLESJYDTZIA-FYJGNVAPSA-N -1 0 523.814 5.922 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408866714 1070086231 /nfs/dbraw/zinc/08/62/31/1070086231.db2.gz ICZQMULTMCWVPN-LPYMAVHISA-N -1 0 519.395 5.332 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(Cc2ccccc2Cl)ccc2ccccc21 ZINC000408868747 1070089842 /nfs/dbraw/zinc/08/98/42/1070089842.db2.gz PYTZUKVLUMGPGH-CJLVFECKSA-N -1 0 501.369 6.404 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3Cl)C2=O)cc1 ZINC000408869375 1070091355 /nfs/dbraw/zinc/09/13/55/1070091355.db2.gz CLOORIHHWQICLH-PXLXIMEGSA-N -1 0 523.814 5.922 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408869602 1070091903 /nfs/dbraw/zinc/09/19/03/1070091903.db2.gz STJUHTAKDZNXSV-BKUYFWCQSA-N -1 0 530.939 5.886 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408869664 1070092188 /nfs/dbraw/zinc/09/21/88/1070092188.db2.gz SSVBEYAVYFNFKN-UNOMPAQXSA-N -1 0 572.278 5.622 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Br)c1 ZINC000408871307 1070095354 /nfs/dbraw/zinc/09/53/54/1070095354.db2.gz WWEVLRYYSPZVFS-YBFXNURJSA-N -1 0 574.656 6.122 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408872096 1070096402 /nfs/dbraw/zinc/09/64/02/1070096402.db2.gz KIHCOMNZYXSRBM-FYJGNVAPSA-N -1 0 570.358 5.086 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000408871965 1070096444 /nfs/dbraw/zinc/09/64/44/1070096444.db2.gz INPPRKYRUYJPSO-NDENLUEZSA-N -1 0 569.839 5.919 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408871894 1070096633 /nfs/dbraw/zinc/09/66/33/1070096633.db2.gz ZCHNRJYPSXHYTB-XKZIYDEJSA-N -1 0 535.463 5.497 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408872322 1070097298 /nfs/dbraw/zinc/09/72/98/1070097298.db2.gz DAXPMFYCJBHZBE-VCHYOVAHSA-N -1 0 529.807 6.221 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408872859 1070098334 /nfs/dbraw/zinc/09/83/34/1070098334.db2.gz KGJMVHIONPQAKG-UDWIEESQSA-N -1 0 570.358 5.005 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408872872 1070098410 /nfs/dbraw/zinc/09/84/10/1070098410.db2.gz KLDJUFMDPOOTKD-CIAFOILYSA-N -1 0 553.840 6.067 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408872915 1070098591 /nfs/dbraw/zinc/09/85/91/1070098591.db2.gz LHKCKTBZVIPELC-ZVHZXABRSA-N -1 0 591.458 5.508 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Cc2cccc(F)c2)C1=O ZINC000408874084 1070100797 /nfs/dbraw/zinc/10/07/97/1070100797.db2.gz YHERXYNJADSFEB-CIAFOILYSA-N -1 0 527.777 5.807 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000408874491 1070101654 /nfs/dbraw/zinc/10/16/54/1070101654.db2.gz COSKKKVOOVWNRW-OEAKJJBVSA-N -1 0 502.954 5.001 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(Cc2ccccc2Cl)ccc2ccccc21 ZINC000408874595 1070102352 /nfs/dbraw/zinc/10/23/52/1070102352.db2.gz CGZJSUWNCDBTNL-PXLXIMEGSA-N -1 0 535.814 7.057 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408879685 1070104004 /nfs/dbraw/zinc/10/40/04/1070104004.db2.gz DPWCVGHAYPLMNZ-KEBDBYFISA-N -1 0 513.352 5.707 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1Cc1ccccc1F ZINC000408875640 1070108136 /nfs/dbraw/zinc/10/81/36/1070108136.db2.gz GPJQOZBPQZPPJM-JVWAILMASA-N -1 0 676.482 6.665 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408875963 1070108601 /nfs/dbraw/zinc/10/86/01/1070108601.db2.gz MRNSNFHHQNUALC-JVWAILMASA-N -1 0 629.482 6.823 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408876243 1070109464 /nfs/dbraw/zinc/10/94/64/1070109464.db2.gz ODIZIYHWXUXFPP-ODLFYWEKSA-N -1 0 525.399 5.019 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408880593 1070109534 /nfs/dbraw/zinc/10/95/34/1070109534.db2.gz JZKQMRSTQJPNHA-CIAFOILYSA-N -1 0 645.291 6.018 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2Br)C1=O ZINC000408876761 1070110261 /nfs/dbraw/zinc/11/02/61/1070110261.db2.gz NKZCZDWAAYLCBJ-QNGOZBTKSA-N -1 0 523.814 5.922 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Cc2ccccc2Br)c1 ZINC000408877479 1070111990 /nfs/dbraw/zinc/11/19/90/1070111990.db2.gz RUWJHSCZLPYJDO-FYJGNVAPSA-N -1 0 539.813 5.677 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1Cc1ccccc1Br ZINC000408878012 1070113607 /nfs/dbraw/zinc/11/36/07/1070113607.db2.gz YTFKNPFZXBAQSU-KGENOOAVSA-N -1 0 519.395 5.413 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408883581 1070116783 /nfs/dbraw/zinc/11/67/83/1070116783.db2.gz UYPFYZXCHXODLM-KEBDBYFISA-N -1 0 632.736 6.829 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408884804 1070119243 /nfs/dbraw/zinc/11/92/43/1070119243.db2.gz ZUYHMDMISDXLQO-CVKSISIWSA-N -1 0 676.361 7.056 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408885362 1070120944 /nfs/dbraw/zinc/12/09/44/1070120944.db2.gz ZXVWEUJOJWTVLR-RGVLZGJSSA-N -1 0 529.749 5.487 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408885253 1070120955 /nfs/dbraw/zinc/12/09/55/1070120955.db2.gz YQVQAPDSCDKOCS-LPYMAVHISA-N -1 0 566.395 5.174 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408881430 1070124101 /nfs/dbraw/zinc/12/41/01/1070124101.db2.gz LAWFPXAYGKMMTA-GZTJUZNOSA-N -1 0 573.802 5.886 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccccc2F)c1 ZINC000408883031 1070128495 /nfs/dbraw/zinc/12/84/95/1070128495.db2.gz QCCGYZPSQPKCQY-VCHYOVAHSA-N -1 0 515.324 5.387 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408888510 1070130289 /nfs/dbraw/zinc/13/02/89/1070130289.db2.gz WHMIRUWIYXJPJY-SSDVNMTOSA-N -1 0 644.893 6.514 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408891097 1070133842 /nfs/dbraw/zinc/13/38/42/1070133842.db2.gz LKEGBNAGOJTFRU-XDHOZWIPSA-N -1 0 569.839 6.055 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408886101 1070135478 /nfs/dbraw/zinc/13/54/78/1070135478.db2.gz DHZSOSRWJCFHBC-YDZHTSKRSA-N -1 0 654.457 5.339 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408887593 1070138701 /nfs/dbraw/zinc/13/87/01/1070138701.db2.gz PECORJRASKCWLP-YDZHTSKRSA-N -1 0 534.996 5.610 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)cc2)C1=O ZINC000408893603 1070140286 /nfs/dbraw/zinc/14/02/86/1070140286.db2.gz GGJUCIZFIMRKOG-CPNJWEJPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Br)C2=O)c1C ZINC000408894664 1070143550 /nfs/dbraw/zinc/14/35/50/1070143550.db2.gz KDQASMVDYZPVSN-XSFVSMFZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408893572 1070140448 /nfs/dbraw/zinc/14/04/48/1070140448.db2.gz BEWDNHOWBWZSNI-ONUIUJJFSA-N -1 0 533.024 6.381 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)C1=O ZINC000408895505 1070146811 /nfs/dbraw/zinc/14/68/11/1070146811.db2.gz HYHUIPOKFQYKTE-NDENLUEZSA-N -1 0 649.133 6.528 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408895569 1070147687 /nfs/dbraw/zinc/14/76/87/1070147687.db2.gz IFTWLLDMIDWBRI-BKUYFWCQSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408896812 1070151794 /nfs/dbraw/zinc/15/17/94/1070151794.db2.gz LHGKMCVYLMCZCC-BKUYFWCQSA-N -1 0 584.264 6.074 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408892652 1070153672 /nfs/dbraw/zinc/15/36/72/1070153672.db2.gz CJDGYPNJAAFWDC-XDHOZWIPSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408893278 1070155232 /nfs/dbraw/zinc/15/52/32/1070155232.db2.gz DNPXVSSCUQCXOA-XKZIYDEJSA-N -1 0 521.038 5.766 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O ZINC000408899357 1070156730 /nfs/dbraw/zinc/15/67/30/1070156730.db2.gz TZIPIJXECGOMTL-NDENLUEZSA-N -1 0 604.682 6.419 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408893451 1070155998 /nfs/dbraw/zinc/15/59/98/1070155998.db2.gz GESIMDCKQHKUPJ-KGENOOAVSA-N -1 0 551.813 7.045 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408899424 1070157911 /nfs/dbraw/zinc/15/79/11/1070157911.db2.gz PENWZHFOZWSILU-MYYYXRDXSA-N -1 0 607.501 6.499 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3Br)C2=O)cc1 ZINC000408900442 1070163300 /nfs/dbraw/zinc/16/33/00/1070163300.db2.gz SNFYFLCBWFTEDN-KQWNVCNZSA-N -1 0 628.317 6.636 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408900510 1070163328 /nfs/dbraw/zinc/16/33/28/1070163328.db2.gz TZGGDEDEBKQRCZ-XYGWBWBKSA-N -1 0 500.551 5.038 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408900787 1070165045 /nfs/dbraw/zinc/16/50/45/1070165045.db2.gz VARMZCCIQXWCFD-PKAZHMFMSA-N -1 0 629.507 7.035 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408897211 1070170966 /nfs/dbraw/zinc/17/09/66/1070170966.db2.gz QTQDAEHQTYTFAI-CIAFOILYSA-N -1 0 597.393 5.019 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408902034 1070171732 /nfs/dbraw/zinc/17/17/32/1070171732.db2.gz DUHBVANUNKMUQI-VXLYETTFSA-N -1 0 647.251 5.043 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408901405 1070167742 /nfs/dbraw/zinc/16/77/42/1070167742.db2.gz XVIQUTFJNIFKRY-KQWNVCNZSA-N -1 0 522.960 5.903 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408901575 1070168448 /nfs/dbraw/zinc/16/84/48/1070168448.db2.gz YXFIGOCZOLIJBI-HAHDFKILSA-N -1 0 628.317 6.636 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408897756 1070172440 /nfs/dbraw/zinc/17/24/40/1070172440.db2.gz SYJUAUIBOWFHMP-HYARGMPZSA-N -1 0 535.358 6.531 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408902561 1070184125 /nfs/dbraw/zinc/18/41/25/1070184125.db2.gz JYKGHILGPABFSH-VCHYOVAHSA-N -1 0 516.754 5.316 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408902990 1070184917 /nfs/dbraw/zinc/18/49/17/1070184917.db2.gz TYABZGKVMNXSNZ-UDWIEESQSA-N -1 0 652.329 6.737 40 10 KKCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000408903465 1070187194 /nfs/dbraw/zinc/18/71/94/1070187194.db2.gz YGUAENSALGIPAZ-RGVLZGJSSA-N -1 0 570.237 6.295 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408910886 1070202773 /nfs/dbraw/zinc/20/27/73/1070202773.db2.gz LUOGPRJPLNQBGF-GIJQJNRQSA-N -1 0 608.247 6.539 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408916774 1070221667 /nfs/dbraw/zinc/22/16/67/1070221667.db2.gz HEXXPGMOUASXFH-BKUYFWCQSA-N -1 0 555.425 5.397 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408918159 1070230734 /nfs/dbraw/zinc/23/07/34/1070230734.db2.gz GZSJLAMEISNQTP-IWIPYMOSSA-N -1 0 527.533 5.297 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408933566 1070266310 /nfs/dbraw/zinc/26/63/10/1070266310.db2.gz AVCJJEWDJYNKOH-LGJNPRDNSA-N -1 0 761.371 7.960 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1O ZINC000408934505 1070269554 /nfs/dbraw/zinc/26/95/54/1070269554.db2.gz DVJUESMTWSCKFS-VCHYOVAHSA-N -1 0 557.784 5.062 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408935031 1070271658 /nfs/dbraw/zinc/27/16/58/1070271658.db2.gz GBFAVNXOAFBAQA-LQKURTRISA-N -1 0 736.990 7.785 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408935049 1070271946 /nfs/dbraw/zinc/27/19/46/1070271946.db2.gz CDHHYJICPRLHGW-YBFXNURJSA-N -1 0 584.354 5.141 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408935935 1070275205 /nfs/dbraw/zinc/27/52/05/1070275205.db2.gz IYTGTUIFYCBQAB-DHRITJCHSA-N -1 0 625.867 7.610 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408936460 1070276552 /nfs/dbraw/zinc/27/65/52/1070276552.db2.gz JYBLGDIAKIBWKQ-WQRHYEAKSA-N -1 0 501.753 5.892 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408939481 1070283089 /nfs/dbraw/zinc/28/30/89/1070283089.db2.gz SSJUGXPMQNBMDY-WPWMEQJKSA-N -1 0 637.497 6.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408939446 1070283144 /nfs/dbraw/zinc/28/31/44/1070283144.db2.gz SPUWWGZHLHKHBM-SXGWCWSVSA-N -1 0 553.295 6.397 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408941913 1070285334 /nfs/dbraw/zinc/28/53/34/1070285334.db2.gz QCHVECFIWKAEGR-HZHRSRAPSA-N -1 0 527.920 5.647 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OC ZINC000408947933 1070312335 /nfs/dbraw/zinc/31/23/35/1070312335.db2.gz DSPRJLOZKRVLQZ-FOKLQQMPSA-N -1 0 626.491 5.833 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408950272 1070307546 /nfs/dbraw/zinc/30/75/46/1070307546.db2.gz JAGSCLFLOAXAKN-KKMKTNMSSA-N -1 0 816.328 8.529 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408952369 1070314385 /nfs/dbraw/zinc/31/43/85/1070314385.db2.gz NLWNMJBJUZUHQZ-RQZCQDPDSA-N -1 0 555.768 5.077 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000408952625 1070314702 /nfs/dbraw/zinc/31/47/02/1070314702.db2.gz OMXZNWMKUAFTGK-JFLMPSFJSA-N -1 0 509.581 5.751 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408953946 1070316794 /nfs/dbraw/zinc/31/67/94/1070316794.db2.gz QQDALLCGVOEOKR-REZTVBANSA-N -1 0 645.216 5.094 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408954645 1070317699 /nfs/dbraw/zinc/31/76/99/1070317699.db2.gz SCPGNVIZUHTCMQ-DJKKODMXSA-N -1 0 644.272 5.584 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408951562 1070320530 /nfs/dbraw/zinc/32/05/30/1070320530.db2.gz LWAGCHUZWSULIH-MUFRIFMGSA-N -1 0 550.630 6.539 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000408956386 1070323413 /nfs/dbraw/zinc/32/34/13/1070323413.db2.gz WKOLKETWTSQZKQ-REZTVBANSA-N -1 0 712.209 5.009 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408967530 1070332576 /nfs/dbraw/zinc/33/25/76/1070332576.db2.gz TWLXTVWDJSOQEP-ZVHZXABRSA-N -1 0 578.040 6.436 40 10 KKCBRM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408967172 1070332610 /nfs/dbraw/zinc/33/26/10/1070332610.db2.gz QGDZAFYGCNOAFZ-HYARGMPZSA-N -1 0 525.049 5.564 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408982983 1070341621 /nfs/dbraw/zinc/34/16/21/1070341621.db2.gz JIUXIWMYNCSXSZ-JMIUGGIZSA-N -1 0 543.378 6.085 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408983174 1070342074 /nfs/dbraw/zinc/34/20/74/1070342074.db2.gz FVLVNFJPUCXTHE-MTJSOVHGSA-N -1 0 508.933 5.432 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408983090 1070342185 /nfs/dbraw/zinc/34/21/85/1070342185.db2.gz KHOYQFAWTDFUMS-OCKHKDLRSA-N -1 0 681.708 6.270 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(I)c3)C2=O)cc1 ZINC000408983068 1070342507 /nfs/dbraw/zinc/34/25/07/1070342507.db2.gz KBNROEZHHURLBB-STZFKDTASA-N -1 0 552.368 5.099 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000408981585 1070339148 /nfs/dbraw/zinc/33/91/48/1070339148.db2.gz BURPYVCAQVLAOR-JAIQZWGSSA-N -1 0 723.261 5.612 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408985121 1070344981 /nfs/dbraw/zinc/34/49/81/1070344981.db2.gz VMNSYRQFWNFBFD-OCKHKDLRSA-N -1 0 608.703 7.217 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(OC)c3)C2=O)cc1 ZINC000408985368 1070345740 /nfs/dbraw/zinc/34/57/40/1070345740.db2.gz WPVZKFIFJZVROK-ONUIUJJFSA-N -1 0 506.558 5.656 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408986113 1070346957 /nfs/dbraw/zinc/34/69/57/1070346957.db2.gz ZPHQXQXBLJWOBD-UWVJOHFNSA-N -1 0 685.729 7.204 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408986038 1070347016 /nfs/dbraw/zinc/34/70/16/1070347016.db2.gz LIWUXZHLAZRMOW-JAIQZWGSSA-N -1 0 663.160 6.782 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)C2=O)cc1Cl ZINC000408986065 1070347229 /nfs/dbraw/zinc/34/72/29/1070347229.db2.gz ZHFMKKPXGVAAOG-JJFYIABZSA-N -1 0 748.742 7.256 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000408987120 1070349391 /nfs/dbraw/zinc/34/93/91/1070349391.db2.gz ALHMIVQMQDKFJQ-FOWTUZBSSA-N -1 0 518.601 5.187 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(C)cc(C)cc4C)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000408986473 1070348387 /nfs/dbraw/zinc/34/83/87/1070348387.db2.gz CNLRFVGPBIRWTR-OEAKJJBVSA-N -1 0 516.619 5.039 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408987573 1070350603 /nfs/dbraw/zinc/35/06/03/1070350603.db2.gz BHBJOMWMEANNKB-LDADJPATSA-N -1 0 562.654 5.586 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408984041 1070352133 /nfs/dbraw/zinc/35/21/33/1070352133.db2.gz HUUPRKSAZXFSDH-BKUYFWCQSA-N -1 0 535.394 5.266 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408993824 1070369415 /nfs/dbraw/zinc/36/94/15/1070369415.db2.gz XABRJQABGVYNFC-AFUMVMLFSA-N -1 0 596.690 5.927 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409002318 1070378857 /nfs/dbraw/zinc/37/88/57/1070378857.db2.gz SYEJVRIMAAKEJU-VCHYOVAHSA-N -1 0 699.248 7.554 40 10 KKCBRM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000409011418 1070389044 /nfs/dbraw/zinc/38/90/44/1070389044.db2.gz NIBCIKVGAQPTAE-MZJWZYIUSA-N -1 0 540.063 6.573 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000409038761 1070429148 /nfs/dbraw/zinc/42/91/48/1070429148.db2.gz AZSYMYAXGZRDEC-VCHYOVAHSA-N -1 0 654.720 5.608 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409045277 1070453799 /nfs/dbraw/zinc/45/37/99/1070453799.db2.gz FZKUFWUEQVTCHX-LICLKQGHSA-N -1 0 625.100 6.764 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)C1=O ZINC000409046194 1070455250 /nfs/dbraw/zinc/45/52/50/1070455250.db2.gz JKAPZSHDZAFVHY-VCHYOVAHSA-N -1 0 639.127 7.072 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409068584 1070485394 /nfs/dbraw/zinc/48/53/94/1070485394.db2.gz RZQMQSJEMCIZLF-UKTHLTGXSA-N -1 0 506.685 5.481 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 ZINC000409076817 1070491656 /nfs/dbraw/zinc/49/16/56/1070491656.db2.gz CHWLEBLSTOFSKQ-LICLKQGHSA-N 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/nfs/dbraw/zinc/51/95/79/1070519579.db2.gz FMOQIGKSJLRBDI-LFIBNONCSA-N -1 0 505.473 6.346 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(C)c1 ZINC000409131522 1070550305 /nfs/dbraw/zinc/55/03/05/1070550305.db2.gz VXYWVNINDAXGAO-BRPDVVIDSA-N -1 0 632.583 8.022 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409125135 1070552699 /nfs/dbraw/zinc/55/26/99/1070552699.db2.gz MPDYXXMAWNPPRN-RGVLZGJSSA-N -1 0 692.788 6.903 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000409135206 1070559554 /nfs/dbraw/zinc/55/95/54/1070559554.db2.gz VQGPPSNAPMPNNA-SRZZPIQSSA-N -1 0 692.788 6.903 40 10 KKCBRM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)c(Cl)c1 ZINC000409149729 1070567927 /nfs/dbraw/zinc/56/79/27/1070567927.db2.gz OTQBPJQNCAPBFL-XKZIYDEJSA-N -1 0 513.015 5.913 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000409145696 1070573247 /nfs/dbraw/zinc/57/32/47/1070573247.db2.gz PJXMGFPGMNIJLF-OEAKJJBVSA-N -1 0 514.379 5.114 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409146543 1070573737 /nfs/dbraw/zinc/57/37/37/1070573737.db2.gz UPGQKQUXWXRRKQ-HYARGMPZSA-N -1 0 565.022 5.387 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409152161 1070576600 /nfs/dbraw/zinc/57/66/00/1070576600.db2.gz JPVOQJXARIJNDW-YPCDYVTLSA-N -1 0 554.868 7.523 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409190867 1070608351 /nfs/dbraw/zinc/60/83/51/1070608351.db2.gz XGPPUSPUXYSBFF-OEAKJJBVSA-N -1 0 601.458 6.561 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409195938 1070615723 /nfs/dbraw/zinc/61/57/23/1070615723.db2.gz WXDYOZILMGXFAS-BUVRLJJBSA-N -1 0 637.527 6.276 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409195482 1070615110 /nfs/dbraw/zinc/61/51/10/1070615110.db2.gz VNIRURSXQHDWER-HAVVHWLPSA-N -1 0 549.023 5.769 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 ZINC000409198077 1070618839 /nfs/dbraw/zinc/61/88/39/1070618839.db2.gz WMGHGAOYRXIYPY-JAIQZWGSSA-N -1 0 526.818 5.510 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409206913 1070622263 /nfs/dbraw/zinc/62/22/63/1070622263.db2.gz NHOLBMKMPHIIRP-STZFKDTASA-N -1 0 506.400 5.414 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000409204277 1070630368 /nfs/dbraw/zinc/63/03/68/1070630368.db2.gz DNEXMNXBVVBUAG-VXLYETTFSA-N -1 0 542.082 5.352 40 10 KKCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409210595 1070634234 /nfs/dbraw/zinc/63/42/34/1070634234.db2.gz JSICFBGEAMXREW-MTJSOVHGSA-N -1 0 554.422 5.230 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409239016 1070654750 /nfs/dbraw/zinc/65/47/50/1070654750.db2.gz YMCBOOJKIBTCJY-WOJGMQOQSA-N -1 0 503.933 5.598 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409247786 1070664264 /nfs/dbraw/zinc/66/42/64/1070664264.db2.gz BGRGVLGHCGSWTO-UDWIEESQSA-N -1 0 582.838 5.403 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409255959 1070674780 /nfs/dbraw/zinc/67/47/80/1070674780.db2.gz MTPGNCBTRVFTTF-LPYMAVHISA-N -1 0 626.493 6.173 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409256263 1070675416 /nfs/dbraw/zinc/67/54/16/1070675416.db2.gz LCEYPFTULMXZQL-UNOMPAQXSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409258075 1070679004 /nfs/dbraw/zinc/67/90/04/1070679004.db2.gz WFDZCYWBHCPXOM-YZSQISJMSA-N -1 0 615.683 5.574 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)cc1Cl ZINC000409258002 1070679013 /nfs/dbraw/zinc/67/90/13/1070679013.db2.gz SOZTYKMLCRIIRV-SRZZPIQSSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1OCC ZINC000409253618 1070686224 /nfs/dbraw/zinc/68/62/24/1070686224.db2.gz XLJSWBRJNYADTK-LPYMAVHISA-N -1 0 640.520 6.482 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1OC ZINC000409265389 1070688057 /nfs/dbraw/zinc/68/80/57/1070688057.db2.gz HZOPSYDNOPLJCN-UCQKPKSFSA-N -1 0 680.552 5.946 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000409265210 1070688120 /nfs/dbraw/zinc/68/81/20/1070688120.db2.gz RIZMRZLCAYAMMM-NDENLUEZSA-N -1 0 629.330 5.369 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Br)c1C ZINC000409267186 1070691901 /nfs/dbraw/zinc/69/19/01/1070691901.db2.gz MGJRSKFRNFYSNC-ODLFYWEKSA-N -1 0 643.357 5.677 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1OC ZINC000409263913 1070700587 /nfs/dbraw/zinc/70/05/87/1070700587.db2.gz JLDPTDSWYPUOHH-UCQKPKSFSA-N -1 0 727.552 5.788 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1OCC ZINC000409261045 1070696907 /nfs/dbraw/zinc/69/69/07/1070696907.db2.gz AKPZQZTYEJUMOI-LFVJCYFKSA-N -1 0 601.656 5.183 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1OC ZINC000409262388 1070698573 /nfs/dbraw/zinc/69/85/73/1070698573.db2.gz IHJVSBGAYIYUIM-UUYOSTAYSA-N -1 0 626.493 6.092 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000409270278 1070705784 /nfs/dbraw/zinc/70/57/84/1070705784.db2.gz OPTQOYKDXKIBES-UUYOSTAYSA-N -1 0 685.325 5.299 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C ZINC000409270999 1070707316 /nfs/dbraw/zinc/70/73/16/1070707316.db2.gz JDWXLKBXLQKJLK-MIXAMLLLSA-N -1 0 654.517 6.329 40 10 KKCBRM COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1Cl ZINC000409272186 1070709504 /nfs/dbraw/zinc/70/95/04/1070709504.db2.gz MFVQBOSGDBHCRO-JMIUGGIZSA-N -1 0 547.372 5.635 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408881197 1070784566 /nfs/dbraw/zinc/78/45/66/1070784566.db2.gz IKPCKWXZUVELLQ-JCMHNJIXSA-N -1 0 549.421 5.656 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Cc3ccccc3F)C2=O)cc1 ZINC000408881319 1070784200 /nfs/dbraw/zinc/78/42/00/1070784200.db2.gz KSRUCJKIHKDLKG-PXLXIMEGSA-N -1 0 523.358 5.244 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Br)c1 ZINC000408880393 1070788223 /nfs/dbraw/zinc/78/82/23/1070788223.db2.gz ISOYOJUQYXTJLQ-LDADJPATSA-N -1 0 513.750 5.499 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408880411 1070788785 /nfs/dbraw/zinc/78/87/85/1070788785.db2.gz HRFZLYNYYOEXCZ-GIJQJNRQSA-N -1 0 559.775 5.496 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2Br)C1=O ZINC000408880435 1070788886 /nfs/dbraw/zinc/78/88/86/1070788886.db2.gz JVARGGJSRNBCRM-XDHOZWIPSA-N -1 0 525.786 5.656 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Br)c1 ZINC000408881215 1070784708 /nfs/dbraw/zinc/78/47/08/1070784708.db2.gz IMRJNEQZPDZDAJ-YBFXNURJSA-N -1 0 530.205 6.013 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408879522 1070793506 /nfs/dbraw/zinc/79/35/06/1070793506.db2.gz DYLQKAHAENUROE-WGOQTCKBSA-N -1 0 708.936 7.168 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408877873 1070802273 /nfs/dbraw/zinc/80/22/73/1070802273.db2.gz VDJBQXDPOWRLGL-VXLYETTFSA-N -1 0 588.227 5.617 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1Cc1cccc(F)c1 ZINC000408877676 1070805661 /nfs/dbraw/zinc/80/56/61/1070805661.db2.gz XPKWPPSAFHKOEC-CPNJWEJPSA-N -1 0 513.750 5.499 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 ZINC000408877552 1070807653 /nfs/dbraw/zinc/80/76/53/1070807653.db2.gz SFRLHDKSFHXPCC-TURZUDJPSA-N -1 0 506.533 5.662 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408888881 1070811069 /nfs/dbraw/zinc/81/10/69/1070811069.db2.gz CHVIAQAJVNECCS-ODLFYWEKSA-N -1 0 553.384 5.459 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)C1=O ZINC000408888862 1070811189 /nfs/dbraw/zinc/81/11/89/1070811189.db2.gz BZXSATWRWYRMBI-ZHZULCJRSA-N -1 0 539.813 5.910 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408888737 1070812620 /nfs/dbraw/zinc/81/26/20/1070812620.db2.gz ZVFXLSINTWBERE-CIAFOILYSA-N -1 0 582.394 5.162 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408888376 1070814534 /nfs/dbraw/zinc/81/45/34/1070814534.db2.gz UXUORLAHFVVYCT-VXLYETTFSA-N -1 0 600.809 5.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408887949 1070816876 /nfs/dbraw/zinc/81/68/76/1070816876.db2.gz VGFGXZNOIKCSLF-WOJGMQOQSA-N -1 0 529.749 5.487 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408887505 1070819221 /nfs/dbraw/zinc/81/92/21/1070819221.db2.gz OYOOREVFYZFSFK-CJLVFECKSA-N -1 0 546.988 5.236 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408896969 1070827449 /nfs/dbraw/zinc/82/74/49/1070827449.db2.gz PHXWFSBQIMOWAS-STBIYBPSSA-N -1 0 655.545 7.289 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408887267 1070821104 /nfs/dbraw/zinc/82/11/04/1070821104.db2.gz NHSLCEHDIGCJCA-BOPFTXTBSA-N -1 0 573.802 5.886 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408890854 1070821841 /nfs/dbraw/zinc/82/18/41/1070821841.db2.gz HLVZMYOSPQGPME-YBFXNURJSA-N -1 0 553.384 5.459 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000408887340 1070821926 /nfs/dbraw/zinc/82/19/26/1070821926.db2.gz PTJLGLBYPJGIJT-YBFXNURJSA-N -1 0 543.776 5.795 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408890943 1070822214 /nfs/dbraw/zinc/82/22/14/1070822214.db2.gz IRYJOPAJUANBLM-KOEQRZSOSA-N -1 0 555.428 6.410 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408897154 1070822726 /nfs/dbraw/zinc/82/27/26/1070822726.db2.gz WHRFOQUMYQYQMV-YBFXNURJSA-N -1 0 589.851 5.153 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Br)c3)C2=O)c(C)c1 ZINC000408897172 1070822911 /nfs/dbraw/zinc/82/29/11/1070822911.db2.gz WSPJBWWUDFLLNJ-XDHOZWIPSA-N -1 0 584.264 6.074 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408897177 1070823061 /nfs/dbraw/zinc/82/30/61/1070823061.db2.gz HXDWHDCQDVOJTO-ULJHMMPZSA-N -1 0 504.970 5.764 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3Br)ccc3ccccc32)C1=O ZINC000408890952 1070823214 /nfs/dbraw/zinc/82/32/14/1070823214.db2.gz IXOZOWBFNGKWKU-XQNSMLJCSA-N -1 0 541.401 6.156 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccccc3Br)ccc3ccccc32)C1=O ZINC000408896698 1070827959 /nfs/dbraw/zinc/82/79/59/1070827959.db2.gz HLUUZMWMRZEBIT-HAHDFKILSA-N -1 0 620.297 6.919 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408897245 1070823558 /nfs/dbraw/zinc/82/35/58/1070823558.db2.gz MINAEMHGHFWFRS-NVMNQCDNSA-N -1 0 683.180 7.471 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408897214 1070823685 /nfs/dbraw/zinc/82/36/85/1070823685.db2.gz QUIIDGFFNIDYOQ-KEBDBYFISA-N -1 0 573.860 6.908 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408895849 1070838312 /nfs/dbraw/zinc/83/83/12/1070838312.db2.gz IUFDZUKUPCYQTM-NDENLUEZSA-N -1 0 539.357 5.151 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408896522 1070833194 /nfs/dbraw/zinc/83/31/94/1070833194.db2.gz OALIRHCVNIWCBX-VXLYETTFSA-N -1 0 604.284 6.708 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408896293 1070833570 /nfs/dbraw/zinc/83/35/70/1070833570.db2.gz KDHWKJAJMNVDEJ-GRSHGNNSSA-N -1 0 681.708 6.270 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)SC2=S)cc1Cl ZINC000409331238 1070834958 /nfs/dbraw/zinc/83/49/58/1070834958.db2.gz MXAYQIOYBIQSMH-GRSHGNNSSA-N -1 0 506.388 6.366 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1 ZINC000408896177 1070835924 /nfs/dbraw/zinc/83/59/24/1070835924.db2.gz PVZAZMNMHIDGTL-SRZZPIQSSA-N -1 0 509.389 6.164 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000408896150 1070836250 /nfs/dbraw/zinc/83/62/50/1070836250.db2.gz PLCOBVRPLBPZFP-BUVRLJJBSA-N -1 0 500.913 5.878 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408896075 1070837516 /nfs/dbraw/zinc/83/75/16/1070837516.db2.gz PBMDUBMMNANWHP-GIJQJNRQSA-N -1 0 681.708 6.270 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Cl)cc1 ZINC000408895718 1070841335 /nfs/dbraw/zinc/84/13/35/1070841335.db2.gz FIBBQKPGMTYLSB-NDENLUEZSA-N -1 0 539.813 5.965 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408895242 1070845946 /nfs/dbraw/zinc/84/59/46/1070845946.db2.gz DBTCUOGCAYSVEX-IMRQLAEWSA-N -1 0 524.548 6.013 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408895248 1070846003 /nfs/dbraw/zinc/84/60/03/1070846003.db2.gz DCZXZGRVQXNAHT-IWIPYMOSSA-N -1 0 563.448 6.100 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408895303 1070846460 /nfs/dbraw/zinc/84/64/60/1070846460.db2.gz DVIYMDCFSXKOSB-ODLFYWEKSA-N -1 0 693.186 6.927 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408894370 1070854966 /nfs/dbraw/zinc/85/49/66/1070854966.db2.gz CFZRBYNNNZKTKX-USHMODERSA-N -1 0 599.481 7.027 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408894474 1070855192 /nfs/dbraw/zinc/85/51/92/1070855192.db2.gz CQCXSUQVPQIUQV-MTJSOVHGSA-N -1 0 539.357 5.151 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893576 1070863880 /nfs/dbraw/zinc/86/38/80/1070863880.db2.gz GZXSLEYOZAVKMZ-RGVLZGJSSA-N -1 0 666.877 5.086 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)c1 ZINC000408893673 1070861004 /nfs/dbraw/zinc/86/10/04/1070861004.db2.gz HMTSGYNDMPYEQQ-LFVJCYFKSA-N -1 0 555.428 6.465 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S)c1cccs1 ZINC000409346462 1070863131 /nfs/dbraw/zinc/86/31/31/1070863131.db2.gz KTTCBIFSWTWYOX-ODLFYWEKSA-N -1 0 549.468 5.775 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1 ZINC000408893480 1070866423 /nfs/dbraw/zinc/86/64/23/1070866423.db2.gz ATSHYZNCXPSNQR-UQQQWYQISA-N -1 0 593.474 6.272 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408893118 1070867466 /nfs/dbraw/zinc/86/74/66/1070867466.db2.gz FNBQYKCZEYSMQB-LPYMAVHISA-N -1 0 596.421 5.552 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408890777 1070881322 /nfs/dbraw/zinc/88/13/22/1070881322.db2.gz YZWCHOQRTYYGES-WSDLNYQXSA-N -1 0 630.866 6.206 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4Br)ccc4ccccc43)C2=O)cc1 ZINC000408890324 1070883320 /nfs/dbraw/zinc/88/33/20/1070883320.db2.gz RJVCERIEIMGKDC-KOEQRZSOSA-N -1 0 599.437 6.024 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408889825 1070887427 /nfs/dbraw/zinc/88/74/27/1070887427.db2.gz JNRWUTZPMASDBZ-LZYBPNLTSA-N -1 0 641.220 5.991 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000408889500 1070888574 /nfs/dbraw/zinc/88/85/74/1070888574.db2.gz DEVHQPBPFQGARZ-QNKGDIEWSA-N -1 0 582.656 7.281 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Br)c2)C1=O ZINC000408889146 1070890281 /nfs/dbraw/zinc/89/02/81/1070890281.db2.gz FCHSWNICORAPKI-LDADJPATSA-N -1 0 570.237 5.765 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409385012 1070902445 /nfs/dbraw/zinc/90/24/45/1070902445.db2.gz GHYZZNIJMKLOMJ-OFWBYEQRSA-N -1 0 598.684 7.113 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1O[C@H](C)CC ZINC000409378397 1070904516 /nfs/dbraw/zinc/90/45/16/1070904516.db2.gz OUGVKDLSBCNACI-IYSPOMMRSA-N -1 0 578.472 5.261 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409380391 1070905817 /nfs/dbraw/zinc/90/58/17/1070905817.db2.gz MGPPCQWOPSENEZ-MFKUBSTISA-N -1 0 557.071 6.475 40 10 KKCBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408902833 1070907308 /nfs/dbraw/zinc/90/73/08/1070907308.db2.gz LTSYLHDWTVTHKW-GFQQVXNGSA-N -1 0 552.219 5.064 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408902723 1070908474 /nfs/dbraw/zinc/90/84/74/1070908474.db2.gz QMDUWFYWLSGMCK-LPYMAVHISA-N -1 0 535.394 5.931 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409399667 1070914084 /nfs/dbraw/zinc/91/40/84/1070914084.db2.gz LOXMEBWBDYKBEN-ZDLGFXPLSA-N -1 0 501.739 5.282 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408901669 1070916815 /nfs/dbraw/zinc/91/68/15/1070916815.db2.gz HBONIAUAJPVHKT-HYARGMPZSA-N -1 0 617.486 6.373 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1 ZINC000408901750 1070917264 /nfs/dbraw/zinc/91/72/64/1070917264.db2.gz ZSNKDTFRAOQAAU-IMRQLAEWSA-N -1 0 599.481 6.945 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408901430 1070921281 /nfs/dbraw/zinc/92/12/81/1070921281.db2.gz XYGQRNCUJYIMLN-UCQKPKSFSA-N -1 0 671.444 5.632 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408901352 1070923789 /nfs/dbraw/zinc/92/37/89/1070923789.db2.gz DKNNJMRVKYIMCA-FYJGNVAPSA-N -1 0 512.008 6.032 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408901116 1070924222 /nfs/dbraw/zinc/92/42/22/1070924222.db2.gz VVXDYQNMHYVJKW-UQQQWYQISA-N -1 0 563.448 6.182 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408901128 1070924422 /nfs/dbraw/zinc/92/44/22/1070924422.db2.gz VZQPCQJWLIUVKC-PKAZHMFMSA-N -1 0 676.507 6.877 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408901180 1070925962 /nfs/dbraw/zinc/92/59/62/1070925962.db2.gz WRPPGPQLQDXYEL-QRVIBDJDSA-N -1 0 555.414 6.036 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Br ZINC000408901053 1070926430 /nfs/dbraw/zinc/92/64/30/1070926430.db2.gz ZQJOXUKPONDQDQ-KGENOOAVSA-N -1 0 535.394 5.402 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000408900429 1070933729 /nfs/dbraw/zinc/93/37/29/1070933729.db2.gz YKFISSNHUAMELH-NDENLUEZSA-N -1 0 570.783 5.565 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)ccc1Br ZINC000408900756 1070930057 /nfs/dbraw/zinc/93/00/57/1070930057.db2.gz UOMRQMIAGHDRBC-NDENLUEZSA-N -1 0 604.682 6.419 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408900372 1070933024 /nfs/dbraw/zinc/93/30/24/1070933024.db2.gz SEJOOLYDYWFBIW-JAIQZWGSSA-N -1 0 589.859 6.690 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408900385 1070933050 /nfs/dbraw/zinc/93/30/50/1070933050.db2.gz SHUUCJJEPFGYJS-HMAPJEAMSA-N -1 0 569.441 6.426 40 10 KKCBRM Cc1cccc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408900168 1070938584 /nfs/dbraw/zinc/93/85/84/1070938584.db2.gz RUWQWFYYDQWTHA-XYGWBWBKSA-N -1 0 555.428 6.465 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 ZINC000408900180 1070938809 /nfs/dbraw/zinc/93/88/09/1070938809.db2.gz RVKRBNPEAWJAGJ-MYYYXRDXSA-N -1 0 563.050 6.390 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408899945 1070939369 /nfs/dbraw/zinc/93/93/69/1070939369.db2.gz QOQAFSWFABZJAS-UNOMPAQXSA-N -1 0 531.403 5.090 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)ccc1Br ZINC000408899944 1070939417 /nfs/dbraw/zinc/93/94/17/1070939417.db2.gz QOPAOYSIPVCOHQ-UCQKPKSFSA-N -1 0 610.291 7.463 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408900322 1070936379 /nfs/dbraw/zinc/93/63/79/1070936379.db2.gz VDEIAQSAGOPFLG-JVWAILMASA-N -1 0 601.030 6.702 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)c1 ZINC000408900115 1070937095 /nfs/dbraw/zinc/93/70/95/1070937095.db2.gz STNPRHRZQUQXIK-XDHOZWIPSA-N -1 0 525.786 5.656 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408899580 1070944336 /nfs/dbraw/zinc/94/43/36/1070944336.db2.gz PHGNVKDUWBJGPY-JLPGSUDCSA-N -1 0 613.088 5.660 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408899442 1070946429 /nfs/dbraw/zinc/94/64/29/1070946429.db2.gz PGMKYYPXRASPMS-LPYMAVHISA-N -1 0 592.446 5.149 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408899601 1070945224 /nfs/dbraw/zinc/94/52/24/1070945224.db2.gz PKWAZRSNTFWHHM-ZDLGFXPLSA-N -1 0 679.159 6.537 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC ZINC000408899353 1070945774 /nfs/dbraw/zinc/94/57/74/1070945774.db2.gz ORWHBJPOVNMZPN-YBEGLDIGSA-N -1 0 521.795 5.265 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408899390 1070945890 /nfs/dbraw/zinc/94/58/90/1070945890.db2.gz OXJSZUVXZRTDEJ-XYGWBWBKSA-N -1 0 563.050 6.471 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCCC)c(OCC)c3)C2=O)cc1 ZINC000408899770 1070940932 /nfs/dbraw/zinc/94/09/32/1070940932.db2.gz QGDIOLAFNXXOND-UYRXBGFRSA-N -1 0 531.403 5.092 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408900049 1070941038 /nfs/dbraw/zinc/94/10/38/1070941038.db2.gz RDSVATAOJGWWEB-XKZIYDEJSA-N -1 0 657.417 5.242 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C1=O ZINC000408899017 1070952013 /nfs/dbraw/zinc/95/20/13/1070952013.db2.gz RVMZTMPURXTWEB-NDENLUEZSA-N -1 0 588.227 5.905 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408899298 1070947842 /nfs/dbraw/zinc/94/78/42/1070947842.db2.gz ODZUPODMALRVJR-UCQKPKSFSA-N -1 0 525.388 6.028 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408899276 1070947861 /nfs/dbraw/zinc/94/78/61/1070947861.db2.gz OZYDXHBWGRDUER-KEBDBYFISA-N -1 0 573.802 5.886 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 ZINC000408898800 1070952719 /nfs/dbraw/zinc/95/27/19/1070952719.db2.gz MSMDFXFNJZBFGJ-HAHDFKILSA-N -1 0 522.960 5.903 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408898942 1070950740 /nfs/dbraw/zinc/95/07/40/1070950740.db2.gz NIDDSLSHLWGLLF-XKZIYDEJSA-N -1 0 549.421 5.628 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3F)C2=O)cc1 ZINC000408898313 1070956846 /nfs/dbraw/zinc/95/68/46/1070956846.db2.gz KVJHVPMRFNAWRK-JLPGSUDCSA-N -1 0 518.541 5.259 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408898358 1070957462 /nfs/dbraw/zinc/95/74/62/1070957462.db2.gz LPYLZBDEGSBIEC-STZFKDTASA-N -1 0 553.384 5.622 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000408898297 1070960201 /nfs/dbraw/zinc/96/02/01/1070960201.db2.gz QDFHJOBTDZNBER-MOSHPQCFSA-N -1 0 570.237 5.765 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408898036 1070960899 /nfs/dbraw/zinc/96/08/99/1070960899.db2.gz KSJHZHBWLKOZKO-LPYMAVHISA-N -1 0 592.446 5.149 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(C)ccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408898032 1070960991 /nfs/dbraw/zinc/96/09/91/1070960991.db2.gz KRGZINNQFDSPIL-QQXSKIMKSA-N -1 0 676.507 6.796 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408897877 1070961642 /nfs/dbraw/zinc/96/16/42/1070961642.db2.gz JJOJXYUCWVWRLA-KQWNVCNZSA-N -1 0 518.541 5.259 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)ccc1Br ZINC000408897939 1070962882 /nfs/dbraw/zinc/96/28/82/1070962882.db2.gz JSZMOKHWOJJKLQ-ODLFYWEKSA-N -1 0 543.776 5.795 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000408897704 1070965942 /nfs/dbraw/zinc/96/59/42/1070965942.db2.gz NTUMTWWJORLJID-NVMNQCDNSA-N -1 0 594.676 6.963 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408897435 1070965952 /nfs/dbraw/zinc/96/59/52/1070965952.db2.gz JGXVZYVTCDDYRI-YBEGLDIGSA-N -1 0 521.795 5.265 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408897526 1070967121 /nfs/dbraw/zinc/96/71/21/1070967121.db2.gz XNWAKJIXINELCY-WOJGMQOQSA-N -1 0 555.812 5.665 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)c1 ZINC000408897351 1070968259 /nfs/dbraw/zinc/96/82/59/1070968259.db2.gz IZAXSAUHVQQETJ-WGOQTCKBSA-N -1 0 510.977 6.355 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408897330 1070968555 /nfs/dbraw/zinc/96/85/55/1070968555.db2.gz IWDXXXNPGUXOGJ-BKUYFWCQSA-N -1 0 538.959 5.522 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408897404 1070969199 /nfs/dbraw/zinc/96/91/99/1070969199.db2.gz MYSALTRZYYQNTP-ZDLGFXPLSA-N -1 0 590.257 6.318 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)cc(C)c4)C3=O)cc2Br)cc1 ZINC000408915143 1071009194 /nfs/dbraw/zinc/00/91/94/1071009194.db2.gz VGYMOBXDZDTSRD-YBFXNURJSA-N -1 0 527.465 5.950 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000408915786 1071006787 /nfs/dbraw/zinc/00/67/87/1071006787.db2.gz YMOSQAPFUYZHTL-LICLKQGHSA-N -1 0 533.856 5.986 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408913881 1071015947 /nfs/dbraw/zinc/01/59/47/1071015947.db2.gz VVEZQOQOXTTZQA-KEBDBYFISA-N -1 0 512.896 5.262 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408913504 1071017425 /nfs/dbraw/zinc/01/74/25/1071017425.db2.gz VFZKFHJDAQFVGS-QGMBQPNBSA-N -1 0 564.194 6.140 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408911752 1071058749 /nfs/dbraw/zinc/05/87/49/1071058749.db2.gz OKJDZJNNGRPYKW-FSJBWODESA-N -1 0 530.939 5.886 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408911633 1071060235 /nfs/dbraw/zinc/06/02/35/1071060235.db2.gz AIZKDYQHFBCFKS-FSJBWODESA-N -1 0 575.390 5.995 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408910659 1071067310 /nfs/dbraw/zinc/06/73/10/1071067310.db2.gz LEALCIZNDLRYOG-DJKKODMXSA-N -1 0 559.775 5.496 40 10 KKCBRM CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C(=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000408922348 1071091845 /nfs/dbraw/zinc/09/18/45/1071091845.db2.gz OMJBYENSPSPWQJ-FUFNRSNVSA-N -1 0 601.750 5.014 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408917598 1071144511 /nfs/dbraw/zinc/14/45/11/1071144511.db2.gz YDQFDPUMHWTWOI-NDENLUEZSA-N -1 0 524.404 5.967 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408917454 1071146473 /nfs/dbraw/zinc/14/64/73/1071146473.db2.gz UUWOWFXEDUXXDM-ZDLGFXPLSA-N -1 0 559.388 5.146 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408937031 1071204054 /nfs/dbraw/zinc/20/40/54/1071204054.db2.gz MDTLLAHJGDKSSH-NDZAJKAJSA-N -1 0 687.557 7.468 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408936977 1071207174 /nfs/dbraw/zinc/20/71/74/1071207174.db2.gz LSQQPZZVRWIXDV-UDWIEESQSA-N -1 0 527.758 5.054 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408936500 1071211546 /nfs/dbraw/zinc/21/15/46/1071211546.db2.gz KPEMLQHNYFUMRH-VEILYXNESA-N -1 0 549.539 5.419 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935885 1071217825 /nfs/dbraw/zinc/21/78/25/1071217825.db2.gz IOELLVCRZGSMPE-CVKSISIWSA-N -1 0 711.974 6.433 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408935934 1071218475 /nfs/dbraw/zinc/21/84/75/1071218475.db2.gz IXXUUIVKANMPCG-ZDLGFXPLSA-N -1 0 597.746 6.506 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408935601 1071221659 /nfs/dbraw/zinc/22/16/59/1071221659.db2.gz IBFXMRVKJPZBOW-AFUMVMLFSA-N -1 0 670.318 7.719 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408935648 1071222219 /nfs/dbraw/zinc/22/22/19/1071222219.db2.gz IHZPISWMVBAYHC-CVKSISIWSA-N -1 0 679.926 7.465 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000408933892 1071238217 /nfs/dbraw/zinc/23/82/17/1071238217.db2.gz BXQDVBPRLMGUGC-MNBJERMJSA-N -1 0 623.492 7.971 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408942630 1071261967 /nfs/dbraw/zinc/26/19/67/1071261967.db2.gz ZTWDADJVGDTIQG-RGVLZGJSSA-N -1 0 692.260 5.606 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000408947069 1071263220 /nfs/dbraw/zinc/26/32/20/1071263220.db2.gz ZJXHDGPNWHQBMT-YBFXNURJSA-N -1 0 556.756 5.256 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408946658 1071266335 /nfs/dbraw/zinc/26/63/35/1071266335.db2.gz AUVDJBVWUNRDLH-UPWPZJMKSA-N -1 0 607.545 6.769 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408946463 1071270485 /nfs/dbraw/zinc/27/04/85/1071270485.db2.gz AICCAAXASQAOSV-JFLMPSFJSA-N -1 0 601.530 7.707 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408944208 1071287077 /nfs/dbraw/zinc/28/70/77/1071287077.db2.gz UCBMSHOMEDBWBR-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408942130 1071301773 /nfs/dbraw/zinc/30/17/73/1071301773.db2.gz XOZTUQJLSUIENO-BRJLIKDPSA-N -1 0 747.344 7.570 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408940949 1071312145 /nfs/dbraw/zinc/31/21/45/1071312145.db2.gz VUNLAVNMPPQCEO-WGOQTCKBSA-N -1 0 603.458 6.826 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408940801 1071313210 /nfs/dbraw/zinc/31/32/10/1071313210.db2.gz VDFUGEHUSUHYHO-NVMNQCDNSA-N -1 0 597.348 6.795 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000408940779 1071315603 /nfs/dbraw/zinc/31/56/03/1071315603.db2.gz VCJZIDQAHQJQRI-DICXZTSXSA-N -1 0 591.422 6.957 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408940048 1071320319 /nfs/dbraw/zinc/32/03/19/1071320319.db2.gz TXHHCEYNGKNQAI-DHRITJCHSA-N -1 0 761.371 7.960 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1O ZINC000408938776 1071327765 /nfs/dbraw/zinc/32/77/65/1071327765.db2.gz RORRBLPSMASEDH-QGMBQPNBSA-N -1 0 592.229 5.716 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408938655 1071328537 /nfs/dbraw/zinc/32/85/37/1071328537.db2.gz QUQPOLPYSCJAOW-WGOQTCKBSA-N -1 0 681.550 6.714 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000408938389 1071332275 /nfs/dbraw/zinc/33/22/75/1071332275.db2.gz QHPJUDVKJXZTFE-PKAZHMFMSA-N -1 0 573.432 6.818 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc2ccccc2n1Cc1ccccc1F ZINC000408937732 1071336665 /nfs/dbraw/zinc/33/66/65/1071336665.db2.gz OJFRHUJMDJGTRN-WPWMEQJKSA-N -1 0 614.460 7.381 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408937327 1071340860 /nfs/dbraw/zinc/34/08/60/1071340860.db2.gz NZGNDCQNNAZQSA-ZVHZXABRSA-N -1 0 637.903 7.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408951667 1071349619 /nfs/dbraw/zinc/34/96/19/1071349619.db2.gz MHHRLCHHJBTJFA-RPPGKUMJSA-N -1 0 727.426 8.311 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000408950299 1071356287 /nfs/dbraw/zinc/35/62/87/1071356287.db2.gz JCVFXMVMUDTLKE-XZYGTATASA-N -1 0 605.738 7.977 40 10 KKCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 ZINC000408948211 1071367764 /nfs/dbraw/zinc/36/77/64/1071367764.db2.gz FAESWVCXOWUXHH-JFLMPSFJSA-N -1 0 550.611 5.867 40 10 KKCBRM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408947290 1071371534 /nfs/dbraw/zinc/37/15/34/1071371534.db2.gz BUAIAXSTNXQSJR-LQKURTRISA-N -1 0 521.617 5.620 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000408947891 1071368688 /nfs/dbraw/zinc/36/86/88/1071368688.db2.gz DLEJMPANGBROCQ-MZJWZYIUSA-N -1 0 676.526 7.144 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000408947383 1071370754 /nfs/dbraw/zinc/37/07/54/1071370754.db2.gz CHEMFPLZKVRCOP-KBVAKVRCSA-N -1 0 555.678 6.824 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408957062 1071373349 /nfs/dbraw/zinc/37/33/49/1071373349.db2.gz ZXXMGXLRMQAUMA-XODNFHPESA-N -1 0 733.559 6.921 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408956944 1071374500 /nfs/dbraw/zinc/37/45/00/1071374500.db2.gz ZIEMXAQRRHXDIA-AFUMVMLFSA-N -1 0 553.546 5.207 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408956953 1071374591 /nfs/dbraw/zinc/37/45/91/1071374591.db2.gz ZIPRRFZWAXFKAH-VULFUBBASA-N -1 0 570.001 5.722 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408956447 1071377509 /nfs/dbraw/zinc/37/75/09/1071377509.db2.gz WUGURUZAXFQQKU-XODNFHPESA-N -1 0 706.552 7.152 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408956491 1071378036 /nfs/dbraw/zinc/37/80/36/1071378036.db2.gz XLPGDONHCMNKJG-DJKKODMXSA-N -1 0 555.370 5.366 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408956388 1071379506 /nfs/dbraw/zinc/37/95/06/1071379506.db2.gz WLIGIGDDKNBMAD-ALQBTCKLSA-N -1 0 582.700 7.553 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408956088 1071380843 /nfs/dbraw/zinc/38/08/43/1071380843.db2.gz VXMKIKHVYZGWCQ-KKMKTNMSSA-N -1 0 910.328 8.214 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408695426 1071384464 /nfs/dbraw/zinc/38/44/64/1071384464.db2.gz UOWPUCJYACICCO-OEAKJJBVSA-N -1 0 610.448 5.827 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408955243 1071384829 /nfs/dbraw/zinc/38/48/29/1071384829.db2.gz UAYZEUBNXAEGIX-IPPBACCNSA-N -1 0 763.604 6.981 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408694202 1071388503 /nfs/dbraw/zinc/38/85/03/1071388503.db2.gz FOHAQSPIYIUJGF-WOJGMQOQSA-N -1 0 547.833 5.485 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000408955168 1071387144 /nfs/dbraw/zinc/38/71/44/1071387144.db2.gz TUIPSNGMWWSJQV-REZTVBANSA-N -1 0 529.307 5.107 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000408693491 1071391118 /nfs/dbraw/zinc/39/11/18/1071391118.db2.gz XHOKXIMYCXYCFV-UHFFFAOYSA-N -1 0 527.042 5.397 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408692854 1071393252 /nfs/dbraw/zinc/39/32/52/1071393252.db2.gz WXCGGOBZKQEDTH-LPYMAVHISA-N -1 0 549.421 5.594 40 10 KKCBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408953908 1071394453 /nfs/dbraw/zinc/39/44/53/1071394453.db2.gz QMGXGCOPMJVUCQ-MZJWZYIUSA-N -1 0 551.599 6.297 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408692582 1071394906 /nfs/dbraw/zinc/39/49/06/1071394906.db2.gz PUTBWHVDNDNDMS-YBFXNURJSA-N -1 0 592.284 5.594 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408692155 1071395414 /nfs/dbraw/zinc/39/54/14/1071395414.db2.gz FQWIMTNKCQOHAO-VCHYOVAHSA-N -1 0 533.806 5.095 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408692099 1071396119 /nfs/dbraw/zinc/39/61/19/1071396119.db2.gz DKIUJFPNOQUUEL-CXUHLZMHSA-N -1 0 568.251 5.748 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408692241 1071396205 /nfs/dbraw/zinc/39/62/05/1071396205.db2.gz IELLKEHVAWARAS-LPYMAVHISA-N -1 0 596.421 5.436 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408692246 1071396255 /nfs/dbraw/zinc/39/62/55/1071396255.db2.gz IJMOMJAIVBXYKC-WOJGMQOQSA-N -1 0 503.780 5.086 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000408966339 1071410087 /nfs/dbraw/zinc/41/00/87/1071410087.db2.gz LTFGLTKABSCJRM-ONUIUJJFSA-N -1 0 623.065 7.343 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408965964 1071412538 /nfs/dbraw/zinc/41/25/38/1071412538.db2.gz KLUNQJSUWKVAFA-ZVHZXABRSA-N -1 0 594.495 6.950 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408965085 1071415642 /nfs/dbraw/zinc/41/56/42/1071415642.db2.gz GIJNOPFIAXHGAS-WYMPLXKRSA-N -1 0 628.940 7.604 40 10 KKCBRM COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000408964642 1071417211 /nfs/dbraw/zinc/41/72/11/1071417211.db2.gz DYMLHQXBYVEJNV-RQZCQDPDSA-N -1 0 518.397 5.380 40 10 KKCBRM CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000408969339 1071459497 /nfs/dbraw/zinc/45/94/97/1071459497.db2.gz MEQAGVKAANTMAD-BWAHOGKJSA-N -1 0 533.671 6.546 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000408987199 1071483266 /nfs/dbraw/zinc/48/32/66/1071483266.db2.gz FAGIHEGTVIOTHQ-OCKHKDLRSA-N -1 0 594.676 6.963 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408985923 1071494756 /nfs/dbraw/zinc/49/47/56/1071494756.db2.gz YTNKQNOULVXCPS-IUXPMGMMSA-N -1 0 624.702 6.972 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408985543 1071499200 /nfs/dbraw/zinc/49/92/00/1071499200.db2.gz KYZMXUIUZLJLPQ-LSCVHKIXSA-N -1 0 683.578 7.181 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408985509 1071499314 /nfs/dbraw/zinc/49/93/14/1071499314.db2.gz XFANQLXFDPUIHN-JMIUGGIZSA-N -1 0 587.829 6.194 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408985128 1071503026 /nfs/dbraw/zinc/50/30/26/1071503026.db2.gz VOZJLFCPQOODTA-GRSHGNNSSA-N -1 0 604.284 6.708 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(I)c3)C2=O)cc1 ZINC000408985119 1071503067 /nfs/dbraw/zinc/50/30/67/1071503067.db2.gz VLWTUQFUPLUAOM-BKUYFWCQSA-N -1 0 570.358 5.238 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408984844 1071506321 /nfs/dbraw/zinc/50/63/21/1071506321.db2.gz SZINXTLSTXSOKW-NVMNQCDNSA-N -1 0 545.806 6.209 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408984877 1071506843 /nfs/dbraw/zinc/50/68/43/1071506843.db2.gz TZXKXFAIVOWQPF-DICXZTSXSA-N -1 0 618.915 7.064 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408984709 1071507568 /nfs/dbraw/zinc/50/75/68/1071507568.db2.gz SQODLLCJXIPUQT-UWVJOHFNSA-N -1 0 613.848 5.784 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408984533 1071509071 /nfs/dbraw/zinc/50/90/71/1071509071.db2.gz RTXGMRRYAQBVKF-XKZIYDEJSA-N -1 0 628.317 6.418 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408983589 1071515199 /nfs/dbraw/zinc/51/51/99/1071515199.db2.gz MNYDXMNBTHSLRH-JAIQZWGSSA-N -1 0 526.818 5.793 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408983581 1071515266 /nfs/dbraw/zinc/51/52/66/1071515266.db2.gz MLWZVGMBOZKSRR-XKZIYDEJSA-N -1 0 594.418 5.564 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1Cl ZINC000408983288 1071518065 /nfs/dbraw/zinc/51/80/65/1071518065.db2.gz LEYYLNPEXXVHJR-GRSHGNNSSA-N -1 0 698.682 6.103 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408983563 1071518213 /nfs/dbraw/zinc/51/82/13/1071518213.db2.gz MJHBSMPXGFEUHW-JMIUGGIZSA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408983295 1071518236 /nfs/dbraw/zinc/51/82/36/1071518236.db2.gz LGFZHXMBNJGXAZ-JMIUGGIZSA-N -1 0 543.378 6.085 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000408982349 1071527227 /nfs/dbraw/zinc/52/72/27/1071527227.db2.gz DJDJMINCGLUJEZ-NDENLUEZSA-N -1 0 508.933 5.432 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408723662 1071527634 /nfs/dbraw/zinc/52/76/34/1071527634.db2.gz ZEGWCCOJXUTKKU-RQZCQDPDSA-N -1 0 687.770 7.060 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408723586 1071527707 /nfs/dbraw/zinc/52/77/07/1071527707.db2.gz XHGISXLFPNONJS-CAOOACKPSA-N -1 0 673.743 6.670 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(I)cc4)c(OC)c3)C2=O)cc1 ZINC000408982113 1071528077 /nfs/dbraw/zinc/52/80/77/1071528077.db2.gz FXAVGOMCEXUGLI-MTJSOVHGSA-N -1 0 708.290 5.712 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723314 1071528677 /nfs/dbraw/zinc/52/86/77/1071528677.db2.gz TWDUJLKPGUZONM-RQZCQDPDSA-N -1 0 694.847 5.783 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(I)c3)C2=O)cc1 ZINC000408982096 1071530061 /nfs/dbraw/zinc/53/00/61/1071530061.db2.gz FRDDAVZYOLJULD-JAIQZWGSSA-N -1 0 665.709 6.515 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722966 1071530269 /nfs/dbraw/zinc/53/02/69/1071530269.db2.gz OVMGRPWGQUTBBK-OMCISZLKSA-N -1 0 661.188 7.482 40 10 KKCBRM COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 ZINC000408981910 1071530757 /nfs/dbraw/zinc/53/07/57/1071530757.db2.gz DPKDKFRCDUHSOL-GRSHGNNSSA-N -1 0 526.376 5.162 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408981909 1071530833 /nfs/dbraw/zinc/53/08/33/1071530833.db2.gz DPJDUXGNLIGUGH-JMIUGGIZSA-N -1 0 587.829 6.194 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722766 1071532748 /nfs/dbraw/zinc/53/27/48/1071532748.db2.gz NBIBPENTGHTGBY-VXLYETTFSA-N -1 0 653.325 6.407 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408722543 1071532765 /nfs/dbraw/zinc/53/27/65/1071532765.db2.gz JZOPPJUAAONQQY-GIJQJNRQSA-N -1 0 687.770 7.060 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408981632 1071533104 /nfs/dbraw/zinc/53/31/04/1071533104.db2.gz CCQHYYUUFWNAQB-XKZIYDEJSA-N -1 0 539.415 6.200 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722584 1071533242 /nfs/dbraw/zinc/53/32/42/1071533242.db2.gz LGMYQNLBDQVMFQ-GIJQJNRQSA-N -1 0 639.298 6.017 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408981434 1071534253 /nfs/dbraw/zinc/53/42/53/1071534253.db2.gz BFHZCUOAWVQTJT-NHDPSOOVSA-N -1 0 539.415 6.254 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408721845 1071536368 /nfs/dbraw/zinc/53/63/68/1071536368.db2.gz AKPYBIYQWFRZHM-VCHYOVAHSA-N -1 0 700.723 5.960 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736297 1071556657 /nfs/dbraw/zinc/55/66/57/1071556657.db2.gz PIKCQTQFRUDIIT-NEPBQVNBSA-N -1 0 566.683 6.043 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408994308 1071559496 /nfs/dbraw/zinc/55/94/96/1071559496.db2.gz ZFASXBAHIXOKNR-VCHYOVAHSA-N -1 0 591.652 5.712 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408993659 1071563386 /nfs/dbraw/zinc/56/33/86/1071563386.db2.gz WOWCKZSSPQCBGN-VCHYOVAHSA-N -1 0 591.652 5.712 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccc(C)cc5C)C4=O)o3)sc2c1 ZINC000408991392 1071582154 /nfs/dbraw/zinc/58/21/54/1071582154.db2.gz NSKVTFYDPJOHLE-LDADJPATSA-N -1 0 535.672 5.887 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408991185 1071582528 /nfs/dbraw/zinc/58/25/28/1071582528.db2.gz NFCSLAXUEQLBOL-OEAKJJBVSA-N -1 0 686.196 7.401 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C2=O)cc1Cl ZINC000408991081 1071584009 /nfs/dbraw/zinc/58/40/09/1071584009.db2.gz YZAJTUKQWGWXKZ-MTDXEUNCSA-N -1 0 592.482 8.093 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408990708 1071588237 /nfs/dbraw/zinc/58/82/37/1071588237.db2.gz YGFIBIOKDVSVMT-BKUYFWCQSA-N -1 0 550.365 5.165 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000408990257 1071591637 /nfs/dbraw/zinc/59/16/37/1071591637.db2.gz WNMPSGQAGJUOKO-HMAPJEAMSA-N -1 0 519.395 5.565 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408989887 1071593941 /nfs/dbraw/zinc/59/39/41/1071593941.db2.gz VLUKMABJNIWECI-MTJSOVHGSA-N -1 0 525.388 5.810 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5cccc(C)c5)C4=O)o3)sc2c1 ZINC000408989576 1071595700 /nfs/dbraw/zinc/59/57/00/1071595700.db2.gz IKFSBBZPDRDDEX-LDADJPATSA-N -1 0 521.645 5.579 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408739877 1071602169 /nfs/dbraw/zinc/60/21/69/1071602169.db2.gz BGTSHVVCFAQZDM-KEBDBYFISA-N -1 0 590.257 6.400 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000408739865 1071602245 /nfs/dbraw/zinc/60/22/45/1071602245.db2.gz BBIKZDKHWQTHLX-RRAHZORUSA-N -1 0 618.556 7.714 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000408988665 1071604340 /nfs/dbraw/zinc/60/43/40/1071604340.db2.gz FLDKSFURBKGBBR-XNTDXEJSSA-N -1 0 557.034 5.742 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408988158 1071607268 /nfs/dbraw/zinc/60/72/68/1071607268.db2.gz CYOBNIXTTXQNKQ-SXDGJLEOSA-N -1 0 555.121 6.470 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408744422 1071616066 /nfs/dbraw/zinc/61/60/66/1071616066.db2.gz ZOYVUOCBDJNEDF-CIAFOILYSA-N -1 0 566.364 5.001 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408996532 1071618485 /nfs/dbraw/zinc/61/84/85/1071618485.db2.gz IOTDJRDVEQVZPG-MHWRWJLKSA-N -1 0 519.829 5.678 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408742880 1071619494 /nfs/dbraw/zinc/61/94/94/1071619494.db2.gz QGLLUXORYTUDEJ-DFKUXCBWSA-N -1 0 567.645 7.185 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408742649 1071620656 /nfs/dbraw/zinc/62/06/56/1071620656.db2.gz XLMHSKFVTBNRGA-KGENOOAVSA-N -1 0 521.367 5.093 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408741324 1071626783 /nfs/dbraw/zinc/62/67/83/1071626783.db2.gz LEUUHRXSAGKXEB-YDZHTSKRSA-N -1 0 654.913 6.517 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)c1C)CCCC2 ZINC000408741302 1071626807 /nfs/dbraw/zinc/62/68/07/1071626807.db2.gz IGVIULPMPWWRHM-JCMHNJIXSA-N -1 0 545.661 5.494 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408742144 1071622187 /nfs/dbraw/zinc/62/21/87/1071622187.db2.gz POTHHZYTMZKIBR-AWQFTUOYSA-N -1 0 636.351 6.574 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408742026 1071622786 /nfs/dbraw/zinc/62/27/86/1071622786.db2.gz OVZRFJUPUJKSRF-MHWRWJLKSA-N -1 0 522.207 5.847 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408741661 1071623896 /nfs/dbraw/zinc/62/38/96/1071623896.db2.gz MZLZMSPGSFKNIN-JAIQZWGSSA-N -1 0 559.283 5.450 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c2-c2ccccc2)cc1 ZINC000408741269 1071626217 /nfs/dbraw/zinc/62/62/17/1071626217.db2.gz HVTKXFHTVMHGDD-OFWBYEQRSA-N -1 0 646.541 7.947 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408740859 1071628410 /nfs/dbraw/zinc/62/84/10/1071628410.db2.gz IRXKXCNYGAFHNB-UDWIEESQSA-N -1 0 555.425 5.316 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408740236 1071631489 /nfs/dbraw/zinc/63/14/89/1071631489.db2.gz FBVMAQSSLQNQSU-FYJGNVAPSA-N -1 0 551.462 5.567 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc5ccccc54)c4ccccc34)C2=O)ccc1Br ZINC000408756121 1071639374 /nfs/dbraw/zinc/63/93/74/1071639374.db2.gz XSVMWSUXUSFPLY-WGOQTCKBSA-N -1 0 564.439 6.580 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408756683 1071636031 /nfs/dbraw/zinc/63/60/31/1071636031.db2.gz SIHKJEVAVGMWHC-VXLYETTFSA-N -1 0 600.809 5.573 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408756002 1071640365 /nfs/dbraw/zinc/64/03/65/1071640365.db2.gz XCMORBLZYOQQSS-YBFXNURJSA-N -1 0 555.812 5.665 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)ccc1Br ZINC000408755932 1071642189 /nfs/dbraw/zinc/64/21/89/1071642189.db2.gz SLKNXBQVPKNIJC-UDWIEESQSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)ccc1Br ZINC000408755783 1071643273 /nfs/dbraw/zinc/64/32/73/1071643273.db2.gz PHJFSYZLNXPBSW-GIJQJNRQSA-N -1 0 667.123 6.667 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408755626 1071643723 /nfs/dbraw/zinc/64/37/23/1071643723.db2.gz RDXMUPFRBJBLPT-KGENOOAVSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2Br)cc1 ZINC000408755639 1071644347 /nfs/dbraw/zinc/64/43/47/1071644347.db2.gz RLESWEBNDAQDJW-UDWIEESQSA-N -1 0 584.264 6.074 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408755367 1071644384 /nfs/dbraw/zinc/64/43/84/1071644384.db2.gz UJKUXVWYWNPTAD-FYJGNVAPSA-N -1 0 569.839 6.055 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408755116 1071646515 /nfs/dbraw/zinc/64/65/15/1071646515.db2.gz PSDAJIHRAJNQOE-YDZHTSKRSA-N -1 0 650.323 6.927 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C2=O)ccc1Br ZINC000408753037 1071660315 /nfs/dbraw/zinc/66/03/15/1071660315.db2.gz KYFLHEFZHVQOKI-USHMODERSA-N -1 0 647.485 7.457 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408751946 1071667922 /nfs/dbraw/zinc/66/79/22/1071667922.db2.gz DYWRCFDSKWJSBZ-RGVLZGJSSA-N -1 0 614.290 6.082 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Br ZINC000408751948 1071667932 /nfs/dbraw/zinc/66/79/32/1071667932.db2.gz AOVAQXRNASLFOO-GDNBJRDFSA-N -1 0 530.718 5.246 40 10 KKCBRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)cc1 ZINC000408760225 1071697990 /nfs/dbraw/zinc/69/79/90/1071697990.db2.gz USXSHMYCLPDUBQ-KBVAKVRCSA-N -1 0 547.699 6.791 40 10 KKCBRM CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409009425 1071695619 /nfs/dbraw/zinc/69/56/19/1071695619.db2.gz FPFAIGAMYXSMFX-LDADJPATSA-N -1 0 515.374 5.515 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(I)c3)C2=O)ccc1Br ZINC000408760362 1071696946 /nfs/dbraw/zinc/69/69/46/1071696946.db2.gz XIMMDYTZKWOGJQ-WOJGMQOQSA-N -1 0 651.682 6.261 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(I)c3)C2=O)ccc1Br ZINC000408760203 1071697338 /nfs/dbraw/zinc/69/73/38/1071697338.db2.gz UKAFDFGNZAIEIZ-XDHOZWIPSA-N -1 0 617.237 5.608 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408758777 1071703431 /nfs/dbraw/zinc/70/34/31/1071703431.db2.gz RANXCBXRHQQPEX-YDZHTSKRSA-N -1 0 697.323 6.769 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409017080 1071704448 /nfs/dbraw/zinc/70/44/48/1071704448.db2.gz WHMLUJVKMHNMQK-WPWMEQJKSA-N -1 0 572.086 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408758685 1071704562 /nfs/dbraw/zinc/70/45/62/1071704562.db2.gz PELIIXUEEAWKDW-FYJGNVAPSA-N -1 0 580.391 5.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408757859 1071708766 /nfs/dbraw/zinc/70/87/66/1071708766.db2.gz DJJVMXPMQPXGAV-QGMBQPNBSA-N -1 0 716.153 6.923 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc4ccccc43)C2=O)ccc1Br ZINC000408757629 1071711041 /nfs/dbraw/zinc/71/10/41/1071711041.db2.gz BAHSGILLPBRTMS-LFVJCYFKSA-N -1 0 541.401 6.156 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409022529 1071718943 /nfs/dbraw/zinc/71/89/43/1071718943.db2.gz AGLRRABSKMZYFT-RGVLZGJSSA-N -1 0 512.404 5.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408765929 1071722064 /nfs/dbraw/zinc/72/20/64/1071722064.db2.gz RTYNZIQALQNLDL-DJKKODMXSA-N -1 0 730.180 7.313 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408765757 1071722327 /nfs/dbraw/zinc/72/23/27/1071722327.db2.gz NRQYHNWWYRXXHB-NDENLUEZSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Br)c4)o3)C2=O)ccc1Br ZINC000408765624 1071723345 /nfs/dbraw/zinc/72/33/45/1071723345.db2.gz ZBURREBCWRJAKT-GZTJUZNOSA-N -1 0 530.172 5.446 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409020817 1071724729 /nfs/dbraw/zinc/72/47/29/1071724729.db2.gz UFPNOWTWRWFNEW-ODLFYWEKSA-N -1 0 500.407 5.241 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408764067 1071730168 /nfs/dbraw/zinc/73/01/68/1071730168.db2.gz LCMKUAHMTHYONT-GIJQJNRQSA-N -1 0 649.679 6.327 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C2=O)ccc1Br ZINC000408763671 1071731817 /nfs/dbraw/zinc/73/18/17/1071731817.db2.gz QDNKNWPKMAARMJ-CPNJWEJPSA-N -1 0 525.786 5.656 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408763674 1071731918 /nfs/dbraw/zinc/73/19/18/1071731918.db2.gz OODGRCRZMJBHFU-GIJQJNRQSA-N -1 0 730.578 7.023 40 10 KKCBRM CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409017316 1071736139 /nfs/dbraw/zinc/73/61/39/1071736139.db2.gz MRKJUMHGCAQMSY-HYARGMPZSA-N -1 0 522.026 5.399 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(I)c3)C2=O)ccc1Br ZINC000408761845 1071738107 /nfs/dbraw/zinc/73/81/07/1071738107.db2.gz HYGGZCZPPKREHO-OEAKJJBVSA-N -1 0 667.297 6.761 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408762011 1071737534 /nfs/dbraw/zinc/73/75/34/1071737534.db2.gz JGTMFRFGRWCHMA-YDZHTSKRSA-N -1 0 605.872 6.818 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408763033 1071733625 /nfs/dbraw/zinc/73/36/25/1071733625.db2.gz NDXOPOMVXHJGON-DJKKODMXSA-N -1 0 613.848 5.784 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408762753 1071735037 /nfs/dbraw/zinc/73/50/37/1071735037.db2.gz MCCGUUWPBQAGRO-VXLYETTFSA-N -1 0 600.809 5.573 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)c1 ZINC000408776212 1071751477 /nfs/dbraw/zinc/75/14/77/1071751477.db2.gz VHRQOZVAKQFUCQ-UFWORHAWSA-N -1 0 608.703 7.272 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408776041 1071751978 /nfs/dbraw/zinc/75/19/78/1071751978.db2.gz MRHBNULTPMPBRA-KEBDBYFISA-N -1 0 604.284 6.708 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408776720 1071747993 /nfs/dbraw/zinc/74/79/93/1071747993.db2.gz PZGJGSCFSHEQJM-FRKPEAEDSA-N -1 0 659.545 7.417 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408775605 1071754120 /nfs/dbraw/zinc/75/41/20/1071754120.db2.gz IOLHOCJNHBUINK-WSDLNYQXSA-N -1 0 567.411 5.849 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408775586 1071754151 /nfs/dbraw/zinc/75/41/51/1071754151.db2.gz IJPZDIOBOHXNCR-WSDLNYQXSA-N -1 0 596.264 7.155 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(I)c(C)c4)c3C)C2=O)c1 ZINC000408775423 1071754951 /nfs/dbraw/zinc/75/49/51/1071754951.db2.gz HDFMNXFILVQXPU-LPYMAVHISA-N -1 0 569.399 5.072 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408775367 1071756302 /nfs/dbraw/zinc/75/63/02/1071756302.db2.gz GDRYQVLONABCEI-DJKKODMXSA-N -1 0 590.257 6.318 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)cc1 ZINC000408774789 1071757931 /nfs/dbraw/zinc/75/79/31/1071757931.db2.gz CYKITMKXVKBEDQ-BUVRLJJBSA-N -1 0 541.401 6.156 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408775034 1071758009 /nfs/dbraw/zinc/75/80/09/1071758009.db2.gz FDTLYJXQJITHTD-UFFVCSGVSA-N -1 0 548.979 5.330 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408775036 1071758039 /nfs/dbraw/zinc/75/80/39/1071758039.db2.gz ZYNGLRKNLMOKRN-FYJGNVAPSA-N -1 0 584.435 5.019 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408774408 1071761166 /nfs/dbraw/zinc/76/11/66/1071761166.db2.gz VXGNLUXHOLIWDO-LDADJPATSA-N -1 0 501.753 5.892 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C2=O)c1 ZINC000408774743 1071759535 /nfs/dbraw/zinc/75/95/35/1071759535.db2.gz XTPLNTCHRUVUQZ-VXLYETTFSA-N -1 0 712.709 6.411 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(I)c3)C2=O)cc1 ZINC000408774533 1071760113 /nfs/dbraw/zinc/76/01/13/1071760113.db2.gz PEONSUQWNSUUST-FYJGNVAPSA-N -1 0 552.368 5.153 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408774578 1071760564 /nfs/dbraw/zinc/76/05/64/1071760564.db2.gz PKIFINKZZHOGOO-RGVLZGJSSA-N -1 0 539.357 5.151 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(I)c3)C2=O)c1 ZINC000408774139 1071763583 /nfs/dbraw/zinc/76/35/83/1071763583.db2.gz BGVKDFKNAGNSHH-UDWIEESQSA-N -1 0 586.813 5.807 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408773774 1071765099 /nfs/dbraw/zinc/76/50/99/1071765099.db2.gz SKPBTGOQKCWBEB-LPYMAVHISA-N -1 0 506.400 5.448 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408773723 1071766310 /nfs/dbraw/zinc/76/63/10/1071766310.db2.gz WXDLXPRYPNCORZ-WSDLNYQXSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408772571 1071773362 /nfs/dbraw/zinc/77/33/62/1071773362.db2.gz CYYFXDLGJUPPHO-VXLYETTFSA-N -1 0 604.284 6.708 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408772608 1071771580 /nfs/dbraw/zinc/77/15/80/1071771580.db2.gz PUUHZYIVCPMLPS-REZTVBANSA-N -1 0 684.754 7.071 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408772773 1071771793 /nfs/dbraw/zinc/77/17/93/1071771793.db2.gz RBTKRLRRYGGTHO-YBFXNURJSA-N -1 0 545.806 6.291 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(I)c3)C2=O)c1 ZINC000408771767 1071777744 /nfs/dbraw/zinc/77/77/44/1071777744.db2.gz IUAITIHERHZHKO-CIAFOILYSA-N -1 0 678.264 5.758 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Br)cc1 ZINC000408771309 1071781271 /nfs/dbraw/zinc/78/12/71/1071781271.db2.gz FTNKYAHSJDOLAT-LPYMAVHISA-N -1 0 519.395 5.620 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408771234 1071782168 /nfs/dbraw/zinc/78/21/68/1071782168.db2.gz GFKRLSCCOQKCPX-CEUNXORHSA-N -1 0 562.647 6.329 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)C2=O)c1 ZINC000408770918 1071783866 /nfs/dbraw/zinc/78/38/66/1071783866.db2.gz CLGDPLZZXKYLPF-KEBDBYFISA-N -1 0 621.258 6.460 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000408770981 1071784453 /nfs/dbraw/zinc/78/44/53/1071784453.db2.gz CYQJNBHBTAVGCM-VXLYETTFSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408769704 1071790287 /nfs/dbraw/zinc/79/02/87/1071790287.db2.gz ZSWYYENPNARZBN-HYARGMPZSA-N -1 0 601.572 5.673 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C2=O)cc1 ZINC000408769585 1071791830 /nfs/dbraw/zinc/79/18/30/1071791830.db2.gz WFOROHVCMICBJH-OKCVXOCRSA-N -1 0 549.671 6.237 40 10 KKCBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000408769401 1071792512 /nfs/dbraw/zinc/79/25/12/1071792512.db2.gz SYGFFRGRKFZQMP-UDWIEESQSA-N -1 0 526.014 5.269 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408767794 1071805164 /nfs/dbraw/zinc/80/51/64/1071805164.db2.gz OJBGKIQNZXUBAK-HZHRSRAPSA-N -1 0 596.959 6.681 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408782354 1071812544 /nfs/dbraw/zinc/81/25/44/1071812544.db2.gz HGWYYIYXBWJUFD-ZVHZXABRSA-N -1 0 601.959 6.023 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408781902 1071814800 /nfs/dbraw/zinc/81/48/00/1071814800.db2.gz FVKNAEOCXNXGEL-GZTJUZNOSA-N -1 0 549.277 5.995 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2 ZINC000408781698 1071815042 /nfs/dbraw/zinc/81/50/42/1071815042.db2.gz DBROMBMMLDFDRO-YBFXNURJSA-N -1 0 555.768 5.077 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408781594 1071816764 /nfs/dbraw/zinc/81/67/64/1071816764.db2.gz CDCLVZVARNNYSC-OMCISZLKSA-N -1 0 678.672 7.682 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408781586 1071816981 /nfs/dbraw/zinc/81/69/81/1071816981.db2.gz UPQAVGZAVYLWQX-RGVLZGJSSA-N -1 0 555.812 5.665 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408781568 1071816999 /nfs/dbraw/zinc/81/69/99/1071816999.db2.gz BXALYXOYCSPJHA-OEAKJJBVSA-N -1 0 551.813 7.045 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408781480 1071818218 /nfs/dbraw/zinc/81/82/18/1071818218.db2.gz SVOLYZVKIAGNRW-WUXMJOGZSA-N -1 0 547.711 5.195 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C2=O)cc1 ZINC000408780485 1071823725 /nfs/dbraw/zinc/82/37/25/1071823725.db2.gz ZQXADCAXZUBFLB-MFKUBSTISA-N -1 0 597.540 5.378 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408781032 1071821287 /nfs/dbraw/zinc/82/12/87/1071821287.db2.gz QFPFFKAYKDZRGV-WSDLNYQXSA-N -1 0 675.317 6.315 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408781327 1071819439 /nfs/dbraw/zinc/81/94/39/1071819439.db2.gz BOIAPOQCRNIQJV-ZVHZXABRSA-N -1 0 605.872 6.900 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000408780952 1071820457 /nfs/dbraw/zinc/82/04/57/1071820457.db2.gz OGILGVWVGOPXOJ-MHWRWJLKSA-N -1 0 605.858 6.308 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1 ZINC000408780945 1071820499 /nfs/dbraw/zinc/82/04/99/1071820499.db2.gz OAMAROQFACTSHV-VXLYETTFSA-N -1 0 635.227 5.747 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409047088 1071826214 /nfs/dbraw/zinc/82/62/14/1071826214.db2.gz MVUJWIOVDZUHKO-VXLYETTFSA-N -1 0 631.233 5.374 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408780128 1071826196 /nfs/dbraw/zinc/82/61/96/1071826196.db2.gz SWLIKOKTGVYVQR-GIJQJNRQSA-N -1 0 660.861 5.672 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409047106 1071826346 /nfs/dbraw/zinc/82/63/46/1071826346.db2.gz NBLGCBTYYRENNK-VXLYETTFSA-N -1 0 501.297 5.084 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000409047099 1071826486 /nfs/dbraw/zinc/82/64/86/1071826486.db2.gz NAOYRIUQTFYTTQ-YBFXNURJSA-N -1 0 634.708 6.509 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409047057 1071827427 /nfs/dbraw/zinc/82/74/27/1071827427.db2.gz MKLOUAHZTFEFMJ-CAOOACKPSA-N -1 0 703.996 7.526 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408779758 1071827466 /nfs/dbraw/zinc/82/74/66/1071827466.db2.gz JXRVHWXHVPCEGC-WSDLNYQXSA-N -1 0 596.421 5.470 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409046788 1071828032 /nfs/dbraw/zinc/82/80/32/1071828032.db2.gz MCOUUNZCOOXXQS-PJQLUOCWSA-N -1 0 693.990 8.071 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408779541 1071829728 /nfs/dbraw/zinc/82/97/28/1071829728.db2.gz YDAFGLNBGOANRW-YBFXNURJSA-N -1 0 556.756 5.256 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409046673 1071829680 /nfs/dbraw/zinc/82/96/80/1071829680.db2.gz LCWUFMLAHWEGJW-MFKUBSTISA-N -1 0 696.779 7.689 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409047236 1071825702 /nfs/dbraw/zinc/82/57/02/1071825702.db2.gz NTBWNNLUNXUTHB-YBFXNURJSA-N -1 0 558.805 5.639 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1 ZINC000409046504 1071830796 /nfs/dbraw/zinc/83/07/96/1071830796.db2.gz KKXHRDAPVKDGDL-OVVQPSECSA-N -1 0 626.463 5.712 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408779259 1071831481 /nfs/dbraw/zinc/83/14/81/1071831481.db2.gz SVUKLFBBCIBNEB-JJIBRWJFSA-N -1 0 526.390 5.882 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408779081 1071832018 /nfs/dbraw/zinc/83/20/18/1071832018.db2.gz QLLKOZQOMFLAHN-CAOOACKPSA-N -1 0 636.282 6.027 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409046281 1071833994 /nfs/dbraw/zinc/83/39/94/1071833994.db2.gz JVCSTTNZVSJRJH-AFUMVMLFSA-N -1 0 607.877 7.471 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409046080 1071835065 /nfs/dbraw/zinc/83/50/65/1071835065.db2.gz IJBVSGHQWCMGQC-RQZCQDPDSA-N -1 0 606.654 5.816 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409046111 1071835391 /nfs/dbraw/zinc/83/53/91/1071835391.db2.gz IPEFBMGBTLQCAJ-TURZUDJPSA-N -1 0 561.594 5.258 40 10 KKCBRM Cc1ccc(N=Nc2ccc(N3C(=O)[C@@H](OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)=C3[O-])cc2)cc1 ZINC000409293205 1071842702 /nfs/dbraw/zinc/84/27/02/1071842702.db2.gz HFPCJAPFFLAUIZ-QSNXDLDHSA-N -1 0 533.540 5.735 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4c(c3)OCO4)C2=O)c1 ZINC000408777732 1071841342 /nfs/dbraw/zinc/84/13/42/1071841342.db2.gz HINFDYJHYREGKV-CIAFOILYSA-N -1 0 549.377 5.040 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408778724 1071836550 /nfs/dbraw/zinc/83/65/50/1071836550.db2.gz XPHQFUAOCGHSTH-RGVLZGJSSA-N -1 0 637.257 6.242 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409045782 1071837874 /nfs/dbraw/zinc/83/78/74/1071837874.db2.gz HZQDFDRIBYJQSP-VCHYOVAHSA-N -1 0 633.282 5.839 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409045631 1071838887 /nfs/dbraw/zinc/83/88/87/1071838887.db2.gz GTQODCJGBGZSMG-VIZOYTHASA-N -1 0 554.188 6.685 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1 ZINC000408778230 1071838946 /nfs/dbraw/zinc/83/89/46/1071838946.db2.gz RHLGQPWVCRIBJH-VXLYETTFSA-N -1 0 696.133 6.370 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408777426 1071842574 /nfs/dbraw/zinc/84/25/74/1071842574.db2.gz YXEGTQDSJPGSRN-OEAKJJBVSA-N -1 0 549.421 5.710 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409045713 1071839438 /nfs/dbraw/zinc/83/94/38/1071839438.db2.gz HHVPYPWXBLLMAH-RQZCQDPDSA-N -1 0 689.165 6.261 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409044837 1071846055 /nfs/dbraw/zinc/84/60/55/1071846055.db2.gz DPVQTMNXAWIBQL-AFUMVMLFSA-N -1 0 607.877 7.471 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000409044575 1071849069 /nfs/dbraw/zinc/84/90/69/1071849069.db2.gz VZJNCRKRVODXLJ-CIAFOILYSA-N -1 0 634.708 6.509 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C1=O ZINC000409044217 1071850901 /nfs/dbraw/zinc/85/09/01/1071850901.db2.gz ULQRTSPOWYQYNX-QGMBQPNBSA-N -1 0 550.225 6.854 40 10 KKCBRM Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2I)cc1 ZINC000408786206 1071851637 /nfs/dbraw/zinc/85/16/37/1071851637.db2.gz GZPCJKLZEDURIM-RGVLZGJSSA-N -1 0 631.264 5.916 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409044235 1071851711 /nfs/dbraw/zinc/85/17/11/1071851711.db2.gz USEVOUZTWKUVMA-UBKPWBPPSA-N -1 0 581.195 6.454 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c1 ZINC000408785810 1071855035 /nfs/dbraw/zinc/85/50/35/1071855035.db2.gz ZOUVYSMLPQAXFK-VCHYOVAHSA-N -1 0 575.952 6.507 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409043668 1071857591 /nfs/dbraw/zinc/85/75/91/1071857591.db2.gz SYHRBNJFUQADMV-QGMBQPNBSA-N -1 0 552.197 6.251 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408785094 1071859987 /nfs/dbraw/zinc/85/99/87/1071859987.db2.gz XNLHFJOKUPDSGN-WSDLNYQXSA-N -1 0 549.967 5.509 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408784148 1071865338 /nfs/dbraw/zinc/86/53/38/1071865338.db2.gz SQKONIDOBOOICD-DJKKODMXSA-N -1 0 681.200 6.393 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409042623 1071867479 /nfs/dbraw/zinc/86/74/79/1071867479.db2.gz NTIFJSDUOOZKLF-KEBDBYFISA-N -1 0 598.837 5.103 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408783516 1071870383 /nfs/dbraw/zinc/87/03/83/1071870383.db2.gz MHPINNKDDHZNEL-OVCLIPMQSA-N -1 0 606.853 5.643 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408797138 1071876159 /nfs/dbraw/zinc/87/61/59/1071876159.db2.gz GGWZFYRUOOMODZ-YBFXNURJSA-N -1 0 527.758 5.054 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000409042370 1071872174 /nfs/dbraw/zinc/87/21/74/1071872174.db2.gz MPNAZRCXJFZTJN-FRKPEAEDSA-N -1 0 584.670 7.507 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408783209 1071872352 /nfs/dbraw/zinc/87/23/52/1071872352.db2.gz LCFRSTHJGZMPCX-MZJWZYIUSA-N -1 0 564.598 5.916 40 10 KKCBRM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409042150 1071872905 /nfs/dbraw/zinc/87/29/05/1071872905.db2.gz WGCHDLFCKISFCT-MKMNVTDBSA-N -1 0 754.187 6.675 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000408797106 1071877349 /nfs/dbraw/zinc/87/73/49/1071877349.db2.gz BEVOLCIRYYPBKS-WOJGMQOQSA-N -1 0 570.783 5.565 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408797249 1071877384 /nfs/dbraw/zinc/87/73/84/1071877384.db2.gz CAMQRFNDDAQKRT-OVVQPSECSA-N -1 0 549.539 5.419 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000408782861 1071874374 /nfs/dbraw/zinc/87/43/74/1071874374.db2.gz KLLVJONTYVOTKG-KOEQRZSOSA-N -1 0 546.048 6.152 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408782866 1071874422 /nfs/dbraw/zinc/87/44/22/1071874422.db2.gz KDQDMLOWARYHLO-GIJQJNRQSA-N -1 0 682.652 5.861 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409041091 1071882370 /nfs/dbraw/zinc/88/23/70/1071882370.db2.gz IFNLNJQKXZZFPP-GIJQJNRQSA-N -1 0 517.752 5.598 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408794689 1071884673 /nfs/dbraw/zinc/88/46/73/1071884673.db2.gz ATYVMGKCCNNPHB-BUVRLJJBSA-N -1 0 572.371 5.756 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408794670 1071884725 /nfs/dbraw/zinc/88/47/25/1071884725.db2.gz APSKMOMYZHKIED-WGOQTCKBSA-N -1 0 556.977 6.304 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409041183 1071883627 /nfs/dbraw/zinc/88/36/27/1071883627.db2.gz IZXADXIAJIEXMY-QGMBQPNBSA-N -1 0 635.652 6.019 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409041212 1071883751 /nfs/dbraw/zinc/88/37/51/1071883751.db2.gz JEDPNHNRDBSIPB-OGLMXYFKSA-N -1 0 684.543 6.419 40 10 KKCBRM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408797118 1071878017 /nfs/dbraw/zinc/87/80/17/1071878017.db2.gz BGTXXNKLHPJKBT-CXUHLZMHSA-N -1 0 521.795 5.265 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408796044 1071880520 /nfs/dbraw/zinc/88/05/20/1071880520.db2.gz CULKNKLUEQVUMW-WGOQTCKBSA-N -1 0 617.883 6.927 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)sc2=N1 ZINC000409040780 1071888059 /nfs/dbraw/zinc/88/80/59/1071888059.db2.gz UOOWFMKFHURVNK-MIUGUJGPSA-N -1 0 678.605 5.455 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2I)cc1 ZINC000408790601 1071892880 /nfs/dbraw/zinc/89/28/80/1071892880.db2.gz SPCRCVZCFJSJMX-SRZZPIQSSA-N -1 0 692.291 6.066 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409039589 1071898553 /nfs/dbraw/zinc/89/85/53/1071898553.db2.gz CRSVAJNWQMIAFJ-VXLYETTFSA-N -1 0 542.331 5.156 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409039725 1071896856 /nfs/dbraw/zinc/89/68/56/1071896856.db2.gz DECPOAKYUYJWKG-CIAFOILYSA-N -1 0 645.260 5.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408788803 1071897135 /nfs/dbraw/zinc/89/71/35/1071897135.db2.gz HMVSSQDZJAQWBB-VXLYETTFSA-N -1 0 684.836 6.916 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408806475 1071903818 /nfs/dbraw/zinc/90/38/18/1071903818.db2.gz JHYHFDKRKIOMDF-RGVLZGJSSA-N -1 0 541.785 5.357 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000408805469 1071906381 /nfs/dbraw/zinc/90/63/81/1071906381.db2.gz KISOSYCGTZPKIX-XSFVSMFZSA-N -1 0 551.813 7.045 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408805941 1071905113 /nfs/dbraw/zinc/90/51/13/1071905113.db2.gz CTVMSGLGKYSVFL-RGVLZGJSSA-N -1 0 508.933 5.350 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408806858 1071902489 /nfs/dbraw/zinc/90/24/89/1071902489.db2.gz CADHQXUVAZIVGB-LDADJPATSA-N -1 0 546.204 6.001 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408806837 1071902577 /nfs/dbraw/zinc/90/25/77/1071902577.db2.gz BYPLQCNCVHXIOW-VXLYETTFSA-N -1 0 560.231 6.310 40 10 KKCBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408806840 1071902591 /nfs/dbraw/zinc/90/25/91/1071902591.db2.gz BXSXHUZOFJFODF-HZHRSRAPSA-N -1 0 534.996 5.773 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408805260 1071906992 /nfs/dbraw/zinc/90/69/92/1071906992.db2.gz FNQIWQSUCKSLIK-GZTJUZNOSA-N -1 0 541.785 5.357 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409038581 1071907842 /nfs/dbraw/zinc/90/78/42/1071907842.db2.gz ABGDIGQQUDHARI-LDADJPATSA-N -1 0 598.837 5.185 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408804444 1071909402 /nfs/dbraw/zinc/90/94/02/1071909402.db2.gz GAVLNHDASLYMSY-WPWMEQJKSA-N -1 0 674.491 6.514 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408802741 1071911207 /nfs/dbraw/zinc/91/12/07/1071911207.db2.gz GTRRBVLCXGCLQH-UDWIEESQSA-N -1 0 511.361 5.556 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409049476 1071912902 /nfs/dbraw/zinc/91/29/02/1071912902.db2.gz XBTZCTPBPBJFFG-SRZZPIQSSA-N -1 0 659.864 5.336 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409048949 1071914459 /nfs/dbraw/zinc/91/44/59/1071914459.db2.gz VDIPHHJBWZXPGX-VXLYETTFSA-N -1 0 580.649 6.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409048966 1071914483 /nfs/dbraw/zinc/91/44/83/1071914483.db2.gz VEZHWJJSNMKDEN-VCHYOVAHSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409047411 1071915704 /nfs/dbraw/zinc/91/57/04/1071915704.db2.gz ONQSUPXOVSUKHK-ZVHZXABRSA-N -1 0 696.779 7.689 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1 ZINC000409053903 1071937747 /nfs/dbraw/zinc/93/77/47/1071937747.db2.gz DKTIRVDORQRTDI-XDHOZWIPSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1 ZINC000409050053 1071960608 /nfs/dbraw/zinc/96/06/08/1071960608.db2.gz SGOXLGJUSUYBKC-LICLKQGHSA-N -1 0 668.747 5.916 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409049951 1071961712 /nfs/dbraw/zinc/96/17/12/1071961712.db2.gz RRHMAVSARULZGX-CVKSISIWSA-N -1 0 591.422 6.957 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1 ZINC000409049787 1071962171 /nfs/dbraw/zinc/96/21/71/1071962171.db2.gz YSHCLBUMRPRYQJ-UDWIEESQSA-N -1 0 545.806 6.291 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1 ZINC000409049239 1071966908 /nfs/dbraw/zinc/96/69/08/1071966908.db2.gz VUVPDCYNXSTMLJ-MFKUBSTISA-N -1 0 650.323 7.009 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409049610 1071963509 /nfs/dbraw/zinc/96/35/09/1071963509.db2.gz XFSXCCWKIZCUPY-WGOQTCKBSA-N -1 0 703.489 5.563 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409049631 1071963525 /nfs/dbraw/zinc/96/35/25/1071963525.db2.gz XKZQZTILIZZWAQ-CAOOACKPSA-N -1 0 659.545 7.417 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1 ZINC000409049652 1071963904 /nfs/dbraw/zinc/96/39/04/1071963904.db2.gz XOTQBNHEQJNFOD-WPWMEQJKSA-N -1 0 640.490 6.020 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000409048756 1071968826 /nfs/dbraw/zinc/96/88/26/1071968826.db2.gz TYMHVDRXSNKLBE-VXLYETTFSA-N -1 0 515.324 5.387 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1 ZINC000409048575 1071969918 /nfs/dbraw/zinc/96/99/18/1071969918.db2.gz SEONKACQWSBKAP-RGVLZGJSSA-N -1 0 632.236 5.383 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409047573 1071978734 /nfs/dbraw/zinc/97/87/34/1071978734.db2.gz OLQIQHYEYAIZHC-YDZHTSKRSA-N -1 0 685.166 7.373 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409047849 1071976134 /nfs/dbraw/zinc/97/61/34/1071976134.db2.gz PVLKLPZGABFCOQ-YBFXNURJSA-N -1 0 590.655 6.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409059246 1071982167 /nfs/dbraw/zinc/98/21/67/1071982167.db2.gz VRQGVASDDNEROB-GIJQJNRQSA-N -1 0 519.743 6.031 40 10 KKCBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409059171 1071983448 /nfs/dbraw/zinc/98/34/48/1071983448.db2.gz USWLTEKRWPQXNE-MDWZMJQESA-N -1 0 542.611 5.239 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409058151 1071989650 /nfs/dbraw/zinc/98/96/50/1071989650.db2.gz RSOQULGBYBCTGU-VCHYOVAHSA-N -1 0 588.831 5.729 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409065051 1071995799 /nfs/dbraw/zinc/99/57/99/1071995799.db2.gz FWEXSYODQYWIJH-YBFXNURJSA-N -1 0 698.729 5.086 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)[N-]C1=S ZINC000409066879 1072000124 /nfs/dbraw/zinc/00/01/24/1072000124.db2.gz CXMYUYHIXDMQFN-SFQUDFHCSA-N -1 0 500.805 5.033 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409063658 1072020325 /nfs/dbraw/zinc/02/03/25/1072020325.db2.gz DFXVPSKULLRWLS-YBFXNURJSA-N -1 0 731.746 5.540 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409076954 1072045405 /nfs/dbraw/zinc/04/54/05/1072045405.db2.gz COXTUDAZGZDDKS-GIDUJCDVSA-N -1 0 700.174 6.506 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075686 1072059580 /nfs/dbraw/zinc/05/95/80/1072059580.db2.gz TXTQVGHVUVPOCZ-XDHOZWIPSA-N -1 0 551.791 5.081 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 ZINC000409074921 1072065808 /nfs/dbraw/zinc/06/58/08/1072065808.db2.gz OIQKWIRTPQARTR-LFVJCYFKSA-N -1 0 517.651 5.285 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074230 1072068326 /nfs/dbraw/zinc/06/83/26/1072068326.db2.gz SOMWVIOETGOLME-YBFXNURJSA-N -1 0 595.844 5.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073722 1072073418 /nfs/dbraw/zinc/07/34/18/1072073418.db2.gz HYUGLVAMIFHDSU-WOJGMQOQSA-N -1 0 551.791 5.081 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409073443 1072075806 /nfs/dbraw/zinc/07/58/06/1072075806.db2.gz NCCGUCKEQWXYFI-XDHOZWIPSA-N -1 0 650.301 5.044 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409073481 1072076124 /nfs/dbraw/zinc/07/61/24/1072076124.db2.gz ZFIWFZXWRGEPKB-CAOOACKPSA-N -1 0 675.138 5.953 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409073136 1072077428 /nfs/dbraw/zinc/07/74/28/1072077428.db2.gz XNAYTLIMHCBZGA-LICLKQGHSA-N -1 0 640.295 5.589 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072997 1072078996 /nfs/dbraw/zinc/07/89/96/1072078996.db2.gz WRLNRQYQMQYTLM-YBFXNURJSA-N -1 0 551.791 5.081 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409072283 1072084345 /nfs/dbraw/zinc/08/43/45/1072084345.db2.gz MYFRXKBMFAFMMN-MUFRIFMGSA-N -1 0 569.126 7.625 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071506 1072088632 /nfs/dbraw/zinc/08/86/32/1072088632.db2.gz PDAVPOKUWFTBKR-VXLYETTFSA-N -1 0 701.322 5.739 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409071142 1072092118 /nfs/dbraw/zinc/09/21/18/1072092118.db2.gz FASCJWQBHJMCTB-LICLKQGHSA-N -1 0 595.844 5.480 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070526 1072095000 /nfs/dbraw/zinc/09/50/00/1072095000.db2.gz ZMEFHSLCHPNLJL-VCHYOVAHSA-N -1 0 685.690 5.207 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409069999 1072097542 /nfs/dbraw/zinc/09/75/42/1072097542.db2.gz ZDEYFOAQKXPFLH-XSFVSMFZSA-N -1 0 504.373 6.221 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069678 1072102135 /nfs/dbraw/zinc/10/21/35/1072102135.db2.gz WYHJWNWQGGHJBZ-RQZCQDPDSA-N -1 0 721.740 6.084 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1Cl ZINC000409069345 1072104256 /nfs/dbraw/zinc/10/42/56/1072104256.db2.gz XIJVJINHQDACSQ-VCHYOVAHSA-N -1 0 654.720 5.608 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1Cl ZINC000409068311 1072112799 /nfs/dbraw/zinc/11/27/99/1072112799.db2.gz AFLXXXCCSFEOOP-CAOOACKPSA-N -1 0 600.263 6.043 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068055 1072114859 /nfs/dbraw/zinc/11/48/59/1072114859.db2.gz HEPCPKOFRXHRNT-GIJQJNRQSA-N -1 0 673.268 5.041 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409068417 1072111225 /nfs/dbraw/zinc/11/12/25/1072111225.db2.gz RJSJKKQFXGHNLK-WOJGMQOQSA-N -1 0 640.693 5.299 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409080631 1072122312 /nfs/dbraw/zinc/12/23/12/1072122312.db2.gz NLJDVEWKINDTRJ-MHWRWJLKSA-N -1 0 626.268 5.199 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409067625 1072117024 /nfs/dbraw/zinc/11/70/24/1072117024.db2.gz GNPDRTYGYPVWGR-YZSQISJMSA-N -1 0 556.087 6.466 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409080919 1072119666 /nfs/dbraw/zinc/11/96/66/1072119666.db2.gz OMFZNILXVFFCMA-VCHYOVAHSA-N -1 0 650.360 6.242 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080938 1072119670 /nfs/dbraw/zinc/11/96/70/1072119670.db2.gz OJQYELFHQQVCIA-OVCLIPMQSA-N -1 0 645.171 7.142 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409080156 1072126505 /nfs/dbraw/zinc/12/65/05/1072126505.db2.gz MDGXDVLORZWCBD-WOJGMQOQSA-N -1 0 557.437 5.090 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079156 1072138583 /nfs/dbraw/zinc/13/85/83/1072138583.db2.gz KFVPOUFACJFCNM-LZYBPNLTSA-N -1 0 671.176 6.303 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409079165 1072138650 /nfs/dbraw/zinc/13/86/50/1072138650.db2.gz KVUHHOLLWDMNLP-OEAKJJBVSA-N -1 0 682.405 7.414 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078757 1072140381 /nfs/dbraw/zinc/14/03/81/1072140381.db2.gz CVQPHEXMCBKWRZ-CXUHLZMHSA-N -1 0 561.856 5.734 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1C ZINC000409078473 1072143506 /nfs/dbraw/zinc/14/35/06/1072143506.db2.gz IHLMHZZRXLRAEQ-YBFXNURJSA-N -1 0 634.302 5.263 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086975 1072159663 /nfs/dbraw/zinc/15/96/63/1072159663.db2.gz XQTXQTOMVJTIAW-ZVHZXABRSA-N -1 0 726.458 7.813 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409077399 1072156786 /nfs/dbraw/zinc/15/67/86/1072156786.db2.gz FNOSVNVYZOUWOQ-WOJGMQOQSA-N -1 0 561.856 5.734 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409084174 1072191853 /nfs/dbraw/zinc/19/18/53/1072191853.db2.gz AEUHVUNTMBTJGZ-DIBXZPPDSA-N -1 0 518.569 6.197 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083071 1072204867 /nfs/dbraw/zinc/20/48/67/1072204867.db2.gz ULWCGXOKLRTSQO-CXUHLZMHSA-N -1 0 668.806 7.195 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081731 1072219846 /nfs/dbraw/zinc/21/98/46/1072219846.db2.gz KXPZUFGPFLDCHQ-RQZCQDPDSA-N -1 0 576.827 5.634 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409081485 1072223591 /nfs/dbraw/zinc/22/35/91/1072223591.db2.gz PLIJMLAEHNTVAZ-BOPFTXTBSA-N -1 0 545.857 6.034 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081365 1072224955 /nfs/dbraw/zinc/22/49/55/1072224955.db2.gz NVCDXDHKGLSLCX-FRKPEAEDSA-N -1 0 596.301 6.388 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 ZINC000409097016 1072230103 /nfs/dbraw/zinc/23/01/03/1072230103.db2.gz LHWMEPRACACESC-VBKFSLOCSA-N -1 0 503.794 6.464 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl ZINC000409092910 1072259715 /nfs/dbraw/zinc/25/97/15/1072259715.db2.gz WSYLROAYWOBTTR-GIDUJCDVSA-N -1 0 703.649 7.559 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092342 1072262234 /nfs/dbraw/zinc/26/22/34/1072262234.db2.gz UTQNILWSKHICHT-GZTJUZNOSA-N -1 0 589.910 6.433 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091955 1072266568 /nfs/dbraw/zinc/26/65/68/1072266568.db2.gz RWHAEKKXZUBMFA-VCHYOVAHSA-N -1 0 586.435 5.379 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409091195 1072272784 /nfs/dbraw/zinc/27/27/84/1072272784.db2.gz QJAZSUOFJLPKBT-FRKPEAEDSA-N -1 0 703.649 7.559 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091612 1072268798 /nfs/dbraw/zinc/26/87/98/1072268798.db2.gz QKICCASTXNGZAI-LZYBPNLTSA-N -1 0 611.272 6.287 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1C ZINC000409091664 1072269261 /nfs/dbraw/zinc/26/92/61/1072269261.db2.gz SVUFRBCJZOTHJH-GIJQJNRQSA-N -1 0 571.329 5.885 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090539 1072281061 /nfs/dbraw/zinc/28/10/61/1072281061.db2.gz NTQPHSCOEMKONS-LZYBPNLTSA-N -1 0 640.752 6.497 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409088109 1072300584 /nfs/dbraw/zinc/30/05/84/1072300584.db2.gz DECUEPQCPSSVQR-VGOFMYFVSA-N -1 0 614.747 7.341 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409087373 1072307647 /nfs/dbraw/zinc/30/76/47/1072307647.db2.gz YNZACBAABZORGZ-XYGWBWBKSA-N -1 0 580.509 5.541 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)SC2=S)c1 ZINC000409099652 1072324031 /nfs/dbraw/zinc/32/40/31/1072324031.db2.gz RQMPTPVSVHKRSW-MFKUBSTISA-N -1 0 576.493 7.285 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409099196 1072326159 /nfs/dbraw/zinc/32/61/59/1072326159.db2.gz QVAKNXPFCBFNTH-UNOMPAQXSA-N -1 0 575.859 5.492 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409097804 1072335425 /nfs/dbraw/zinc/33/54/25/1072335425.db2.gz HMBDNRURPQTMBK-FYJGNVAPSA-N -1 0 592.395 6.163 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OC(C)C ZINC000409097546 1072336869 /nfs/dbraw/zinc/33/68/69/1072336869.db2.gz MMNLXCBHICIGIC-KPKJPENVSA-N -1 0 575.186 5.060 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409106662 1072341561 /nfs/dbraw/zinc/34/15/61/1072341561.db2.gz OQARGKYJNAFIFA-WSDLNYQXSA-N -1 0 522.560 5.286 40 10 KKCBRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409103958 1072357973 /nfs/dbraw/zinc/35/79/73/1072357973.db2.gz ZXRUDPYOZVFCPN-NTNOMAAHSA-N -1 0 648.785 5.371 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409104318 1072354794 /nfs/dbraw/zinc/35/47/94/1072354794.db2.gz CRQTUIINUDUNQZ-BUVRLJJBSA-N -1 0 511.603 5.096 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1cccs1 ZINC000409332332 1072363028 /nfs/dbraw/zinc/36/30/28/1072363028.db2.gz QTDKUNPWANORTP-ODLFYWEKSA-N -1 0 576.475 5.544 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409331260 1072370847 /nfs/dbraw/zinc/37/08/47/1072370847.db2.gz NFAQEIVLBUSNQD-CIAFOILYSA-N -1 0 510.065 5.951 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409329264 1072387168 /nfs/dbraw/zinc/38/71/68/1072387168.db2.gz CZYAXZTVVVXIGR-MTJSOVHGSA-N -1 0 558.475 5.866 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)[N-]C1=S ZINC000409108905 1072403592 /nfs/dbraw/zinc/40/35/92/1072403592.db2.gz YTWGTEFEBPTVLB-WJDWOHSUSA-N -1 0 501.789 5.502 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409123531 1072415260 /nfs/dbraw/zinc/41/52/60/1072415260.db2.gz CMDSLBOLQJJRAW-OEAKJJBVSA-N -1 0 687.565 5.383 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409125873 1072457226 /nfs/dbraw/zinc/45/72/26/1072457226.db2.gz ACLFWXQMDIRFLX-WSDLNYQXSA-N -1 0 627.463 5.635 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1OC ZINC000409124904 1072462860 /nfs/dbraw/zinc/46/28/60/1072462860.db2.gz BUVFJQMFCDALNK-MTDXEUNCSA-N -1 0 550.611 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409124975 1072463348 /nfs/dbraw/zinc/46/33/48/1072463348.db2.gz CULUGULUNHWQQV-YDZHTSKRSA-N -1 0 624.046 5.685 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409124597 1072466497 /nfs/dbraw/zinc/46/64/97/1072466497.db2.gz BRJKWPJUXAQHEM-HZHRSRAPSA-N -1 0 624.444 5.396 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409339947 1072472380 /nfs/dbraw/zinc/47/23/80/1072472380.db2.gz NDTXMPWWWZQNCX-OEAKJJBVSA-N -1 0 567.714 5.327 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1OC ZINC000409136993 1072475826 /nfs/dbraw/zinc/47/58/26/1072475826.db2.gz VXPLHKQWXCZYMI-QRVIBDJDSA-N -1 0 569.441 6.032 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409135612 1072483853 /nfs/dbraw/zinc/48/38/53/1072483853.db2.gz RLJHKNOOWGLUMU-CIAFOILYSA-N -1 0 658.343 6.250 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1OC ZINC000409134660 1072491647 /nfs/dbraw/zinc/49/16/47/1072491647.db2.gz XABSIFSCQDZINB-IWIPYMOSSA-N -1 0 534.996 5.378 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409134161 1072493938 /nfs/dbraw/zinc/49/39/38/1072493938.db2.gz NWHILMNVJKDVIY-LPYMAVHISA-N -1 0 587.431 6.171 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133519 1072497700 /nfs/dbraw/zinc/49/77/00/1072497700.db2.gz LETSBUMEYFQMIQ-BUVRLJJBSA-N -1 0 562.594 5.263 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409133599 1072498363 /nfs/dbraw/zinc/49/83/63/1072498363.db2.gz LRJRHVIGZCOPDH-YDZHTSKRSA-N -1 0 657.945 6.540 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)cc1OC ZINC000409133147 1072501136 /nfs/dbraw/zinc/50/11/36/1072501136.db2.gz ZTYPFOOCDPLENI-XQNSMLJCSA-N -1 0 579.447 5.488 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409132431 1072504678 /nfs/dbraw/zinc/50/46/78/1072504678.db2.gz XXQRSKVLDCMLMY-OVVQPSECSA-N -1 0 629.507 6.641 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409131221 1072510468 /nfs/dbraw/zinc/51/04/68/1072510468.db2.gz KHVGFIJEENBAEJ-WSDLNYQXSA-N -1 0 688.369 6.259 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC(C)C ZINC000409130910 1072512007 /nfs/dbraw/zinc/51/20/07/1072512007.db2.gz OFNCJBJSPHSAIA-LICLKQGHSA-N -1 0 517.445 5.083 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409130410 1072515448 /nfs/dbraw/zinc/51/54/48/1072515448.db2.gz HJRRYWUKSSMUGL-SRZZPIQSSA-N -1 0 638.331 7.339 40 10 KKCBRM CCCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000409353822 1072518072 /nfs/dbraw/zinc/51/80/72/1072518072.db2.gz SCMPRKOVOAVFMO-HMAPJEAMSA-N -1 0 565.420 5.492 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409128475 1072525583 /nfs/dbraw/zinc/52/55/83/1072525583.db2.gz OYSKKPYYRNDPJT-CIAFOILYSA-N -1 0 674.463 5.477 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409144194 1072535313 /nfs/dbraw/zinc/53/53/13/1072535313.db2.gz DTTSXMOYFGXGSH-WSDLNYQXSA-N -1 0 690.918 5.992 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409143656 1072540009 /nfs/dbraw/zinc/54/00/09/1072540009.db2.gz MWUGWEAPTFREHK-LPYMAVHISA-N -1 0 587.431 6.171 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409143433 1072542286 /nfs/dbraw/zinc/54/22/86/1072542286.db2.gz MCSFZWXUJXLKKR-HZHRSRAPSA-N -1 0 613.892 6.141 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409350391 1072543515 /nfs/dbraw/zinc/54/35/15/1072543515.db2.gz YABXGPLMNQBSFA-JJFYIABZSA-N -1 0 554.715 5.425 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409140891 1072556892 /nfs/dbraw/zinc/55/68/92/1072556892.db2.gz GPYHBBSOQUDAQV-CPNJWEJPSA-N -1 0 508.441 5.305 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S)c1cccs1 ZINC000409348154 1072558279 /nfs/dbraw/zinc/55/82/79/1072558279.db2.gz RUSWCZQQPSKXOR-HAHDFKILSA-N -1 0 502.642 6.027 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409139366 1072564671 /nfs/dbraw/zinc/56/46/71/1072564671.db2.gz NFAQFYKEZPUSQD-LPYMAVHISA-N -1 0 624.444 5.396 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409147138 1072577119 /nfs/dbraw/zinc/57/71/19/1072577119.db2.gz VGKBIRHEKGUJNO-OEAKJJBVSA-N -1 0 500.023 5.791 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409365601 1072578451 /nfs/dbraw/zinc/57/84/51/1072578451.db2.gz UUQPBRKRTIMBQB-IMRQLAEWSA-N -1 0 565.557 5.089 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCCOc2ccccc2Cl)c2ccccc12 ZINC000409146480 1072582404 /nfs/dbraw/zinc/58/24/04/1072582404.db2.gz UIPYKJJWIYKEQM-HAVVHWLPSA-N -1 0 513.981 5.426 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)c2-c2ccccc2)cc1 ZINC000409145125 1072589199 /nfs/dbraw/zinc/58/91/99/1072589199.db2.gz PHIWKTRZKAVLKW-VAMRJTSQSA-N -1 0 625.750 7.436 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409363199 1072590590 /nfs/dbraw/zinc/59/05/90/1072590590.db2.gz KEVIUKKTAQJVIF-PKAZHMFMSA-N -1 0 595.583 5.097 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409362637 1072593491 /nfs/dbraw/zinc/59/34/91/1072593491.db2.gz IVFJVCGFLVQQAQ-ZDLGFXPLSA-N -1 0 616.827 5.243 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409361655 1072599412 /nfs/dbraw/zinc/59/94/12/1072599412.db2.gz CSFMBZCACNASST-OEAKJJBVSA-N -1 0 640.064 5.749 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361296 1072601252 /nfs/dbraw/zinc/60/12/52/1072601252.db2.gz CEAMYZKODYRFCT-KEBDBYFISA-N -1 0 586.403 5.524 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361317 1072601414 /nfs/dbraw/zinc/60/14/14/1072601414.db2.gz CGNNTZQURAFGHH-YSMPRRRNSA-N -1 0 721.479 5.702 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361196 1072602249 /nfs/dbraw/zinc/60/22/49/1072602249.db2.gz ANJQYYWMVJOXNY-DJKKODMXSA-N -1 0 572.376 5.133 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 ZINC000409361265 1072602936 /nfs/dbraw/zinc/60/29/36/1072602936.db2.gz BWDWSCMZILMNCM-LPYMAVHISA-N -1 0 626.435 5.070 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000409154164 1072607752 /nfs/dbraw/zinc/60/77/52/1072607752.db2.gz MXOSGRZHQLHMNZ-UZINWLIJSA-N -1 0 520.423 6.870 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000409375514 1072624257 /nfs/dbraw/zinc/62/42/57/1072624257.db2.gz LWNRIYSUJWYEPG-LPYMAVHISA-N -1 0 583.479 5.960 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409150909 1072626120 /nfs/dbraw/zinc/62/61/20/1072626120.db2.gz DZMBUTDRJXKXDE-DYLHXGEVSA-N -1 0 554.868 7.523 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409376980 1072627266 /nfs/dbraw/zinc/62/72/66/1072627266.db2.gz DDNSZZNMUPVAKV-QRVIBDJDSA-N -1 0 622.472 5.157 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1F ZINC000409376787 1072627316 /nfs/dbraw/zinc/62/73/16/1072627316.db2.gz CWYMAFPTDWJNBQ-YBEGLDIGSA-N -1 0 562.768 5.470 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409376177 1072629998 /nfs/dbraw/zinc/62/99/98/1072629998.db2.gz VNDWSIDYKSCDKU-LPYMAVHISA-N -1 0 657.486 5.571 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409375651 1072632226 /nfs/dbraw/zinc/63/22/26/1072632226.db2.gz NNLDBBUHBKYCPU-WOJGMQOQSA-N -1 0 661.278 5.433 40 10 KKCBRM Cc1ccccc1OCCn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409149626 1072634590 /nfs/dbraw/zinc/63/45/90/1072634590.db2.gz LPAKLIAORORWPX-BUVRLJJBSA-N -1 0 558.432 5.453 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000409374301 1072638161 /nfs/dbraw/zinc/63/81/61/1072638161.db2.gz LXFKEXBTFQYLFE-VXLYETTFSA-N -1 0 698.251 5.129 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409149046 1072638898 /nfs/dbraw/zinc/63/88/98/1072638898.db2.gz WJCFHXCOXDSBMQ-WSDLNYQXSA-N -1 0 735.369 6.101 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409374110 1072640586 /nfs/dbraw/zinc/64/05/86/1072640586.db2.gz JZSKEDYMTCEATG-VXLYETTFSA-N -1 0 606.800 5.177 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409372295 1072645982 /nfs/dbraw/zinc/64/59/82/1072645982.db2.gz JWWKVHOKRFWUPX-CVKSISIWSA-N -1 0 513.525 5.067 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409372245 1072646047 /nfs/dbraw/zinc/64/60/47/1072646047.db2.gz JQYKGVWNDSEKNS-MFKUBSTISA-N -1 0 513.525 5.067 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409371851 1072647790 /nfs/dbraw/zinc/64/77/90/1072647790.db2.gz JBXJALSRQHXDKL-WSDLNYQXSA-N -1 0 561.388 5.445 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409370028 1072655379 /nfs/dbraw/zinc/65/53/79/1072655379.db2.gz JSMBZTMWZTUAQE-SRZZPIQSSA-N -1 0 589.928 7.018 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c1 ZINC000409164924 1072656375 /nfs/dbraw/zinc/65/63/75/1072656375.db2.gz PSDLQRJUATZDLY-GRSHGNNSSA-N -1 0 561.797 5.736 40 10 KKCBRM COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409162045 1072673165 /nfs/dbraw/zinc/67/31/65/1072673165.db2.gz CFFCSOKPLKCUMV-GOHWNWGWSA-N -1 0 589.313 8.177 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(I)cc3)C(=O)[N-]C2=S)cc1 ZINC000409378609 1072675626 /nfs/dbraw/zinc/67/56/26/1072675626.db2.gz QIPFEKRWTFIVSQ-PXLXIMEGSA-N -1 0 568.436 5.264 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)C2=O)cc1OCC ZINC000409378073 1072677337 /nfs/dbraw/zinc/67/73/37/1072677337.db2.gz NDXYKUKWEIQLES-XSFVSMFZSA-N -1 0 640.462 5.460 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C(=O)[N-]C2=S)cc1 ZINC000409377964 1072677840 /nfs/dbraw/zinc/67/78/40/1072677840.db2.gz LCTNGQOYQOCVFI-UDWIEESQSA-N -1 0 526.431 5.389 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1 ZINC000409377703 1072678899 /nfs/dbraw/zinc/67/88/99/1072678899.db2.gz IZQJFJCDPDTYDN-UNOMPAQXSA-N -1 0 598.837 5.103 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409384100 1072681064 /nfs/dbraw/zinc/68/10/64/1072681064.db2.gz ASMLHTVOIASRHY-PXLXIMEGSA-N -1 0 521.436 5.422 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409384093 1072681092 /nfs/dbraw/zinc/68/10/92/1072681092.db2.gz ANOALFJVGZHBLX-FYJGNVAPSA-N -1 0 539.426 5.561 40 10 KKCBRM CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)c1 ZINC000409158888 1072692518 /nfs/dbraw/zinc/69/25/18/1072692518.db2.gz ZJQYZIGCMPTUCC-MTJSOVHGSA-N -1 0 508.577 5.350 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O[C@H](C)CC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409384508 1072697371 /nfs/dbraw/zinc/69/73/71/1072697371.db2.gz CKAANFDASXDUJI-XWAFYUISSA-N -1 0 517.445 5.029 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409384216 1072699432 /nfs/dbraw/zinc/69/94/32/1072699432.db2.gz CGEUZYRQZOJPMV-CIAFOILYSA-N -1 0 552.008 5.230 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409383480 1072701391 /nfs/dbraw/zinc/70/13/91/1072701391.db2.gz YNDJBVFWJFALER-PCLIKHOPSA-N -1 0 571.496 6.575 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409383567 1072701795 /nfs/dbraw/zinc/70/17/95/1072701795.db2.gz ZZSPOHMLJYJHPP-VCHYOVAHSA-N -1 0 630.854 5.633 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000409383206 1072703385 /nfs/dbraw/zinc/70/33/85/1072703385.db2.gz SLCATDZRLDFOCL-PDGQHHTCSA-N -1 0 642.890 5.502 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409383300 1072703761 /nfs/dbraw/zinc/70/37/61/1072703761.db2.gz UAXNRFPJVXYDAR-VXLYETTFSA-N -1 0 575.901 6.628 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409382965 1072704685 /nfs/dbraw/zinc/70/46/85/1072704685.db2.gz SHKPVLKZAKNENP-DEDYPNTBSA-N -1 0 670.488 5.468 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4cccc(C)c4)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409382952 1072704717 /nfs/dbraw/zinc/70/47/17/1072704717.db2.gz PJDLCVZUJLRKAP-OVVQPSECSA-N -1 0 506.627 6.121 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC ZINC000409382745 1072705020 /nfs/dbraw/zinc/70/50/20/1072705020.db2.gz OJXLQHQMXGXNAG-PDGQHHTCSA-N -1 0 598.439 5.393 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409382822 1072705593 /nfs/dbraw/zinc/70/55/93/1072705593.db2.gz RHYCEBUKFVKQGK-NVNXTCNLSA-N -1 0 592.794 5.478 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409382318 1072707093 /nfs/dbraw/zinc/70/70/93/1072707093.db2.gz RSCKFRMRRRXOAW-NVMNQCDNSA-N -1 0 604.830 5.348 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc4ccccc4c3)C(=O)[N-]C2=S)cc1 ZINC000409382325 1072707525 /nfs/dbraw/zinc/70/75/25/1072707525.db2.gz RTOBQQYJQUWVJN-YZSQISJMSA-N -1 0 571.496 6.575 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000409381853 1072708845 /nfs/dbraw/zinc/70/88/45/1072708845.db2.gz KBSCCWNQSRDOKY-DEDYPNTBSA-N -1 0 590.326 6.729 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1F ZINC000409382097 1072709001 /nfs/dbraw/zinc/70/90/01/1072709001.db2.gz XSYDZQIWVXRQCD-LDADJPATSA-N -1 0 617.225 5.035 40 10 KKCBRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(/N=N\c3ccc(C)cc3)cc2)ccc1OC(C)=O ZINC000409381133 1072712680 /nfs/dbraw/zinc/71/26/80/1072712680.db2.gz FPOFKYBREBMYNY-OEHIIWNVSA-N -1 0 727.679 5.753 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409381139 1072713143 /nfs/dbraw/zinc/71/31/43/1072713143.db2.gz CWLRLTDDIGZRNR-BOPFTXTBSA-N -1 0 630.854 5.633 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409380992 1072714069 /nfs/dbraw/zinc/71/40/69/1072714069.db2.gz QORHHTXMKNFDMJ-MYYYXRDXSA-N -1 0 601.522 6.584 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381012 1072714135 /nfs/dbraw/zinc/71/41/35/1072714135.db2.gz CTWOFTQFZVYVSY-MFKUBSTISA-N -1 0 648.522 6.426 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409380721 1072716430 /nfs/dbraw/zinc/71/64/30/1072716430.db2.gz BWSKEVQLWRZODV-WGOQTCKBSA-N -1 0 662.549 6.816 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409379928 1072721408 /nfs/dbraw/zinc/72/14/08/1072721408.db2.gz CJJBXCGNYJGSIB-LICLKQGHSA-N -1 0 588.842 5.090 40 10 KKCBRM COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409379492 1072723067 /nfs/dbraw/zinc/72/30/67/1072723067.db2.gz YGTKHAZJZJZGSJ-WOJGMQOQSA-N -1 0 598.837 5.103 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409391606 1072727467 /nfs/dbraw/zinc/72/74/67/1072727467.db2.gz IYBQKLFJVPJINM-JJIBRWJFSA-N -1 0 565.655 5.348 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)[N-]C1=S ZINC000409172742 1072732554 /nfs/dbraw/zinc/73/25/54/1072732554.db2.gz HTXHKFDORMMVCG-KOEQRZSOSA-N -1 0 555.631 5.652 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccncc4)C3=O)c2-c2ccccc2)cc1 ZINC000409389330 1072732896 /nfs/dbraw/zinc/73/28/96/1072732896.db2.gz ATSVRRGZIDFXOU-ANYBSYGZSA-N -1 0 582.616 6.049 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409389002 1072735125 /nfs/dbraw/zinc/73/51/25/1072735125.db2.gz YRKMOBWFEOPQMP-OEAKJJBVSA-N -1 0 578.090 5.458 40 10 KKCBRM COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409387542 1072744317 /nfs/dbraw/zinc/74/43/17/1072744317.db2.gz RIDVCIGINPLCII-SXGWCWSVSA-N -1 0 649.281 5.457 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Br)cc2Br)c2ccccc12 ZINC000409400215 1072747245 /nfs/dbraw/zinc/74/72/45/1072747245.db2.gz QNSJHRPFVQGFPA-MTJSOVHGSA-N -1 0 551.238 5.676 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409399856 1072747674 /nfs/dbraw/zinc/74/76/74/1072747674.db2.gz NZYLXJOHVKPJKP-ZDLGFXPLSA-N -1 0 562.645 5.905 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409399866 1072748063 /nfs/dbraw/zinc/74/80/63/1072748063.db2.gz OEKFVMVSXWGFHQ-ZDLGFXPLSA-N -1 0 501.739 5.282 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 ZINC000409399605 1072748728 /nfs/dbraw/zinc/74/87/28/1072748728.db2.gz KLBNOSYJBQOWHU-YVLHZVERSA-N -1 0 518.740 5.595 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1 ZINC000409399602 1072748767 /nfs/dbraw/zinc/74/87/67/1072748767.db2.gz KHTOEXCSBUJZRU-UYRXBGFRSA-N -1 0 615.278 5.089 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409399385 1072750079 /nfs/dbraw/zinc/75/00/79/1072750079.db2.gz HQSVOGZHPDPYNV-ATVHPVEESA-N -1 0 588.817 5.119 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(Br)cc1 ZINC000409398436 1072752367 /nfs/dbraw/zinc/75/23/67/1072752367.db2.gz AWWKCBOESSGUFV-WQRHYEAKSA-N -1 0 592.671 5.914 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)c([N+](=O)[O-])c1 ZINC000409401368 1072753829 /nfs/dbraw/zinc/75/38/29/1072753829.db2.gz XJLSAEVLBLNSKF-ZDLGFXPLSA-N -1 0 573.197 5.160 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1C ZINC000409401340 1072754402 /nfs/dbraw/zinc/75/44/02/1072754402.db2.gz XCDAIVACVHEMBB-UYRXBGFRSA-N -1 0 629.305 5.398 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C(=O)[N-]C1=S ZINC000409168265 1072755246 /nfs/dbraw/zinc/75/52/46/1072755246.db2.gz PKXCKNIVZRDSRO-CPNJWEJPSA-N -1 0 524.440 5.005 40 10 KKCBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)[N-]C1=S ZINC000409167405 1072759842 /nfs/dbraw/zinc/75/98/42/1072759842.db2.gz JNZWNAIHKBRXEH-KOEQRZSOSA-N -1 0 584.679 5.993 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1Cl ZINC000409405948 1072760102 /nfs/dbraw/zinc/76/01/02/1072760102.db2.gz IYURHKBMDQTGLZ-XDHOZWIPSA-N -1 0 513.775 5.152 40 10 KKCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)cc3)C2=O)c1 ZINC000409186733 1072761680 /nfs/dbraw/zinc/76/16/80/1072761680.db2.gz HDSCEQKXDUPFOA-WSDLNYQXSA-N -1 0 600.263 5.856 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186784 1072761822 /nfs/dbraw/zinc/76/18/22/1072761822.db2.gz HVFXOXPCYYROBT-WOJGMQOQSA-N -1 0 590.268 5.761 40 10 KKCBRM CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)cc1 ZINC000409186638 1072761882 /nfs/dbraw/zinc/76/18/82/1072761882.db2.gz FVPHZALFKHABIM-KBVAKVRCSA-N -1 0 563.698 6.627 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1Br ZINC000409404462 1072767018 /nfs/dbraw/zinc/76/70/18/1072767018.db2.gz CWLJCVYKEZNDRA-NVMNQCDNSA-N -1 0 637.122 6.023 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185130 1072772713 /nfs/dbraw/zinc/77/27/13/1072772713.db2.gz JNWGPGWOHRFOMC-NFSMCZRPSA-N -1 0 873.507 6.752 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185166 1072773152 /nfs/dbraw/zinc/77/31/52/1072773152.db2.gz JYTYOBPFVNXERN-BSPUBTSWSA-N -1 0 791.664 6.547 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184372 1072777703 /nfs/dbraw/zinc/77/77/03/1072777703.db2.gz WNZXNMNIAVHYRK-AHQQZJEWSA-N -1 0 698.845 7.494 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2Br)c([N+](=O)[O-])c1 ZINC000409400904 1072783231 /nfs/dbraw/zinc/78/32/31/1072783231.db2.gz UZRYWCGLFZZWCG-IUXPMGMMSA-N -1 0 607.642 5.814 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000409400862 1072783312 /nfs/dbraw/zinc/78/33/12/1072783312.db2.gz UQCCOCAJPAOSBX-ITYLOYPMSA-N -1 0 550.684 6.057 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181813 1072795636 /nfs/dbraw/zinc/79/56/36/1072795636.db2.gz FMUNTWKSAKVGKS-XUUPVQRLSA-N -1 0 665.768 5.942 40 10 KKCBRM CCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000409410656 1072801831 /nfs/dbraw/zinc/80/18/31/1072801831.db2.gz ZHPUSAWCCYRRIH-ULJHMMPZSA-N -1 0 500.551 5.120 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409410019 1072808122 /nfs/dbraw/zinc/80/81/22/1072808122.db2.gz YFGHUMZGBUQTBL-WQRHYEAKSA-N -1 0 562.247 6.195 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409409780 1072808174 /nfs/dbraw/zinc/80/81/74/1072808174.db2.gz WZDANEGMEYFKNH-UDWIEESQSA-N -1 0 513.775 5.152 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000409409725 1072809147 /nfs/dbraw/zinc/80/91/47/1072809147.db2.gz QNBQSYBLWJFHCQ-IZOCETQSSA-N -1 0 568.221 5.292 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409408106 1072817852 /nfs/dbraw/zinc/81/78/52/1072817852.db2.gz PFFVBNVTKNFITE-ODLFYWEKSA-N -1 0 513.775 5.152 40 10 KKCBRM CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000409178158 1072819297 /nfs/dbraw/zinc/81/92/97/1072819297.db2.gz FCWLCXXWPKMHIS-CIAFOILYSA-N -1 0 510.955 5.536 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409407602 1072820254 /nfs/dbraw/zinc/82/02/54/1072820254.db2.gz MYPPXALDZNGSEW-NDENLUEZSA-N -1 0 619.253 5.493 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409193247 1072824251 /nfs/dbraw/zinc/82/42/51/1072824251.db2.gz ICPGTDAJMLFPPS-ZVHZXABRSA-N -1 0 637.527 6.195 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1OCC ZINC000409195452 1072836292 /nfs/dbraw/zinc/83/62/92/1072836292.db2.gz URPBAUWUOQUFBB-JLPGSUDCSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409192939 1072852309 /nfs/dbraw/zinc/85/23/09/1072852309.db2.gz HKKXJEUADXVTHZ-OGLMXYFKSA-N -1 0 734.587 7.272 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)o2)c1 ZINC000409193042 1072852617 /nfs/dbraw/zinc/85/26/17/1072852617.db2.gz AOHYRHDQPNFVSQ-ZDLGFXPLSA-N -1 0 520.813 6.467 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192664 1072853787 /nfs/dbraw/zinc/85/37/87/1072853787.db2.gz DRNRFGXLINNHEG-YDZHTSKRSA-N -1 0 657.945 6.540 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409192505 1072854428 /nfs/dbraw/zinc/85/44/28/1072854428.db2.gz YDIRCUYFGAKCQL-HZHRSRAPSA-N -1 0 734.565 5.307 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409192504 1072854597 /nfs/dbraw/zinc/85/45/97/1072854597.db2.gz YCHVEMSPXBOBPA-HZHRSRAPSA-N -1 0 583.468 6.422 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409192555 1072855049 /nfs/dbraw/zinc/85/50/49/1072855049.db2.gz DYPBCYIEQAEZBB-JJIBRWJFSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409192002 1072858898 /nfs/dbraw/zinc/85/88/98/1072858898.db2.gz SDEMNYYPJUULPO-YDZHTSKRSA-N -1 0 704.945 6.382 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)cc1OCC ZINC000409191846 1072859842 /nfs/dbraw/zinc/85/98/42/1072859842.db2.gz ORIRQMHDLQJKDU-JJIBRWJFSA-N -1 0 593.474 5.878 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409191878 1072860306 /nfs/dbraw/zinc/86/03/06/1072860306.db2.gz PKHLRGDCZVCTJV-CIAFOILYSA-N -1 0 706.815 7.294 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191640 1072860675 /nfs/dbraw/zinc/86/06/75/1072860675.db2.gz ZTHARVOECAOHRS-PCLIKHOPSA-N -1 0 576.621 5.653 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409191375 1072863013 /nfs/dbraw/zinc/86/30/13/1072863013.db2.gz GDONAPQDZIEAGI-DEDYPNTBSA-N -1 0 545.032 5.377 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409191393 1072863027 /nfs/dbraw/zinc/86/30/27/1072863027.db2.gz GJFRPOSBUXPZCA-LFVJCYFKSA-N -1 0 593.076 6.167 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409191217 1072863657 /nfs/dbraw/zinc/86/36/57/1072863657.db2.gz DMVYHZMRXUWIAN-XIEYBQDHSA-N -1 0 528.605 5.424 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409189559 1072876821 /nfs/dbraw/zinc/87/68/21/1072876821.db2.gz HVTQKFMKTIEASS-OEAKJJBVSA-N -1 0 617.913 7.075 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409188213 1072883694 /nfs/dbraw/zinc/88/36/94/1072883694.db2.gz XNARBXRTFLFMDG-IPPBACCNSA-N -1 0 690.432 7.925 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409187746 1072885674 /nfs/dbraw/zinc/88/56/74/1072885674.db2.gz BAYNEOPRMKZWAP-FYJGNVAPSA-N -1 0 722.408 5.829 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409187629 1072886270 /nfs/dbraw/zinc/88/62/70/1072886270.db2.gz SQBCNUSCDDQGDV-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1C ZINC000409206895 1072889490 /nfs/dbraw/zinc/88/94/90/1072889490.db2.gz MZSGKHBGJDEGDQ-GXHLCREISA-N -1 0 562.500 5.697 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000409204401 1072905009 /nfs/dbraw/zinc/90/50/09/1072905009.db2.gz GTBIVNOSHGSEPQ-UQQQWYQISA-N -1 0 522.582 6.010 40 10 KKCBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000409198245 1072930899 /nfs/dbraw/zinc/93/08/99/1072930899.db2.gz AOEWXWALOCUMEP-ODLFYWEKSA-N -1 0 500.395 6.122 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)c1 ZINC000409197488 1072935132 /nfs/dbraw/zinc/93/51/32/1072935132.db2.gz GTRCTRXODBGSNR-UFFVCSGVSA-N -1 0 508.621 5.094 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409227183 1072971235 /nfs/dbraw/zinc/97/12/35/1072971235.db2.gz TVIBYQCTCYNBPV-VCHYOVAHSA-N -1 0 603.256 5.748 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226932 1072972473 /nfs/dbraw/zinc/97/24/73/1072972473.db2.gz WNCKEDPBUDUQSW-VCHYOVAHSA-N -1 0 680.282 5.599 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409226701 1072973070 /nfs/dbraw/zinc/97/30/70/1072973070.db2.gz RJMPFICBXBXAAM-VXLYETTFSA-N -1 0 589.229 5.440 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000409226307 1072974975 /nfs/dbraw/zinc/97/49/75/1072974975.db2.gz MUKJIOXIAUSEOG-GZTJUZNOSA-N -1 0 510.415 5.816 40 10 KKCBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409225268 1072979270 /nfs/dbraw/zinc/97/92/70/1072979270.db2.gz MOECXSMGKCUKBC-ODLFYWEKSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409225267 1072979318 /nfs/dbraw/zinc/97/93/18/1072979318.db2.gz NWMHKXSIXWVHMR-GIJQJNRQSA-N -1 0 651.670 5.688 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409225324 1072979741 /nfs/dbraw/zinc/97/97/41/1072979741.db2.gz MVDLTDPDPQUWDW-DEDYPNTBSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409225108 1072980185 /nfs/dbraw/zinc/98/01/85/1072980185.db2.gz OYNPPTCBFJUCLR-RGVLZGJSSA-N -1 0 588.831 5.729 40 10 KKCBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409225031 1072981158 /nfs/dbraw/zinc/98/11/58/1072981158.db2.gz LRJNGKZZOJICEW-WOJGMQOQSA-N -1 0 544.778 5.331 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409223897 1072985461 /nfs/dbraw/zinc/98/54/61/1072985461.db2.gz HIHMSHWPIMMZDA-LPYMAVHISA-N -1 0 652.498 5.247 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223465 1072987259 /nfs/dbraw/zinc/98/72/59/1072987259.db2.gz FQBQMBRBJGBIFP-OEAKJJBVSA-N -1 0 547.995 5.039 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000409221462 1072999058 /nfs/dbraw/zinc/99/90/58/1072999058.db2.gz QQWTWEBDPDHKFN-WSDLNYQXSA-N -1 0 550.518 5.448 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCC ZINC000409221010 1073001326 /nfs/dbraw/zinc/00/13/26/1073001326.db2.gz JFIBIYACVSALRY-OVCLIPMQSA-N -1 0 543.361 5.097 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000409220863 1073002411 /nfs/dbraw/zinc/00/24/11/1073002411.db2.gz HADAADAJWGCAIP-COEJQBHMSA-N -1 0 646.168 7.781 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O ZINC000409220710 1073002736 /nfs/dbraw/zinc/00/27/36/1073002736.db2.gz DTEXAAITWDHMRK-OQLLNIDSSA-N -1 0 552.233 6.475 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409220790 1073003231 /nfs/dbraw/zinc/00/32/31/1073003231.db2.gz FVIKDAJRUIUDGT-NLRVBDNBSA-N -1 0 582.638 6.219 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O ZINC000409220580 1073003988 /nfs/dbraw/zinc/00/39/88/1073003988.db2.gz BTGZKODRKQZOJT-OVVQPSECSA-N -1 0 614.496 6.501 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409219396 1073008020 /nfs/dbraw/zinc/00/80/20/1073008020.db2.gz PYIWEPLZSBVIHG-DJKKODMXSA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409219209 1073008487 /nfs/dbraw/zinc/00/84/87/1073008487.db2.gz OGDZBJJNSIIXKV-CIAFOILYSA-N -1 0 554.386 5.076 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409219066 1073009665 /nfs/dbraw/zinc/00/96/65/1073009665.db2.gz IPDRZMMAUFGAHU-UDWIEESQSA-N -1 0 673.891 5.644 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409218771 1073011356 /nfs/dbraw/zinc/01/13/56/1073011356.db2.gz GWQNNTYXLNSCJQ-FYJGNVAPSA-N -1 0 642.890 5.584 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000409217703 1073015241 /nfs/dbraw/zinc/01/52/41/1073015241.db2.gz FMEANLQDRZORIR-VXLYETTFSA-N -1 0 558.805 5.639 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409217399 1073015639 /nfs/dbraw/zinc/01/56/39/1073015639.db2.gz CJTGHYOTDNMVRN-MTDXEUNCSA-N -1 0 626.065 6.002 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409229340 1073021052 /nfs/dbraw/zinc/02/10/52/1073021052.db2.gz NPCDYEUXUZFIEZ-LJUMEUDFSA-N -1 0 573.668 6.963 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409228460 1073027250 /nfs/dbraw/zinc/02/72/50/1073027250.db2.gz YZALEFAJYIJTEN-CVKSISIWSA-N -1 0 571.431 5.497 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409236590 1073036928 /nfs/dbraw/zinc/03/69/28/1073036928.db2.gz SDXCKSOBEDXJJO-LICLKQGHSA-N -1 0 518.853 6.194 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409236179 1073039953 /nfs/dbraw/zinc/03/99/53/1073039953.db2.gz RTHXTNMDONAKRH-UNOMPAQXSA-N -1 0 559.791 5.327 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409235298 1073044702 /nfs/dbraw/zinc/04/47/02/1073044702.db2.gz BAUWHUFCRNTZCV-SFQUDFHCSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409233859 1073053537 /nfs/dbraw/zinc/05/35/37/1073053537.db2.gz ICUCJZHRURPCJN-WPWMEQJKSA-N -1 0 556.087 6.466 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409232710 1073059548 /nfs/dbraw/zinc/05/95/48/1073059548.db2.gz BMBPXBGZXANDCD-OEAKJJBVSA-N -1 0 548.495 6.951 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409231923 1073063048 /nfs/dbraw/zinc/06/30/48/1073063048.db2.gz GAUCYXHOZFBLKG-NLRVBDNBSA-N -1 0 608.789 6.735 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409230938 1073067554 /nfs/dbraw/zinc/06/75/54/1073067554.db2.gz AEEBMKGMCZJCTF-MHWRWJLKSA-N -1 0 532.822 5.480 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)c1C)CCCC2 ZINC000409247099 1073071830 /nfs/dbraw/zinc/07/18/30/1073071830.db2.gz GGKRCFPCMDBCJY-XMHGGMMESA-N -1 0 568.120 5.696 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409246903 1073073605 /nfs/dbraw/zinc/07/36/05/1073073605.db2.gz KVDKVLVQBXBYGQ-TURZUDJPSA-N -1 0 622.816 7.241 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409246322 1073077617 /nfs/dbraw/zinc/07/76/17/1073077617.db2.gz AZVPOKWDJXONRA-MHWRWJLKSA-N -1 0 502.335 5.301 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409245514 1073082681 /nfs/dbraw/zinc/08/26/81/1073082681.db2.gz UZFJRFYWWAMKJR-CCVNUDIWSA-N -1 0 520.633 5.623 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O ZINC000409243317 1073092917 /nfs/dbraw/zinc/09/29/17/1073092917.db2.gz XLYVGIXSLZUFMF-HKOYGPOVSA-N -1 0 500.599 5.005 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409242797 1073095368 /nfs/dbraw/zinc/09/53/68/1073095368.db2.gz PBRRJXKMBZJYOL-UXHLAJHPSA-N -1 0 628.592 7.390 40 10 KKCBRM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409241963 1073099364 /nfs/dbraw/zinc/09/93/64/1073099364.db2.gz SZHQUTVZKDREQW-BUVRLJJBSA-N -1 0 506.071 6.230 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409240668 1073107777 /nfs/dbraw/zinc/10/77/77/1073107777.db2.gz LSHLJWAFEPLEHU-GIJQJNRQSA-N -1 0 538.378 6.251 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c1C)CCCC2 ZINC000409239993 1073110794 /nfs/dbraw/zinc/11/07/94/1073110794.db2.gz IWZHXSJNBPAYTN-FYJGNVAPSA-N -1 0 582.147 6.004 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409238897 1073117881 /nfs/dbraw/zinc/11/78/81/1073117881.db2.gz OGBSNDJZKDYEFL-JVWAILMASA-N -1 0 556.087 6.466 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409237990 1073123410 /nfs/dbraw/zinc/12/34/10/1073123410.db2.gz KRAGTYPOEBUZDN-FYJGNVAPSA-N -1 0 514.925 5.226 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000409238026 1073123960 /nfs/dbraw/zinc/12/39/60/1073123960.db2.gz YQUNRODXERYKGK-BOPFTXTBSA-N -1 0 501.789 5.502 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409250932 1073131872 /nfs/dbraw/zinc/13/18/72/1073131872.db2.gz OWURYZVXTYRUDH-NDENLUEZSA-N -1 0 524.404 5.967 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)c(C)c1 ZINC000409250950 1073131918 /nfs/dbraw/zinc/13/19/18/1073131918.db2.gz NUPCGHYAJXPOKF-IUXPMGMMSA-N -1 0 696.179 6.819 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409250995 1073132272 /nfs/dbraw/zinc/13/22/72/1073132272.db2.gz NQQFDPSIMFCSPR-NVMNQCDNSA-N -1 0 637.701 6.402 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409250420 1073135980 /nfs/dbraw/zinc/13/59/80/1073135980.db2.gz LJYIRCOVGWMAOX-WQRHYEAKSA-N -1 0 691.716 5.336 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCc1ccccc1 ZINC000409249735 1073139660 /nfs/dbraw/zinc/13/96/60/1073139660.db2.gz LEKKMVRSQXGBIW-UDWIEESQSA-N -1 0 512.509 5.124 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1C ZINC000409249400 1073142606 /nfs/dbraw/zinc/14/26/06/1073142606.db2.gz HVSAOVNFWYUHJG-UUYOSTAYSA-N -1 0 655.343 6.129 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000409249097 1073144864 /nfs/dbraw/zinc/14/48/64/1073144864.db2.gz IKPXYFCUPQJTJD-YBEGLDIGSA-N -1 0 511.308 6.104 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409248778 1073146714 /nfs/dbraw/zinc/14/67/14/1073146714.db2.gz QMBSGMPSAJPBCN-UCQKPKSFSA-N -1 0 583.495 5.962 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000409248556 1073147055 /nfs/dbraw/zinc/14/70/55/1073147055.db2.gz HILRMTVSZQIOGK-XKZIYDEJSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)c(C)c1 ZINC000409248435 1073147883 /nfs/dbraw/zinc/14/78/83/1073147883.db2.gz GMLRHTFDLXUZLE-ODLFYWEKSA-N -1 0 627.289 5.512 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409257080 1073157754 /nfs/dbraw/zinc/15/77/54/1073157754.db2.gz NWYAXNINPPJNEV-NVMNQCDNSA-N -1 0 602.858 5.956 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409257088 1073158254 /nfs/dbraw/zinc/15/82/54/1073158254.db2.gz QDFUYLRFVSCIEG-XDHOZWIPSA-N -1 0 735.813 6.736 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)c(C)c1 ZINC000409256565 1073160952 /nfs/dbraw/zinc/16/09/52/1073160952.db2.gz MBFRLUBQVVASSP-ODLFYWEKSA-N -1 0 554.455 5.459 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409256079 1073163362 /nfs/dbraw/zinc/16/33/62/1073163362.db2.gz JOLRRTKJIYRMIT-UDWIEESQSA-N -1 0 568.811 5.095 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl ZINC000409255892 1073164358 /nfs/dbraw/zinc/16/43/58/1073164358.db2.gz JGZDGNXNQFIPDL-YVLHZVERSA-N -1 0 668.125 6.202 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)c1 ZINC000409255807 1073165876 /nfs/dbraw/zinc/16/58/76/1073165876.db2.gz IWPAKBDQTPCLNE-VXLYETTFSA-N -1 0 542.350 5.125 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409255432 1073167202 /nfs/dbraw/zinc/16/72/02/1073167202.db2.gz KKSDTHZJBZXODG-ODLFYWEKSA-N -1 0 626.891 5.720 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C ZINC000409254881 1073169660 /nfs/dbraw/zinc/16/96/60/1073169660.db2.gz JJDISLCDPBMGNN-WSDLNYQXSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254785 1073170906 /nfs/dbraw/zinc/17/09/06/1073170906.db2.gz ITDZFTSBYBMLGF-KEBDBYFISA-N -1 0 738.760 6.098 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409254632 1073171741 /nfs/dbraw/zinc/17/17/41/1073171741.db2.gz DYYJNNGENSGDTB-UNOMPAQXSA-N -1 0 568.811 5.095 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409253914 1073178056 /nfs/dbraw/zinc/17/80/56/1073178056.db2.gz VYNPRKYWPQEBHG-WSDLNYQXSA-N -1 0 747.970 6.133 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1Cl ZINC000409253568 1073179707 /nfs/dbraw/zinc/17/97/07/1073179707.db2.gz WZSWIDJHKZKTSR-QRQIAZFYSA-N -1 0 596.039 5.911 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1C ZINC000409253576 1073179744 /nfs/dbraw/zinc/17/97/44/1073179744.db2.gz XCRWQXNIWWGXIJ-UKWGHVSLSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000409253457 1073181120 /nfs/dbraw/zinc/18/11/20/1073181120.db2.gz BLGAJIKHSJGYDP-CIAFOILYSA-N -1 0 552.414 5.603 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409253080 1073182525 /nfs/dbraw/zinc/18/25/25/1073182525.db2.gz ANOSCZNUCLQLSM-ODLFYWEKSA-N -1 0 673.891 5.562 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000409253065 1073184239 /nfs/dbraw/zinc/18/42/39/1073184239.db2.gz ANUZWGOHFFPCSS-JAIQZWGSSA-N -1 0 691.716 5.336 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(OCC)c3)C2=O)cc1OCC ZINC000409252709 1073185661 /nfs/dbraw/zinc/18/56/61/1073185661.db2.gz UWIRMKBHTGHKHU-BUVRLJJBSA-N -1 0 650.128 6.227 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409252472 1073187922 /nfs/dbraw/zinc/18/79/22/1073187922.db2.gz BYZMSZQARYDQKR-QQXSKIMKSA-N -1 0 626.065 5.920 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1OC ZINC000409251857 1073191034 /nfs/dbraw/zinc/19/10/34/1073191034.db2.gz AAYPTINLRVCIQR-UUYOSTAYSA-N -1 0 715.395 6.310 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409265251 1073194414 /nfs/dbraw/zinc/19/44/14/1073194414.db2.gz TZFDNHMVGMJDHM-IDUWFGFVSA-N -1 0 716.597 7.164 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409265241 1073194460 /nfs/dbraw/zinc/19/44/60/1073194460.db2.gz TYKXVDHLERSBMY-BKUYFWCQSA-N -1 0 594.487 5.005 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000409267128 1073196655 /nfs/dbraw/zinc/19/66/55/1073196655.db2.gz LZPMCKWENUSCJD-RGVLZGJSSA-N -1 0 645.279 5.651 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409266895 1073198795 /nfs/dbraw/zinc/19/87/95/1073198795.db2.gz LPCRXNXWRNPIQP-JMIUGGIZSA-N -1 0 613.808 5.003 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000409266858 1073198861 /nfs/dbraw/zinc/19/88/61/1073198861.db2.gz RVEXKNPWRPKWLD-ZVHZXABRSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1C ZINC000409266685 1073199700 /nfs/dbraw/zinc/19/97/00/1073199700.db2.gz QTWWPXHZGZEUTI-LSCVHKIXSA-N -1 0 696.179 6.819 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409266410 1073201528 /nfs/dbraw/zinc/20/15/28/1073201528.db2.gz WOVFITPSDGCKCR-KEBDBYFISA-N -1 0 626.891 5.720 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000409266448 1073201961 /nfs/dbraw/zinc/20/19/61/1073201961.db2.gz YUSBXOHNVBDDIE-CIAFOILYSA-N -1 0 612.864 5.494 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266351 1073203133 /nfs/dbraw/zinc/20/31/33/1073203133.db2.gz YEHGXVIDFHWJDJ-UKWGHVSLSA-N -1 0 704.861 5.244 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409266185 1073204037 /nfs/dbraw/zinc/20/40/37/1073204037.db2.gz PCGJPMVGCGJKMP-YDZHTSKRSA-N -1 0 547.995 5.039 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266006 1073204366 /nfs/dbraw/zinc/20/43/66/1073204366.db2.gz VRIGZTYBWIQAAR-GRSHGNNSSA-N -1 0 614.905 5.268 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000409265833 1073205249 /nfs/dbraw/zinc/20/52/49/1073205249.db2.gz WANOWSREJPIEER-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)C1=O ZINC000409265825 1073205350 /nfs/dbraw/zinc/20/53/50/1073205350.db2.gz VXQPZZGDZSJBKF-RQZCQDPDSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)c1 ZINC000409265076 1073208274 /nfs/dbraw/zinc/20/82/74/1073208274.db2.gz SEGKNJPPXCKVQI-DJKKODMXSA-N -1 0 661.734 6.166 40 10 KKCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000035039657 1073208997 /nfs/dbraw/zinc/20/89/97/1073208997.db2.gz JMBHEYJCRRTEIZ-XLNRJJMWSA-N -1 0 506.089 7.397 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409264821 1073210032 /nfs/dbraw/zinc/21/00/32/1073210032.db2.gz GBLAGPLOMDFLKT-JAIQZWGSSA-N -1 0 568.413 5.384 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409264324 1073212324 /nfs/dbraw/zinc/21/23/24/1073212324.db2.gz OVNXURODLCNJLM-JMIUGGIZSA-N -1 0 657.861 5.402 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1 ZINC000409264610 1073212372 /nfs/dbraw/zinc/21/23/72/1073212372.db2.gz LJPYDENXLRVLKB-CIAFOILYSA-N -1 0 671.342 5.911 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409264390 1073212794 /nfs/dbraw/zinc/21/27/94/1073212794.db2.gz LBZGQLXEBZVXMZ-NDENLUEZSA-N -1 0 582.440 5.693 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409264316 1073213544 /nfs/dbraw/zinc/21/35/44/1073213544.db2.gz OVBQEGQKBNGOPF-NVMNQCDNSA-N -1 0 647.309 6.065 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000409263905 1073214799 /nfs/dbraw/zinc/21/47/99/1073214799.db2.gz INIHFVXLURKQBG-NHDPSOOVSA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409263113 1073220005 /nfs/dbraw/zinc/22/00/05/1073220005.db2.gz HCEIZVNSQQRDAM-LPYMAVHISA-N -1 0 671.342 5.911 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409262231 1073223405 /nfs/dbraw/zinc/22/34/05/1073223405.db2.gz GDBYGRWYMBJEOZ-GRSHGNNSSA-N -1 0 708.336 6.297 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000409261599 1073226135 /nfs/dbraw/zinc/22/61/35/1073226135.db2.gz DZMNEEWVEONKAY-FYJGNVAPSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261163 1073228823 /nfs/dbraw/zinc/22/88/23/1073228823.db2.gz BLKOJVUCKYMRME-IDUWFGFVSA-N -1 0 667.727 6.410 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000409261004 1073229535 /nfs/dbraw/zinc/22/95/35/1073229535.db2.gz ZRUSDEWBKLUZKZ-NDENLUEZSA-N -1 0 627.289 5.512 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(C=C3C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c1C ZINC000409261077 1073230367 /nfs/dbraw/zinc/23/03/67/1073230367.db2.gz AXPXYOVRXORNDY-DJKKODMXSA-N -1 0 675.761 6.474 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1 ZINC000409260689 1073231515 /nfs/dbraw/zinc/23/15/15/1073231515.db2.gz USHOTUBTWNOAFX-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1C ZINC000409260801 1073232361 /nfs/dbraw/zinc/23/23/61/1073232361.db2.gz WROOGRWBWWKRFK-OCKHKDLRSA-N -1 0 672.286 5.421 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409260413 1073233798 /nfs/dbraw/zinc/23/37/98/1073233798.db2.gz PYMFDGUHGBXFBM-PXNMLYILSA-N -1 0 682.152 6.511 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409260504 1073234170 /nfs/dbraw/zinc/23/41/70/1073234170.db2.gz RFYNJHVQDIAEJR-KEBDBYFISA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000409260512 1073234203 /nfs/dbraw/zinc/23/42/03/1073234203.db2.gz RJKRWQWKYFHYGR-ODLFYWEKSA-N -1 0 617.283 6.057 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 ZINC000409260168 1073235812 /nfs/dbraw/zinc/23/58/12/1073235812.db2.gz LWZCEBNUSHNQBQ-VEILYXNESA-N -1 0 654.517 6.329 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409259899 1073237427 /nfs/dbraw/zinc/23/74/27/1073237427.db2.gz HHSXFEOSZWUMRD-ODLFYWEKSA-N -1 0 572.832 5.948 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409259584 1073238958 /nfs/dbraw/zinc/23/89/58/1073238958.db2.gz AZSZVBICRRDFTE-JMIUGGIZSA-N -1 0 661.336 6.455 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1C ZINC000409259343 1073241047 /nfs/dbraw/zinc/24/10/47/1073241047.db2.gz YVOWDBGKGUELNT-SRZZPIQSSA-N -1 0 596.865 5.712 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409258821 1073243123 /nfs/dbraw/zinc/24/31/23/1073243123.db2.gz WBLJSUYILVWODI-KEBDBYFISA-N -1 0 626.891 5.720 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409258508 1073244788 /nfs/dbraw/zinc/24/47/88/1073244788.db2.gz XWUJCULKMYEJRG-ODLFYWEKSA-N -1 0 568.413 5.303 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409257806 1073249539 /nfs/dbraw/zinc/24/95/39/1073249539.db2.gz QHJLFWZMOSPJKH-NDENLUEZSA-N -1 0 687.918 5.952 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409257630 1073249995 /nfs/dbraw/zinc/24/99/95/1073249995.db2.gz SXWGFOHYUIEUDL-MFOYZWKCSA-N -1 0 633.282 5.757 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409257388 1073252122 /nfs/dbraw/zinc/25/21/22/1073252122.db2.gz SKLVWUWRUAOEDC-SXGWCWSVSA-N -1 0 579.223 5.984 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc54)C3=O)o2)ccc1Cl ZINC000409272716 1073253298 /nfs/dbraw/zinc/25/32/98/1073253298.db2.gz OGXXEVGOKWSYMP-YDZHTSKRSA-N -1 0 532.961 6.126 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409272027 1073259627 /nfs/dbraw/zinc/25/96/27/1073259627.db2.gz XTIFKHJEXSYPNT-KGENOOAVSA-N -1 0 700.970 6.373 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000409271676 1073261563 /nfs/dbraw/zinc/26/15/63/1073261563.db2.gz VXMFIFRZAFOCRB-SRZZPIQSSA-N -1 0 706.185 6.275 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409271744 1073261893 /nfs/dbraw/zinc/26/18/93/1073261893.db2.gz MNZXUUSQAGDGAD-ZDLGFXPLSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1C ZINC000409269705 1073276107 /nfs/dbraw/zinc/27/61/07/1073276107.db2.gz LWLJJWOFYZWNIU-MTJSOVHGSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409269436 1073276728 /nfs/dbraw/zinc/27/67/28/1073276728.db2.gz JNNJEXYQZHDVIO-MTJSOVHGSA-N -1 0 582.440 5.693 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c(C)c1 ZINC000409269429 1073277905 /nfs/dbraw/zinc/27/79/05/1073277905.db2.gz JHHNBNCAGJLJAS-RGVLZGJSSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c1 ZINC000409269408 1073277928 /nfs/dbraw/zinc/27/79/28/1073277928.db2.gz IXAKULAIETZRRI-DJKKODMXSA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409269045 1073280050 /nfs/dbraw/zinc/28/00/50/1073280050.db2.gz DFXMPXWOARQLQY-HYARGMPZSA-N -1 0 592.446 5.149 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1 ZINC000409267974 1073286214 /nfs/dbraw/zinc/28/62/14/1073286214.db2.gz XKLPAMCQKNFZMD-CIAFOILYSA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409268053 1073286697 /nfs/dbraw/zinc/28/66/97/1073286697.db2.gz XXQHLCGOBBZSOI-JAIQZWGSSA-N -1 0 603.256 5.748 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000409267754 1073288232 /nfs/dbraw/zinc/28/82/32/1073288232.db2.gz OXQQSOQLLYAKRE-FBHDLOMBSA-N -1 0 672.286 5.421 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409267414 1073289511 /nfs/dbraw/zinc/28/95/11/1073289511.db2.gz UOVZINDRLYJDEL-XDHOZWIPSA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409267520 1073289929 /nfs/dbraw/zinc/28/99/29/1073289929.db2.gz NDFVUHXLINZEMN-ODLFYWEKSA-N -1 0 627.289 5.512 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)o1 ZINC000409274050 1073314293 /nfs/dbraw/zinc/31/42/93/1073314293.db2.gz UJWJVLYNPREYEZ-NVMNQCDNSA-N -1 0 516.453 5.046 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409272996 1073321213 /nfs/dbraw/zinc/32/12/13/1073321213.db2.gz URDRLCWBARHQCJ-ZDLGFXPLSA-N -1 0 682.152 6.511 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1 ZINC000409273359 1073334897 /nfs/dbraw/zinc/33/48/97/1073334897.db2.gz XREJYWVEMBRPCK-JAIQZWGSSA-N -1 0 596.423 5.081 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408850530 195488318 /nfs/dbraw/zinc/48/83/18/195488318.db2.gz BLBCGJSSZWLNJG-SFQUDFHCSA-N -1 0 562.272 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408850503 195488377 /nfs/dbraw/zinc/48/83/77/195488377.db2.gz ODWSQDTTWQVORF-WSDLNYQXSA-N -1 0 722.317 6.157 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C2=O)c1 ZINC000408852073 195492314 /nfs/dbraw/zinc/49/23/14/195492314.db2.gz HUXNTTQGBZFSOC-RDRPBHBLSA-N -1 0 614.098 6.790 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4)c(Br)c3)C2=O)cc1C ZINC000408852781 195493917 /nfs/dbraw/zinc/49/39/17/195493917.db2.gz IEGHNTORLAVNOZ-RGVLZGJSSA-N -1 0 539.813 5.965 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000001827103 551710330 /nfs/dbraw/zinc/71/03/30/551710330.db2.gz WRUMIAAYCVVDIK-FYJGNVAPSA-N -1 0 534.797 5.976 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000001834360 551711913 /nfs/dbraw/zinc/71/19/13/551711913.db2.gz ZGRBSAXGOQKPEX-LPYMAVHISA-N -1 0 518.342 6.098 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000002265931 552085430 /nfs/dbraw/zinc/08/54/30/552085430.db2.gz VAFRZIMHPGSRJR-RGVLZGJSSA-N -1 0 512.791 5.485 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000002268988 552085798 /nfs/dbraw/zinc/08/57/98/552085798.db2.gz HULWKWDCGRWYGL-WGOQTCKBSA-N -1 0 550.412 6.272 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004087124 552434350 /nfs/dbraw/zinc/43/43/50/552434350.db2.gz QFTDIZPYNIANIP-MFKUBSTISA-N -1 0 542.573 5.409 40 10 KKCBRM CCCCOc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OC ZINC000008821244 553155833 /nfs/dbraw/zinc/15/58/33/553155833.db2.gz ACZXNMKZPIZKAE-NMWGTECJSA-N -1 0 507.718 6.671 40 10 KKCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCCCCCCCCCC(=O)[O-])C1=O ZINC000008870189 553171447 /nfs/dbraw/zinc/17/14/47/553171447.db2.gz MHKHYTSJFZDQOY-HHVUFVLYSA-N -1 0 516.729 5.936 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000014132738 553501587 /nfs/dbraw/zinc/50/15/87/553501587.db2.gz JWSOOSYSDMDGBL-WOJGMQOQSA-N -1 0 511.361 5.556 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000014133141 553501841 /nfs/dbraw/zinc/50/18/41/553501841.db2.gz ZVEAIXXSFDCMLC-LFVJCYFKSA-N -1 0 507.502 5.302 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1Cl ZINC000016312836 553560007 /nfs/dbraw/zinc/56/00/07/553560007.db2.gz WDSQFMZPTITBQN-BUVRLJJBSA-N -1 0 514.940 6.186 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000016689045 553573473 /nfs/dbraw/zinc/57/34/73/553573473.db2.gz GIISUWLCUJMFIE-MYYYXRDXSA-N -1 0 519.644 6.072 40 10 KKCBRM CC(=Nc1ccccc1Sc1ccccc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000020288285 553633071 /nfs/dbraw/zinc/63/30/71/553633071.db2.gz IDIYVMRNMCUAPJ-OOAXWGSJSA-N -1 0 506.587 6.883 40 10 KKCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000083252538 553676427 /nfs/dbraw/zinc/67/64/27/553676427.db2.gz ZYZQSGLRPVGXLM-CIAFOILYSA-N -1 0 504.340 5.547 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCCOc1ccccc1C ZINC000097957951 553849800 /nfs/dbraw/zinc/84/98/00/553849800.db2.gz OEMKCTLTUIQMCS-PXLXIMEGSA-N -1 0 595.446 6.129 40 10 KKCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 ZINC000097961882 553881351 /nfs/dbraw/zinc/88/13/51/553881351.db2.gz YDILMFNIQZXXPN-HAHDFKILSA-N -1 0 569.441 7.055 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)C2=O)cc1Cl ZINC000097965025 553902499 /nfs/dbraw/zinc/90/24/99/553902499.db2.gz WJIOWHPIUQQIDQ-ODLFYWEKSA-N -1 0 538.818 7.465 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C(C)(C)C)cc3)C2=O)cc1Cl ZINC000033334895 553921601 /nfs/dbraw/zinc/92/16/01/553921601.db2.gz HMVWJXZHEDQVDV-KQWNVCNZSA-N -1 0 506.002 6.333 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000100115261 554222881 /nfs/dbraw/zinc/22/28/81/554222881.db2.gz IXMSZXRRGFEZEO-DHDCSXOGSA-N -1 0 539.271 6.539 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230069 554255848 /nfs/dbraw/zinc/25/58/48/554255848.db2.gz HMJBMRZQTSBSPR-UFFVCSGVSA-N -1 0 618.311 7.017 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100230370 554256183 /nfs/dbraw/zinc/25/61/83/554256183.db2.gz XGVKGNYAZMTPQW-UNOMPAQXSA-N -1 0 555.812 5.747 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100230473 554256398 /nfs/dbraw/zinc/25/63/98/554256398.db2.gz NPYVSFYVVWJAJB-NDENLUEZSA-N -1 0 582.432 5.166 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000100241242 554260238 /nfs/dbraw/zinc/26/02/38/554260238.db2.gz IYEMSJXHHGIFJD-MTJSOVHGSA-N -1 0 596.390 5.010 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1oc(Sc2ccc(Cl)cc2)cc1Br ZINC000100306869 554295198 /nfs/dbraw/zinc/29/51/98/554295198.db2.gz ZXEKQJIMODXQSJ-ZSOIEALJSA-N -1 0 547.770 5.242 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100320235 554304868 /nfs/dbraw/zinc/30/48/68/554304868.db2.gz YGXNOIXQDIPNET-GIJQJNRQSA-N -1 0 611.361 5.350 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100320817 554305239 /nfs/dbraw/zinc/30/52/39/554305239.db2.gz ZEBZUIMGPWPVBU-ODLFYWEKSA-N -1 0 588.785 5.199 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl 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571367374 /nfs/dbraw/zinc/36/73/74/571367374.db2.gz KYYLYHIMHYLEAD-JAIQZWGSSA-N -1 0 543.215 5.286 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000103860174 571367413 /nfs/dbraw/zinc/36/74/13/571367413.db2.gz BJTWCMWJPHWJDL-GDNBJRDFSA-N -1 0 522.207 5.847 40 10 KKCBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)c1C)CCCC2 ZINC000103860297 571367423 /nfs/dbraw/zinc/36/74/23/571367423.db2.gz CEKKLFYSZYMITM-KGENOOAVSA-N -1 0 612.571 5.805 40 10 KKCBRM O=C1C(=NNc2c(O)ccc3ccccc32)C=C(S(=O)(=O)[O-])CC1=NNc1c(O)ccc2ccccc21 ZINC000104221715 571377190 /nfs/dbraw/zinc/37/71/90/571377190.db2.gz KKEBIVWATSSYDF-FLHNTJECSA-N -1 0 516.535 6.585 40 10 KKCBRM COc1ccc(OC)c(NN=C2C=C(OC)C(=NN=C3C(=O)Nc4ccccc4C3=O)C=C2Cc2ccccc2C(=O)[O-])c1 ZINC000104389557 571380012 /nfs/dbraw/zinc/38/00/12/571380012.db2.gz KXSHAHXSXGJWAQ-KSHGJJROSA-N -1 0 593.596 7.792 40 10 KKCBRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000104406307 571380930 /nfs/dbraw/zinc/38/09/30/571380930.db2.gz IHGAPOSLQHUWQT-UHFFFAOYSA-N -1 0 529.039 5.027 40 10 KKCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648280 571382491 /nfs/dbraw/zinc/38/24/91/571382491.db2.gz DZOAZOZTSDAFAJ-YZUZCNPQSA-N -1 0 525.424 5.775 40 10 KKCBRM O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000104648553 571382686 /nfs/dbraw/zinc/38/26/86/571382686.db2.gz WOAZDDMKGBCEIX-XLNZFTOWSA-N -1 0 522.951 7.125 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104650059 571383104 /nfs/dbraw/zinc/38/31/04/571383104.db2.gz PZBDWAWFGCMLFW-ATLLOTDBSA-N -1 0 569.433 5.503 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104882111 571387047 /nfs/dbraw/zinc/38/70/47/571387047.db2.gz LGNAYXCOHHONRN-KGENOOAVSA-N -1 0 570.871 5.931 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499445 571406169 /nfs/dbraw/zinc/40/61/69/571406169.db2.gz JHJSFEFMWQCHPJ-VJBXOYAISA-N -1 0 570.696 5.641 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000105500402 571406355 /nfs/dbraw/zinc/40/63/55/571406355.db2.gz GNDHUKKIZGXGBP-XNIUMVKYSA-N -1 0 604.688 6.081 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000107975675 571421926 /nfs/dbraw/zinc/42/19/26/571421926.db2.gz GWUOALJHKWYLMH-HZHRSRAPSA-N -1 0 500.023 5.737 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000112245662 571435690 /nfs/dbraw/zinc/43/56/90/571435690.db2.gz KVFDCYYCMVIFAI-XDHOZWIPSA-N -1 0 616.839 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000112245142 571435759 /nfs/dbraw/zinc/43/57/59/571435759.db2.gz MBQMSAIWXJEFRU-BUVRLJJBSA-N -1 0 585.454 6.555 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000112245019 571435769 /nfs/dbraw/zinc/43/57/69/571435769.db2.gz BDSLELQDFYJMDY-XIEYBQDHSA-N -1 0 578.694 6.262 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000112245916 571435844 /nfs/dbraw/zinc/43/58/44/571435844.db2.gz UQKOGERRPCROLN-UDWIEESQSA-N -1 0 553.384 5.541 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000112245815 571435891 /nfs/dbraw/zinc/43/58/91/571435891.db2.gz HEDRDDZVBFIHGF-LDADJPATSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000112246094 571435972 /nfs/dbraw/zinc/43/59/72/571435972.db2.gz NTJDQEVEXGVAEZ-RQZCQDPDSA-N -1 0 545.806 6.209 40 10 KKCBRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccc(Cl)cc1Cl ZINC000113511158 571439400 /nfs/dbraw/zinc/43/94/00/571439400.db2.gz CQVBUPCCNXMOPZ-UHFFFAOYSA-N -1 0 577.848 7.070 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000150343253 571458922 /nfs/dbraw/zinc/45/89/22/571458922.db2.gz HNNSZICYALVTKV-QRVIBDJDSA-N -1 0 652.364 6.784 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000150354255 571463002 /nfs/dbraw/zinc/46/30/02/571463002.db2.gz PCMQXAOCPSTUJW-GRSHGNNSSA-N -1 0 623.230 5.852 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150361936 571463884 /nfs/dbraw/zinc/46/38/84/571463884.db2.gz VXBQJNUAYFELLH-CVKSISIWSA-N -1 0 646.481 6.705 40 10 KKCBRM Nc1ccc2c(c1N=Nc1ccc([N+](=O)[O-])cc1)C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc1)C2=O ZINC000150366597 571464774 /nfs/dbraw/zinc/46/47/74/571464774.db2.gz SYLHBLRMFZCHJR-IIUHAYLRSA-N -1 0 688.682 9.901 40 10 KKCBRM CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(OC)cc3)c2)c(C(C)(C)CC)c1 ZINC000150384867 571468484 /nfs/dbraw/zinc/46/84/84/571468484.db2.gz GKFRFXGNFWGAEB-SCJSMODBSA-N -1 0 806.191 10.291 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)cc1 ZINC000150396905 571476809 /nfs/dbraw/zinc/47/68/09/571476809.db2.gz IYFLXWBJMGHXPR-RGVLZGJSSA-N -1 0 773.159 6.302 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150422004 571488046 /nfs/dbraw/zinc/48/80/46/571488046.db2.gz MOHPMDUBVLUAEG-GRSHGNNSSA-N -1 0 637.257 6.242 40 10 KKCBRM CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223536369 571497083 /nfs/dbraw/zinc/49/70/83/571497083.db2.gz RRQYGEABXXQGNU-UOEVCUDDSA-N -1 0 510.432 5.536 40 10 KKCBRM CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223558007 571501415 /nfs/dbraw/zinc/50/14/15/571501415.db2.gz YWQMUHQIGFOZFT-REIAIGDLSA-N -1 0 510.432 5.616 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150481494 571512625 /nfs/dbraw/zinc/51/26/25/571512625.db2.gz OUOQVFIUMAIWPV-VCHYOVAHSA-N -1 0 683.749 6.126 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481453 571512642 /nfs/dbraw/zinc/51/26/42/571512642.db2.gz JLJMEEBFJIMHND-NVMNQCDNSA-N -1 0 623.230 5.852 40 10 KKCBRM CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000224340786 571525998 /nfs/dbraw/zinc/52/59/98/571525998.db2.gz OGVCTDWZBFCJLW-NSOVKSMOSA-N -1 0 510.663 6.235 40 10 KKCBRM C/C=C/c1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000163475458 571536009 /nfs/dbraw/zinc/53/60/09/571536009.db2.gz KIAUJJPJHCPWNF-GUWKMCJVSA-N -1 0 626.301 6.499 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000164309264 571545299 /nfs/dbraw/zinc/54/52/99/571545299.db2.gz NCHRXFNYWUVBJO-FYJGNVAPSA-N -1 0 657.417 5.242 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000164310430 571545410 /nfs/dbraw/zinc/54/54/10/571545410.db2.gz SYWLBQBURRACDK-KKMKTNMSSA-N -1 0 680.426 8.469 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164308440 571545432 /nfs/dbraw/zinc/54/54/32/571545432.db2.gz MVIZJMPDCWPUEZ-IPPBACCNSA-N -1 0 656.135 7.360 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000164316154 571545609 /nfs/dbraw/zinc/54/56/09/571545609.db2.gz ZQDLBASHNFJBHB-DJKKODMXSA-N -1 0 646.821 5.317 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164312658 571545612 /nfs/dbraw/zinc/54/56/12/571545612.db2.gz TTWPJCOZIYQJQP-KKMKTNMSSA-N -1 0 863.328 8.372 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 ZINC000164349008 571546350 /nfs/dbraw/zinc/54/63/50/571546350.db2.gz DVJOUZNFDSCVHL-REZTVBANSA-N -1 0 665.209 5.167 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2I)c1 ZINC000164374177 571546560 /nfs/dbraw/zinc/54/65/60/571546560.db2.gz YRIDDPBWLRWKNT-VXLYETTFSA-N -1 0 635.227 5.747 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000164371775 571546588 /nfs/dbraw/zinc/54/65/88/571546588.db2.gz SPYFPIJHATVBFH-GIJQJNRQSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000164375665 571546656 /nfs/dbraw/zinc/54/66/56/571546656.db2.gz GMKCMFLRKOGRJY-YBFXNURJSA-N -1 0 621.200 5.438 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164376270 571546668 /nfs/dbraw/zinc/54/66/68/571546668.db2.gz POKPJCHVNCWQQA-GIJQJNRQSA-N -1 0 702.645 5.934 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164378290 571546817 /nfs/dbraw/zinc/54/68/17/571546817.db2.gz XORHILRPKBXDMF-WSDLNYQXSA-N -1 0 718.260 6.434 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164379613 571546834 /nfs/dbraw/zinc/54/68/34/571546834.db2.gz KGMUBBFGAPCFKY-VXLYETTFSA-N -1 0 651.226 5.447 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164395270 571546986 /nfs/dbraw/zinc/54/69/86/571546986.db2.gz FVDICUKDGOQDBS-CXUHLZMHSA-N -1 0 682.265 5.511 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000164391406 571546990 /nfs/dbraw/zinc/54/69/90/571546990.db2.gz DQSOYMFXUONMFP-CXUHLZMHSA-N -1 0 716.164 6.366 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164392693 571547057 /nfs/dbraw/zinc/54/70/57/571547057.db2.gz ZUNSXVAMZPZPKO-VGOFMYFVSA-N -1 0 614.707 6.959 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000164393535 571547059 /nfs/dbraw/zinc/54/70/59/571547059.db2.gz GFJBBAVJKHNAPI-OQLLNIDSSA-N -1 0 671.713 6.257 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000164402342 571547212 /nfs/dbraw/zinc/54/72/12/571547212.db2.gz TVUCFFTVEZAVFS-FYJGNVAPSA-N -1 0 638.458 6.002 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164406603 571547489 /nfs/dbraw/zinc/54/74/89/571547489.db2.gz VEBSZDBLHOEGLY-WOJGMQOQSA-N -1 0 647.422 5.148 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000164444906 571547706 /nfs/dbraw/zinc/54/77/06/571547706.db2.gz KVLATNJEMQBNHO-GIJQJNRQSA-N -1 0 669.551 6.873 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164450397 571547824 /nfs/dbraw/zinc/54/78/24/571547824.db2.gz LFTVJDYABUEBEC-GIJQJNRQSA-N -1 0 808.002 6.666 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000164448696 571547856 /nfs/dbraw/zinc/54/78/56/571547856.db2.gz PTYMAVSBCYJTST-WSDLNYQXSA-N -1 0 640.715 7.264 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000164455873 571547909 /nfs/dbraw/zinc/54/79/09/571547909.db2.gz BLTUXIBFSVBFJW-GIJQJNRQSA-N -1 0 808.002 6.666 40 10 KKCBRM Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2I)c1 ZINC000164450670 571547927 /nfs/dbraw/zinc/54/79/27/571547927.db2.gz FIGVWKOIRGYAPL-VXLYETTFSA-N -1 0 696.133 6.370 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000164461123 571548075 /nfs/dbraw/zinc/54/80/75/571548075.db2.gz DGYUIOUTGGDJES-RGVLZGJSSA-N -1 0 647.263 5.616 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164460352 571548081 /nfs/dbraw/zinc/54/80/81/571548081.db2.gz HIYFFNDAIXZVCV-VXLYETTFSA-N -1 0 712.132 6.070 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000164460749 571548090 /nfs/dbraw/zinc/54/80/90/571548090.db2.gz VBKPLSOXZKWBIC-VXLYETTFSA-N -1 0 651.226 5.447 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000164460056 571548208 /nfs/dbraw/zinc/54/82/08/571548208.db2.gz GACSIXBPNAOTOB-YDZHTSKRSA-N -1 0 636.296 6.619 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164465568 571548418 /nfs/dbraw/zinc/54/84/18/571548418.db2.gz DPMAEENTPSJTBA-GIJQJNRQSA-N -1 0 669.153 7.163 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000164462950 571548424 /nfs/dbraw/zinc/54/84/24/571548424.db2.gz BGJLCUKEEKILSI-YDZHTSKRSA-N -1 0 636.296 6.619 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000164470843 571548543 /nfs/dbraw/zinc/54/85/43/571548543.db2.gz VGFCXSWHDFJGDJ-RGVLZGJSSA-N -1 0 645.260 5.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000164468339 571548715 /nfs/dbraw/zinc/54/87/15/571548715.db2.gz UHKSBAKADLADFF-RGVLZGJSSA-N -1 0 773.159 6.302 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224466637 571552587 /nfs/dbraw/zinc/55/25/87/571552587.db2.gz CJILBFHIKNOOCT-LOSJGSFVSA-N -1 0 503.027 6.018 40 10 KKCBRM CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223823430 571556608 /nfs/dbraw/zinc/55/66/08/571556608.db2.gz ZYKXHCCJPKLCTG-WUFINQPMSA-N -1 0 526.662 6.072 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224497810 571560625 /nfs/dbraw/zinc/56/06/25/571560625.db2.gz XQEOULJASHKBTL-DQEYMECFSA-N -1 0 547.478 6.127 40 10 KKCBRM COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000224537278 571569281 /nfs/dbraw/zinc/56/92/81/571569281.db2.gz NAJXXDWKVAYMAJ-SVBPBHIXSA-N -1 0 512.635 5.681 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000206826278 571572824 /nfs/dbraw/zinc/57/28/24/571572824.db2.gz HHFBPFGYSDKUCS-LICLKQGHSA-N -1 0 542.860 5.366 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000206828307 571573064 /nfs/dbraw/zinc/57/30/64/571573064.db2.gz HBICJVOGBYPNBJ-VXLYETTFSA-N -1 0 512.436 5.647 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208315186 571573823 /nfs/dbraw/zinc/57/38/23/571573823.db2.gz JZVQNQGCFVEEBZ-WMRWHDLOSA-N -1 0 526.500 5.701 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208520738 571574673 /nfs/dbraw/zinc/57/46/73/571574673.db2.gz XDRAYHPQADOSAM-CIAFOILYSA-N -1 0 508.416 5.446 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000209559982 571575194 /nfs/dbraw/zinc/57/51/94/571575194.db2.gz UTOXNBDNAUGPRZ-OEAKJJBVSA-N -1 0 571.427 6.165 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223936224 571578826 /nfs/dbraw/zinc/57/88/26/571578826.db2.gz AODSOZGUGUTHTF-WDYNHAJCSA-N -1 0 553.688 5.201 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223936582 571578872 /nfs/dbraw/zinc/57/88/72/571578872.db2.gz LTSQBQGWKXYTOZ-VMPREFPWSA-N -1 0 553.688 5.201 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)ccc1Cl ZINC000214393118 571578908 /nfs/dbraw/zinc/57/89/08/571578908.db2.gz ARRRWAYNSHEVPU-DJKKODMXSA-N -1 0 508.766 6.842 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224672828 571600174 /nfs/dbraw/zinc/60/01/74/571600174.db2.gz ZDAFDMGDTSAGII-ROJLCIKYSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224672629 571600178 /nfs/dbraw/zinc/60/01/78/571600178.db2.gz ZXCQMXZVPWCBHJ-ROJLCIKYSA-N -1 0 574.706 7.465 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224055399 571603115 /nfs/dbraw/zinc/60/31/15/571603115.db2.gz YQMXGSRDQSCPMO-WUFINQPMSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224707220 571607214 /nfs/dbraw/zinc/60/72/14/571607214.db2.gz DVKWRZXHRJYRRL-ROJLCIKYSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224094057 571609025 /nfs/dbraw/zinc/60/90/25/571609025.db2.gz XYSVOYDFJPJKOO-URLMMPGGSA-N -1 0 567.715 6.267 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224775689 571615957 /nfs/dbraw/zinc/61/59/57/571615957.db2.gz SSMMXFUQGGDDOS-IOWSJCHKSA-N -1 0 621.744 7.424 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224775606 571615959 /nfs/dbraw/zinc/61/59/59/571615959.db2.gz SSMMXFUQGGDDOS-FIRIVFDPSA-N -1 0 621.744 7.424 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224775393 571615973 /nfs/dbraw/zinc/61/59/73/571615973.db2.gz IHUDHYVJDSUQCH-FIRIVFDPSA-N -1 0 621.744 7.424 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)c(OC)c1 ZINC000224808766 571619094 /nfs/dbraw/zinc/61/90/94/571619094.db2.gz KYGBIFBZOISWSE-SXOMAYOGSA-N -1 0 528.634 5.382 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c(OC)c1 ZINC000224811853 571619390 /nfs/dbraw/zinc/61/93/90/571619390.db2.gz QBPDXYIYSUGSSK-VSGBNLITSA-N -1 0 542.661 5.690 40 10 KKCBRM COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)c1 ZINC000224841073 571622346 /nfs/dbraw/zinc/62/23/46/571622346.db2.gz JNBFHZXYPKECDD-RRPNLBNLSA-N -1 0 528.634 5.382 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224871461 571625320 /nfs/dbraw/zinc/62/53/20/571625320.db2.gz REZBNFAUJGOTSH-LOSJGSFVSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224901151 571628244 /nfs/dbraw/zinc/62/82/44/571628244.db2.gz GSGFIASQVVAUIQ-UIOOFZCWSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224900864 571628252 /nfs/dbraw/zinc/62/82/52/571628252.db2.gz DAXGAWPFLWTZBY-CLJLJLNGSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224930750 571631153 /nfs/dbraw/zinc/63/11/53/571631153.db2.gz FFNIZNSUJINACQ-FTJBHMTQSA-N -1 0 561.505 6.435 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224988875 571636739 /nfs/dbraw/zinc/63/67/39/571636739.db2.gz GIRUMXXDAHEZPH-FIRIVFDPSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225045879 571641767 /nfs/dbraw/zinc/64/17/67/571641767.db2.gz OEGPNENEKZHWQP-NSOVKSMOSA-N -1 0 525.678 5.662 40 10 KKCBRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000225052732 571642387 /nfs/dbraw/zinc/64/23/87/571642387.db2.gz JWGGYKHWHGICFH-UHFFFAOYSA-N -1 0 533.418 5.129 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225132325 571650325 /nfs/dbraw/zinc/65/03/25/571650325.db2.gz KKHDBDOIBBIXOT-IZLXSDGUSA-N -1 0 588.133 6.612 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225162968 571653532 /nfs/dbraw/zinc/65/35/32/571653532.db2.gz PHNQBUJQXSEPMQ-KYJUHHDHSA-N -1 0 567.715 6.330 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1OC ZINC000225188276 571656012 /nfs/dbraw/zinc/65/60/12/571656012.db2.gz XFMWHQCZNMFBFD-URLMMPGGSA-N -1 0 569.687 5.722 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1OC ZINC000225191219 571656344 /nfs/dbraw/zinc/65/63/44/571656344.db2.gz WGDHILGUSZPFED-IHLOFXLRSA-N -1 0 583.714 6.030 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000225219682 571659221 /nfs/dbraw/zinc/65/92/21/571659221.db2.gz OTWJAQKNMVBPCI-FQLXRVMXSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000225244677 571662033 /nfs/dbraw/zinc/66/20/33/571662033.db2.gz BBQUZCRMNRRYCF-NSOVKSMOSA-N -1 0 590.105 5.603 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225270769 571664988 /nfs/dbraw/zinc/66/49/88/571664988.db2.gz YDAZXDYBQZOHQY-FQLXRVMXSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C ZINC000225273318 571665263 /nfs/dbraw/zinc/66/52/63/571665263.db2.gz IGOKZHAFVVDPBX-KYJUHHDHSA-N -1 0 583.714 5.566 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1NC(C)=O ZINC000225320340 571675250 /nfs/dbraw/zinc/67/52/50/571675250.db2.gz UAENIPZGRSNRHU-IZLXSDGUSA-N -1 0 555.660 5.331 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1NC(C)=O ZINC000225320609 571675833 /nfs/dbraw/zinc/67/58/33/571675833.db2.gz GVHIAWNDSNRQQQ-IZLXSDGUSA-N -1 0 555.660 5.331 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1NC(C)=O ZINC000225320576 571675925 /nfs/dbraw/zinc/67/59/25/571675925.db2.gz GVHIAWNDSNRQQQ-NSOVKSMOSA-N -1 0 555.660 5.331 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225345727 571705722 /nfs/dbraw/zinc/70/57/22/571705722.db2.gz CBPRGNKPXJBFPI-WUFINQPMSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225345887 571705751 /nfs/dbraw/zinc/70/57/51/571705751.db2.gz DINJOGPIUVWJSC-WUFINQPMSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225345922 571705796 /nfs/dbraw/zinc/70/57/96/571705796.db2.gz DINJOGPIUVWJSC-NSOVKSMOSA-N -1 0 526.662 6.152 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225371628 571736801 /nfs/dbraw/zinc/73/68/01/571736801.db2.gz AMCRSLUQZVKZFU-KYJUHHDHSA-N -1 0 552.700 6.686 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225455821 571826992 /nfs/dbraw/zinc/82/69/92/571826992.db2.gz FAQJDWHNVUOMHA-KAYWLYCHSA-N -1 0 575.716 5.044 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000260925665 571865077 /nfs/dbraw/zinc/86/50/77/571865077.db2.gz WMDZCIQKAIDIKB-ZVUFWCIGSA-N -1 0 628.242 7.809 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225508754 571880021 /nfs/dbraw/zinc/88/00/21/571880021.db2.gz ZKEXGIWCIMZPAO-VSGBNLITSA-N -1 0 539.661 5.107 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225508787 571880061 /nfs/dbraw/zinc/88/00/61/571880061.db2.gz ZKEXGIWCIMZPAO-IZLXSDGUSA-N -1 0 539.661 5.107 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225529964 571896854 /nfs/dbraw/zinc/89/68/54/571896854.db2.gz FPQBJYGFVPEWQE-NSOVKSMOSA-N -1 0 539.661 5.189 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225631011 571983319 /nfs/dbraw/zinc/98/33/19/571983319.db2.gz YCUXSUVURHWRAC-IHLOFXLRSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225630982 571983368 /nfs/dbraw/zinc/98/33/68/571983368.db2.gz YCUXSUVURHWRAC-LOYHVIPDSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225631032 571983409 /nfs/dbraw/zinc/98/34/09/571983409.db2.gz YCUXSUVURHWRAC-XZWHSSHBSA-N -1 0 567.715 5.805 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225648795 571997664 /nfs/dbraw/zinc/99/76/64/571997664.db2.gz SNBPKGJXLLUKGJ-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225648769 571997732 /nfs/dbraw/zinc/99/77/32/571997732.db2.gz SNBPKGJXLLUKGJ-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)[O-])c1C ZINC000225667933 572010242 /nfs/dbraw/zinc/01/02/42/572010242.db2.gz GPXVERNOYKQHEI-FQLXRVMXSA-N -1 0 569.687 5.197 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000225668107 572010375 /nfs/dbraw/zinc/01/03/75/572010375.db2.gz AUSPSXIZTYKFLJ-VMPREFPWSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225708201 572038451 /nfs/dbraw/zinc/03/84/51/572038451.db2.gz HCXGVMFPDRFNIJ-JHOUSYSJSA-N -1 0 603.748 6.650 40 10 KKCBRM CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c(C(=O)OCC)c1C ZINC000408526160 572157275 /nfs/dbraw/zinc/15/72/75/572157275.db2.gz AASQRCAZHMIJNW-RCCKNPSSSA-N -1 0 684.609 6.219 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1cc(Cl)ccc1Cl ZINC000408526677 572158118 /nfs/dbraw/zinc/15/81/18/572158118.db2.gz BYVOLDQRYGLGJP-CPNJWEJPSA-N -1 0 589.317 6.803 40 10 KKCBRM COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000408527090 572159357 /nfs/dbraw/zinc/15/93/57/572159357.db2.gz DYYRHLIPPFEXKJ-OFWBYEQRSA-N -1 0 610.780 6.991 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408527474 572160267 /nfs/dbraw/zinc/16/02/67/572160267.db2.gz DOHJQIVLPSQXSV-RUMWWMSVSA-N -1 0 575.753 7.201 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000408527761 572161563 /nfs/dbraw/zinc/16/15/63/572161563.db2.gz AASXNRLBXVHUOM-MFOYZWKCSA-N -1 0 653.110 6.712 40 10 KKCBRM Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000408527912 572162329 /nfs/dbraw/zinc/16/23/29/572162329.db2.gz AIFYGNXVKLYGFA-MOSHPQCFSA-N -1 0 631.220 5.248 40 10 KKCBRM O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408528315 572163949 /nfs/dbraw/zinc/16/39/49/572163949.db2.gz FTBVGWUEMIXMAN-SZXQPVLSSA-N -1 0 736.671 6.404 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccco1 ZINC000408529092 572166643 /nfs/dbraw/zinc/16/66/43/572166643.db2.gz BZWSBCPZYPVHCO-DHDCSXOGSA-N -1 0 639.050 5.453 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000408529702 572169225 /nfs/dbraw/zinc/16/92/25/572169225.db2.gz HQISNBSINBUEBE-DHDCSXOGSA-N -1 0 522.197 5.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(I)cc1 ZINC000408530030 572170633 /nfs/dbraw/zinc/17/06/33/572170633.db2.gz ILPFXYSAYCVREI-HZHRSRAPSA-N -1 0 567.427 5.338 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 ZINC000408530307 572171219 /nfs/dbraw/zinc/17/12/19/572171219.db2.gz DXVKENHZSMZRMJ-UNOMPAQXSA-N -1 0 604.638 5.751 40 10 KKCBRM Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408530373 572171288 /nfs/dbraw/zinc/17/12/88/572171288.db2.gz FEGAOYZAAGHTKR-MOSHPQCFSA-N -1 0 584.220 5.406 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)C=Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000408531263 572174954 /nfs/dbraw/zinc/17/49/54/572174954.db2.gz GORDBEAPSXFOIJ-BZTAXWJHSA-N -1 0 671.254 5.414 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408531634 572176730 /nfs/dbraw/zinc/17/67/30/572176730.db2.gz HEJUAUGJEHJUBC-ZDLGFXPLSA-N -1 0 639.083 6.404 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408532211 572179162 /nfs/dbraw/zinc/17/91/62/572179162.db2.gz MDGNDACBQCZGEF-CPNJWEJPSA-N -1 0 589.317 6.803 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc(Br)cc1 ZINC000408533757 572184532 /nfs/dbraw/zinc/18/45/32/572184532.db2.gz KRRBXFUNPZKYAU-YBEGLDIGSA-N -1 0 667.079 5.999 40 10 KKCBRM COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O ZINC000408535278 572188182 /nfs/dbraw/zinc/18/81/82/572188182.db2.gz YGRWEFMDOJSFIB-QNGOZBTKSA-N -1 0 569.481 5.594 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000408535667 572189037 /nfs/dbraw/zinc/18/90/37/572189037.db2.gz ZLRDRCDTYKPEOR-MWAVMZGNSA-N -1 0 610.736 5.212 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000408536486 572191156 /nfs/dbraw/zinc/19/11/56/572191156.db2.gz RQRZGVOKANEPIY-ODLFYWEKSA-N -1 0 634.664 5.759 40 10 KKCBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000408536472 572191266 /nfs/dbraw/zinc/19/12/66/572191266.db2.gz ROCAPZLPCYXUOF-SXGWCWSVSA-N -1 0 669.109 6.413 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408536639 572191627 /nfs/dbraw/zinc/19/16/27/572191627.db2.gz AFVCIVKPAZGEEH-AFUMVMLFSA-N -1 0 722.386 7.053 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408536657 572191729 /nfs/dbraw/zinc/19/17/29/572191729.db2.gz SJNFEXLALARBGT-AXRQRBSBSA-N -1 0 551.780 5.388 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OCC)c3)C2=O)cc1 ZINC000408537101 572193243 /nfs/dbraw/zinc/19/32/43/572193243.db2.gz CCUFFAUVHQLJQX-OGLMXYFKSA-N -1 0 701.570 7.080 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537171 572193591 /nfs/dbraw/zinc/19/35/91/572193591.db2.gz CKOVOZBWPLWEFO-CFRMEGHHSA-N -1 0 681.956 7.879 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408537399 572194134 /nfs/dbraw/zinc/19/41/34/572194134.db2.gz DNDIKPOYBZXVBR-UNOMPAQXSA-N -1 0 578.301 6.454 40 10 KKCBRM COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537450 572194891 /nfs/dbraw/zinc/19/48/91/572194891.db2.gz FHMSYTUIJDLMPT-ONUIUJJFSA-N -1 0 629.463 5.988 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408537528 572195033 /nfs/dbraw/zinc/19/50/33/572195033.db2.gz VZLRUNRGGWNBAB-GIJQJNRQSA-N -1 0 579.314 5.906 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408537615 572195733 /nfs/dbraw/zinc/19/57/33/572195733.db2.gz GINTVDNNZISPFE-ITYLOYPMSA-N -1 0 569.013 6.173 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408537860 572196276 /nfs/dbraw/zinc/19/62/76/572196276.db2.gz HPWBSFYCSFXMMO-WGARJPEWSA-N -1 0 720.414 7.661 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000408537964 572196402 /nfs/dbraw/zinc/19/64/02/572196402.db2.gz IQFXMBKIWCDGAV-GZTJUZNOSA-N -1 0 540.241 6.381 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538069 572196807 /nfs/dbraw/zinc/19/68/07/572196807.db2.gz ITTUAAKTVKIHTG-MZFJOGFUSA-N -1 0 723.609 8.796 40 10 KKCBRM CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538327 572197488 /nfs/dbraw/zinc/19/74/88/572197488.db2.gz LBCFJNZENSDTPE-TURZUDJPSA-N -1 0 613.066 6.572 40 10 KKCBRM COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538323 572197597 /nfs/dbraw/zinc/19/75/97/572197597.db2.gz KZKWVBNWNCDEFD-NVMPUMLXSA-N -1 0 675.137 7.752 40 10 KKCBRM CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408538319 572197628 /nfs/dbraw/zinc/19/76/28/572197628.db2.gz KZFPRXARDSGRNE-XYGWBWBKSA-N -1 0 696.381 7.979 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OC)c3)C2=O)cc1 ZINC000408538432 572198228 /nfs/dbraw/zinc/19/82/28/572198228.db2.gz MUMYUORTKZIHIE-OGLMXYFKSA-N -1 0 701.570 7.080 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Cl)c3)C2=O)cc1 ZINC000408538470 572198458 /nfs/dbraw/zinc/19/84/58/572198458.db2.gz NIFLTOSXZGHNCO-AFUMVMLFSA-N -1 0 633.484 6.835 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408538517 572198555 /nfs/dbraw/zinc/19/85/55/572198555.db2.gz OCGSYEGEWZEDBO-SNCSUOKWSA-N -1 0 640.692 7.099 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538859 572200001 /nfs/dbraw/zinc/20/00/01/572200001.db2.gz CPEPZOSZRMHXNX-QQXSKIMKSA-N -1 0 673.585 6.846 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539014 572200471 /nfs/dbraw/zinc/20/04/71/572200471.db2.gz DMMKFPOJDGWFML-PKAZHMFMSA-N -1 0 671.544 7.071 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538961 572200490 /nfs/dbraw/zinc/20/04/90/572200490.db2.gz SAGFIJSPHBFIOY-QFEZKATASA-N -1 0 722.386 7.140 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539027 572200506 /nfs/dbraw/zinc/20/05/06/572200506.db2.gz DQANLNMVOCJIBF-WYMPLXKRSA-N -1 0 740.832 8.006 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539169 572201040 /nfs/dbraw/zinc/20/10/40/572201040.db2.gz UMMIOYWYTYGXDB-JVWAILMASA-N -1 0 750.440 7.833 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539135 572201104 /nfs/dbraw/zinc/20/11/04/572201104.db2.gz UBKSJOFUIVMGTG-PKAZHMFMSA-N -1 0 594.620 5.624 40 10 KKCBRM CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408539391 572201903 /nfs/dbraw/zinc/20/19/03/572201903.db2.gz GYSCXDJOWHAGDY-OQKWZONESA-N -1 0 529.033 6.153 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539464 572202541 /nfs/dbraw/zinc/20/25/41/572202541.db2.gz WKIDOJACIWLPDO-UCMJSZAQSA-N -1 0 719.190 8.151 40 10 KKCBRM CCOc1cc(COc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408539503 572202569 /nfs/dbraw/zinc/20/25/69/572202569.db2.gz WRCBSOSOUYXURM-DIBXZPPDSA-N -1 0 564.594 5.615 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539769 572203283 /nfs/dbraw/zinc/20/32/83/572203283.db2.gz YTJZXTRGTDESCL-PKAZHMFMSA-N -1 0 613.066 6.572 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539766 572203352 /nfs/dbraw/zinc/20/33/52/572203352.db2.gz YTDIIBSNDKHDHI-MNBJERMJSA-N -1 0 709.582 8.405 40 10 KKCBRM CCOc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539891 572203676 /nfs/dbraw/zinc/20/36/76/572203676.db2.gz ZUIHYXXCIFREOM-PKAZHMFMSA-N -1 0 623.618 5.827 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408539887 572203789 /nfs/dbraw/zinc/20/37/89/572203789.db2.gz ZTVDDYFTPNUQLJ-ITYLOYPMSA-N -1 0 621.528 7.052 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539864 572203830 /nfs/dbraw/zinc/20/38/30/572203830.db2.gz KFNKJAGHKMCDDJ-PKAZHMFMSA-N -1 0 687.612 7.236 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OC)c4)c(OC)c3)C2=O)cc1 ZINC000408539867 572203845 /nfs/dbraw/zinc/20/38/45/572203845.db2.gz ZQNISFRPASYYSZ-MTDXEUNCSA-N -1 0 608.647 5.927 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540469 572205902 /nfs/dbraw/zinc/20/59/02/572205902.db2.gz SFGDFQNYECVKBB-WYMPLXKRSA-N -1 0 637.903 7.480 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408540510 572206089 /nfs/dbraw/zinc/20/60/89/572206089.db2.gz SQOKHGZMMNHQBT-WYMPLXKRSA-N -1 0 726.805 7.698 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540724 572206615 /nfs/dbraw/zinc/20/66/15/572206615.db2.gz VMFGIJSYWXRMTQ-VULFUBBASA-N -1 0 647.511 7.225 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408540901 572206845 /nfs/dbraw/zinc/20/68/45/572206845.db2.gz WVKZDCCBWUAMLK-DHRITJCHSA-N -1 0 740.832 8.088 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540890 572207044 /nfs/dbraw/zinc/20/70/44/572207044.db2.gz WTWCUTQBJDMOEH-DHRITJCHSA-N -1 0 647.511 7.143 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000408541161 572207703 /nfs/dbraw/zinc/20/77/03/572207703.db2.gz YDALSIHIFRYWAH-MWAVMZGNSA-N -1 0 685.173 7.751 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408541266 572208501 /nfs/dbraw/zinc/20/85/01/572208501.db2.gz YRISJKPPUQJQQT-QQXSKIMKSA-N -1 0 613.066 6.572 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1OC ZINC000408541535 572209045 /nfs/dbraw/zinc/20/90/45/572209045.db2.gz ZTTOQTPWESXNAZ-COEJQBHMSA-N -1 0 680.754 7.106 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542234 572210167 /nfs/dbraw/zinc/21/01/67/572210167.db2.gz KAKLEYHINOUNHD-OVVQPSECSA-N -1 0 583.710 5.348 40 10 KKCBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000408543187 572212238 /nfs/dbraw/zinc/21/22/38/572212238.db2.gz NCAFGYMJENIEQI-CIAFOILYSA-N -1 0 548.382 5.449 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544870 572216821 /nfs/dbraw/zinc/21/68/21/572216821.db2.gz VSUWUSNRMOTKAC-PCLIKHOPSA-N -1 0 574.033 5.220 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408550395 572234185 /nfs/dbraw/zinc/23/41/85/572234185.db2.gz DHNHYIKWHLAWNO-CAOOACKPSA-N -1 0 698.151 6.211 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408551096 572235419 /nfs/dbraw/zinc/23/54/19/572235419.db2.gz BCHJOHOETLWUBI-NVMNQCDNSA-N -1 0 677.291 5.235 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551133 572235692 /nfs/dbraw/zinc/23/56/92/572235692.db2.gz BUSFUHFVORYWAI-IUXPMGMMSA-N -1 0 619.801 5.248 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408551630 572236394 /nfs/dbraw/zinc/23/63/94/572236394.db2.gz DVXGQAAKQKTGIV-KGENOOAVSA-N -1 0 612.466 5.865 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408551682 572236505 /nfs/dbraw/zinc/23/65/05/572236505.db2.gz LYHFOQVFNQZBIS-GIJQJNRQSA-N -1 0 712.178 6.601 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408551753 572236848 /nfs/dbraw/zinc/23/68/48/572236848.db2.gz MIBVWEBLTQJVNI-PXNMLYILSA-N -1 0 595.291 6.149 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551893 572237324 /nfs/dbraw/zinc/23/73/24/572237324.db2.gz NHQFNORIGVFXHB-GRSHGNNSSA-N -1 0 738.318 5.467 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552125 572237763 /nfs/dbraw/zinc/23/77/63/572237763.db2.gz OMWJLQCJSDTUJB-ZDLGFXPLSA-N -1 0 696.350 5.846 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552443 572238323 /nfs/dbraw/zinc/23/83/23/572238323.db2.gz IMROPAPELXYKQM-IUXPMGMMSA-N -1 0 635.254 5.154 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408552583 572238589 /nfs/dbraw/zinc/23/85/89/572238589.db2.gz KAEVLMVVEKMSKC-MFOYZWKCSA-N -1 0 623.674 6.093 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552580 572238708 /nfs/dbraw/zinc/23/87/08/572238708.db2.gz RAVSUNBITGYWAG-PXNMLYILSA-N -1 0 714.727 6.252 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552888 572239579 /nfs/dbraw/zinc/23/95/79/572239579.db2.gz RZZHUYVXGZWEDG-GRSHGNNSSA-N -1 0 646.867 5.516 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000408553028 572239939 /nfs/dbraw/zinc/23/99/39/572239939.db2.gz UPKHRKBGKMMNPV-CIAFOILYSA-N -1 0 782.415 6.868 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553682 572240931 /nfs/dbraw/zinc/24/09/31/572240931.db2.gz PBEWJEVQTHNZAA-ZDLGFXPLSA-N -1 0 634.226 5.348 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000408553625 572240994 /nfs/dbraw/zinc/24/09/94/572240994.db2.gz ORNZKFIFKCKXLG-CAOOACKPSA-N -1 0 637.701 6.402 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553837 572241169 /nfs/dbraw/zinc/24/11/69/572241169.db2.gz PVDJDEOSFUXCMM-IUXPMGMMSA-N -1 0 664.252 5.357 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000408554133 572241401 /nfs/dbraw/zinc/24/14/01/572241401.db2.gz ZRDUSTYHWVPIMS-JAIQZWGSSA-N -1 0 676.937 6.527 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408554620 572242119 /nfs/dbraw/zinc/24/21/19/572242119.db2.gz SHYUCNADIBVZLV-ODLFYWEKSA-N -1 0 647.265 5.226 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408554700 572242171 /nfs/dbraw/zinc/24/21/71/572242171.db2.gz SYDURURWMVVPGD-YVLHZVERSA-N -1 0 605.297 5.605 40 10 KKCBRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000408583350 572265305 /nfs/dbraw/zinc/26/53/05/572265305.db2.gz HSCYVYKDMVQNTQ-UHFFFAOYSA-N -1 0 511.043 5.743 40 10 KKCBRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408586396 572266199 /nfs/dbraw/zinc/26/61/99/572266199.db2.gz OMMJRVLVIDCOKL-UHFFFAOYSA-N -1 0 569.466 6.676 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408601862 572273010 /nfs/dbraw/zinc/27/30/10/572273010.db2.gz LSKFAXPRAPLGFN-JCMHNJIXSA-N -1 0 543.919 5.754 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C(/Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])c2C)c1C ZINC000408633946 572290844 /nfs/dbraw/zinc/29/08/44/572290844.db2.gz OCCFJIICSFODIQ-LPYMAVHISA-N -1 0 523.998 6.110 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634425 572291512 /nfs/dbraw/zinc/29/15/12/572291512.db2.gz RAEGIAJORDPMBH-HMAPJEAMSA-N -1 0 513.450 6.897 40 10 KKCBRM CCn1c(S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408635056 572292105 /nfs/dbraw/zinc/29/21/05/572292105.db2.gz YHZKVPSEXGKIEP-CVKSISIWSA-N -1 0 576.675 5.703 40 10 KKCBRM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1OCc1ccccc1Cl ZINC000096193352 1069689216 /nfs/dbraw/zinc/68/92/16/1069689216.db2.gz VERABNCHVNNJPJ-ODLFYWEKSA-N -1 0 511.361 6.085 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)ccc1Br ZINC000408754732 1069728803 /nfs/dbraw/zinc/72/88/03/1069728803.db2.gz HQQIYCZWXNEYIW-YBFXNURJSA-N -1 0 588.227 5.905 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408768861 1069739337 /nfs/dbraw/zinc/73/93/37/1069739337.db2.gz KMOIGINHYSIOJB-GIJQJNRQSA-N -1 0 591.201 5.910 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000408811866 1069742546 /nfs/dbraw/zinc/74/25/46/1069742546.db2.gz ONGLPYAPGXVDJI-LDADJPATSA-N -1 0 546.204 6.001 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408843299 1069746234 /nfs/dbraw/zinc/74/62/34/1069746234.db2.gz DFALFEWYKFKEGE-OQLLNIDSSA-N -1 0 610.288 6.314 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408894194 1069751265 /nfs/dbraw/zinc/75/12/65/1069751265.db2.gz BNXUAUORIQMMJZ-HAHDFKILSA-N -1 0 525.388 6.028 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408900400 1069752231 /nfs/dbraw/zinc/75/22/31/1069752231.db2.gz SJSWVUCTZBDBGJ-CIAFOILYSA-N -1 0 659.864 5.336 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000408903388 1069752628 /nfs/dbraw/zinc/75/26/28/1069752628.db2.gz SLGSYNSPUVESOO-WPWMEQJKSA-N -1 0 570.443 6.102 40 10 KKCBRM Cc1ccc(Sc2oc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000408912496 1069754259 /nfs/dbraw/zinc/75/42/59/1069754259.db2.gz HIDNHTKLTQPFHK-XNTDXEJSSA-N -1 0 517.401 5.472 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408949752 1069762089 /nfs/dbraw/zinc/76/20/89/1069762089.db2.gz ITUVDIAEELVTCD-VTNSRFBWSA-N -1 0 561.726 7.352 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl ZINC000409365624 1069806785 /nfs/dbraw/zinc/80/67/85/1069806785.db2.gz VDAJSODAUHXBQN-RGVLZGJSSA-N -1 0 542.350 5.125 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409378294 1069807823 /nfs/dbraw/zinc/80/78/23/1069807823.db2.gz OPFJNQQNENXOSZ-DEDYPNTBSA-N -1 0 555.881 6.075 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408771115 1069870856 /nfs/dbraw/zinc/87/08/56/1069870856.db2.gz COSGEVSOTWQRRE-YDZHTSKRSA-N -1 0 610.448 5.861 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408769254 1069875467 /nfs/dbraw/zinc/87/54/67/1069875467.db2.gz PXKSETNXKSIKFD-FYJGNVAPSA-N -1 0 598.462 5.327 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408772888 1069885532 /nfs/dbraw/zinc/88/55/32/1069885532.db2.gz SEQDZIDVTZKJCZ-LPYMAVHISA-N -1 0 504.970 5.601 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408771969 1069883080 /nfs/dbraw/zinc/88/30/80/1069883080.db2.gz KJNKUAXTCZFKIM-YBFXNURJSA-N -1 0 556.756 5.256 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408773428 1069887549 /nfs/dbraw/zinc/88/75/49/1069887549.db2.gz QKWZSWMGXZTDIM-RQZCQDPDSA-N -1 0 625.100 6.764 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408773657 1069887955 /nfs/dbraw/zinc/88/79/55/1069887955.db2.gz SRJFBUWAOOKKJB-WSDLNYQXSA-N -1 0 641.418 5.460 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408776888 1069888751 /nfs/dbraw/zinc/88/87/51/1069888751.db2.gz RRCCFYBKXZLCOY-SRZZPIQSSA-N -1 0 580.391 5.228 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408774971 1069891037 /nfs/dbraw/zinc/89/10/37/1069891037.db2.gz DVJIBYIICUJDGQ-RGVLZGJSSA-N -1 0 630.358 6.247 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCc1ccccc1 ZINC000408777669 1069894363 /nfs/dbraw/zinc/89/43/63/1069894363.db2.gz FOBJXTHKDJECNU-VCHYOVAHSA-N -1 0 662.864 5.606 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)c1 ZINC000408777664 1069894403 /nfs/dbraw/zinc/89/44/03/1069894403.db2.gz FMSRWEMWWNXCNO-KEBDBYFISA-N -1 0 557.803 6.104 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408777121 1069895590 /nfs/dbraw/zinc/89/55/90/1069895590.db2.gz VOSRZSLFKUOHSX-WSDLNYQXSA-N -1 0 636.404 6.676 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408778787 1069898411 /nfs/dbraw/zinc/89/84/11/1069898411.db2.gz KSJHWGZMNWXALI-RGVLZGJSSA-N -1 0 630.358 6.247 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408778931 1069899419 /nfs/dbraw/zinc/89/94/19/1069899419.db2.gz NCSPUVSRUQVCCJ-YBFXNURJSA-N -1 0 544.913 5.921 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(I)c3)C2=O)c1 ZINC000408782055 1069906050 /nfs/dbraw/zinc/90/60/50/1069906050.db2.gz VKSJJAFSKKVLLT-VXLYETTFSA-N -1 0 696.254 5.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000408782219 1069906745 /nfs/dbraw/zinc/90/67/45/1069906745.db2.gz GEBRZJGNRYNAGY-RQZCQDPDSA-N -1 0 564.194 6.140 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408783787 1069910673 /nfs/dbraw/zinc/91/06/73/1069910673.db2.gz MWHNSKKDZVKTRM-IPPBACCNSA-N -1 0 570.158 7.047 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C2=O)cc1 ZINC000408784564 1069911425 /nfs/dbraw/zinc/91/14/25/1069911425.db2.gz UWLKFRAPEBNWIY-RGVLZGJSSA-N -1 0 616.262 5.474 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408785811 1069914701 /nfs/dbraw/zinc/91/47/01/1069914701.db2.gz CCUVXXGKBBYNOO-VXLYETTFSA-N -1 0 559.775 5.496 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408789639 1069918333 /nfs/dbraw/zinc/91/83/33/1069918333.db2.gz NNDKFPQGLZAMQL-GIJQJNRQSA-N -1 0 624.702 7.053 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2Br)cc1 ZINC000408786596 1069921400 /nfs/dbraw/zinc/92/14/00/1069921400.db2.gz LCKNKQCWZBWDSW-FYJGNVAPSA-N -1 0 505.368 5.311 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408786420 1069921517 /nfs/dbraw/zinc/92/15/17/1069921517.db2.gz JTGJPEUUSXRFQL-WSDLNYQXSA-N -1 0 614.411 5.691 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408786961 1069922969 /nfs/dbraw/zinc/92/29/69/1069922969.db2.gz YQVKKSPJYCUPFH-LPYMAVHISA-N -1 0 577.420 6.409 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1 ZINC000408787150 1069923917 /nfs/dbraw/zinc/92/39/17/1069923917.db2.gz SLNIQXRFNYIAHM-BUVRLJJBSA-N -1 0 588.401 5.998 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408790975 1069924397 /nfs/dbraw/zinc/92/43/97/1069924397.db2.gz UXFUHDFBJADQCW-VULFUBBASA-N -1 0 588.535 7.535 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408794734 1069927186 /nfs/dbraw/zinc/92/71/86/1069927186.db2.gz BLXUYBTZLGZOML-XDHOZWIPSA-N -1 0 576.230 6.010 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408796074 1069928660 /nfs/dbraw/zinc/92/86/60/1069928660.db2.gz DGFAZNFCSZFFHT-VXLYETTFSA-N -1 0 557.784 5.062 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408797292 1069932424 /nfs/dbraw/zinc/93/24/24/1069932424.db2.gz CGBGUVJZCCZMBW-YBFXNURJSA-N -1 0 651.284 6.551 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)C1=O ZINC000408798015 1069932984 /nfs/dbraw/zinc/93/29/84/1069932984.db2.gz DKHXWHFSZYFDSE-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1 ZINC000408798450 1069933091 /nfs/dbraw/zinc/93/30/91/1069933091.db2.gz IIUPWIWTCSKUMP-PCLIKHOPSA-N -1 0 507.502 5.302 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3c(C)ccc4ccccc43)C2=O)cc1C ZINC000408800063 1069935333 /nfs/dbraw/zinc/93/53/33/1069935333.db2.gz KAJMSTUNYFOQRG-WGOQTCKBSA-N -1 0 525.004 6.664 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408800903 1069937591 /nfs/dbraw/zinc/93/75/91/1069937591.db2.gz RVWLZTIIGGHVCJ-ZVHZXABRSA-N -1 0 575.448 7.099 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408800949 1069937885 /nfs/dbraw/zinc/93/78/85/1069937885.db2.gz QJWMXXCOONOBGC-YZSQISJMSA-N -1 0 520.541 5.180 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408801459 1069939531 /nfs/dbraw/zinc/93/95/31/1069939531.db2.gz TWGFTWXPOWBRBK-VCHYOVAHSA-N -1 0 536.198 6.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408799830 1069935602 /nfs/dbraw/zinc/93/56/02/1069935602.db2.gz LSBURGMZHVLDHQ-JVWAILMASA-N -1 0 672.488 6.580 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000408800208 1069936253 /nfs/dbraw/zinc/93/62/53/1069936253.db2.gz NSUAWMCXVQLAMJ-BUVRLJJBSA-N -1 0 514.940 6.186 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408802064 1069941202 /nfs/dbraw/zinc/94/12/02/1069941202.db2.gz CNYGDBLCOGPAAB-RGVLZGJSSA-N -1 0 662.320 6.577 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408806348 1069941952 /nfs/dbraw/zinc/94/19/52/1069941952.db2.gz MRVQLUVKYZGJSW-RGVLZGJSSA-N -1 0 508.933 5.350 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408802223 1069944265 /nfs/dbraw/zinc/94/42/65/1069944265.db2.gz XSXFMEYPCHNWNO-FYJGNVAPSA-N -1 0 583.822 5.525 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408802392 1069944399 /nfs/dbraw/zinc/94/43/99/1069944399.db2.gz DSTASSSAIQZLFE-YZSQISJMSA-N -1 0 571.427 6.246 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408803697 1069948268 /nfs/dbraw/zinc/94/82/68/1069948268.db2.gz SGFGKHGPLXPGBU-BUVRLJJBSA-N -1 0 543.373 5.553 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408804100 1069949144 /nfs/dbraw/zinc/94/91/44/1069949144.db2.gz VUANDCNDYOVHDT-PCLIKHOPSA-N -1 0 541.401 6.156 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408804539 1069950820 /nfs/dbraw/zinc/95/08/20/1069950820.db2.gz YFDOBUJFZYEQPV-WOJGMQOQSA-N -1 0 536.198 6.546 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408804504 1069950000 /nfs/dbraw/zinc/95/00/00/1069950000.db2.gz AOEDZGOFKIOOPN-LPYMAVHISA-N -1 0 610.448 5.861 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C1=O ZINC000408804562 1069950900 /nfs/dbraw/zinc/95/09/00/1069950900.db2.gz YJWFALLCDFCMMW-WOJGMQOQSA-N -1 0 560.231 6.310 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408804213 1069950113 /nfs/dbraw/zinc/95/01/13/1069950113.db2.gz DFMUAXAOTQEDSY-CAOOACKPSA-N -1 0 615.094 7.308 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408803650 1069947232 /nfs/dbraw/zinc/94/72/32/1069947232.db2.gz RPNLWTVCZGUKBD-MTDXEUNCSA-N -1 0 566.585 6.049 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408804855 1069951679 /nfs/dbraw/zinc/95/16/79/1069951679.db2.gz ZTCUOIPBSFLYJT-MFKUBSTISA-N -1 0 569.057 7.063 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000408804903 1069951803 /nfs/dbraw/zinc/95/18/03/1069951803.db2.gz ZYUPMQFRRNDKPS-LPYMAVHISA-N -1 0 505.914 5.110 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408805202 1069952843 /nfs/dbraw/zinc/95/28/43/1069952843.db2.gz JNBFNUGBUJMZDH-CAOOACKPSA-N -1 0 536.198 6.546 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)C1=O ZINC000408805423 1069953387 /nfs/dbraw/zinc/95/33/87/1069953387.db2.gz AZBULHMKFPVCCS-RGVLZGJSSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1C ZINC000408805455 1069953514 /nfs/dbraw/zinc/95/35/14/1069953514.db2.gz KDCVCOQGHTVTEF-HYARGMPZSA-N -1 0 519.395 5.620 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408806255 1069955759 /nfs/dbraw/zinc/95/57/59/1069955759.db2.gz IMEDFNKYVWDFCJ-CIAFOILYSA-N -1 0 590.257 6.400 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408805833 1069954449 /nfs/dbraw/zinc/95/44/49/1069954449.db2.gz LTLUVRULMWFYOQ-LICLKQGHSA-N -1 0 576.230 6.010 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408813348 1069957131 /nfs/dbraw/zinc/95/71/31/1069957131.db2.gz QESYLRUXPKZGPD-AFUMVMLFSA-N -1 0 541.003 6.364 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408807871 1069958146 /nfs/dbraw/zinc/95/81/46/1069958146.db2.gz PBJDVZAKHOHOQA-PCLIKHOPSA-N -1 0 557.400 5.856 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408808870 1069960667 /nfs/dbraw/zinc/96/06/67/1069960667.db2.gz GIKCHAZKTAMCJT-DEDYPNTBSA-N -1 0 590.257 6.400 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408811564 1069966006 /nfs/dbraw/zinc/96/60/06/1069966006.db2.gz RGMDKPOGHSZCEM-UDWIEESQSA-N -1 0 541.785 5.357 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408810655 1069963558 /nfs/dbraw/zinc/96/35/58/1069963558.db2.gz PRMHDFIMTINAIK-RGVLZGJSSA-N -1 0 508.933 5.350 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)c1 ZINC000408811508 1069966125 /nfs/dbraw/zinc/96/61/25/1069966125.db2.gz LLCUWZIDCFCLFQ-VCHYOVAHSA-N -1 0 574.258 6.618 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408810921 1069964648 /nfs/dbraw/zinc/96/46/48/1069964648.db2.gz KQNLRJRZEJRXHJ-GZTJUZNOSA-N -1 0 501.753 5.892 40 10 KKCBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408809233 1069961344 /nfs/dbraw/zinc/96/13/44/1069961344.db2.gz RCHPKWBGKCGKIZ-ZXVVBBHZSA-N -1 0 506.558 5.874 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408809698 1069962055 /nfs/dbraw/zinc/96/20/55/1069962055.db2.gz IHNXWIKHRCOAJO-UDWIEESQSA-N -1 0 525.388 5.946 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408812065 1069967513 /nfs/dbraw/zinc/96/75/13/1069967513.db2.gz LBUIBJPMFLFBEN-CIAFOILYSA-N -1 0 573.816 6.069 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408812488 1069968521 /nfs/dbraw/zinc/96/85/21/1069968521.db2.gz WRCBMIAEYSMCBX-WSDLNYQXSA-N -1 0 563.448 5.937 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408812741 1069969188 /nfs/dbraw/zinc/96/91/88/1069969188.db2.gz TUPFKNFDNBUTKG-CIAFOILYSA-N -1 0 632.838 5.597 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408813489 1069969279 /nfs/dbraw/zinc/96/92/79/1069969279.db2.gz NITHQRGOENGEGN-VXLYETTFSA-N -1 0 651.284 6.551 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000408815401 1069970258 /nfs/dbraw/zinc/97/02/58/1069970258.db2.gz WOLPEVWEYVIGKS-GZTJUZNOSA-N -1 0 594.676 6.963 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408815801 1069971093 /nfs/dbraw/zinc/97/10/93/1069971093.db2.gz UOUDOXILLMJQCT-RGVLZGJSSA-N -1 0 616.262 5.474 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408818572 1069976848 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ZINC000408818384 1069976112 /nfs/dbraw/zinc/97/61/12/1069976112.db2.gz VJENWMWWQRUZCJ-YDZHTSKRSA-N -1 0 518.997 5.909 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408819009 1069977810 /nfs/dbraw/zinc/97/78/10/1069977810.db2.gz WGQZDXXZDFMAMM-BUVRLJJBSA-N -1 0 555.030 6.754 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000408813586 1069978380 /nfs/dbraw/zinc/97/83/80/1069978380.db2.gz XZOXYXPJOJQSBH-YBFXNURJSA-N -1 0 527.758 5.054 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408814240 1069980455 /nfs/dbraw/zinc/98/04/55/1069980455.db2.gz ONFRFAFJXSETCR-LPYMAVHISA-N -1 0 627.875 5.923 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408822803 1069984175 /nfs/dbraw/zinc/98/41/75/1069984175.db2.gz MGIVUWKRINUWED-DHRITJCHSA-N -1 0 642.322 8.125 40 10 KKCBRM 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510.977 6.355 40 10 KKCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408825989 1070002373 /nfs/dbraw/zinc/00/23/73/1070002373.db2.gz KHIZKBYAMOUYBK-VKGKETLXSA-N -1 0 633.748 7.783 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408821778 1069999066 /nfs/dbraw/zinc/99/90/66/1069999066.db2.gz KESRWSBESYZMCT-MTDXEUNCSA-N -1 0 583.438 6.274 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408822118 1070000646 /nfs/dbraw/zinc/00/06/46/1070000646.db2.gz KZRSDGFLWSYHIF-JVWAILMASA-N -1 0 680.324 7.175 40 10 KKCBRM Cc1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1C ZINC000408824287 1070001644 /nfs/dbraw/zinc/00/16/44/1070001644.db2.gz HVACVSBJTYXIMJ-OEJGKCQCSA-N -1 0 673.813 8.426 40 10 KKCBRM Cc1ccc(COc2ccc(N3C(=O)[N-]C(=O)C(=Cc4ccc(OCc5ccc(Br)cc5)c(Cl)c4)C3=O)cc2)cc1 ZINC000408826074 1070002101 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Cc1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)c1 ZINC000408828887 1070014853 /nfs/dbraw/zinc/01/48/53/1070014853.db2.gz MKSLMKNIHUSVKU-PYGYCGBUSA-N -1 0 659.786 8.118 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408831130 1070019786 /nfs/dbraw/zinc/01/97/86/1070019786.db2.gz PTZPBAFSGQHMSN-JVWAILMASA-N -1 0 617.485 7.135 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408833120 1070017861 /nfs/dbraw/zinc/01/78/61/1070017861.db2.gz SYSKIVYNNMQPGX-MZJWZYIUSA-N -1 0 710.408 8.287 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408830515 1070018102 /nfs/dbraw/zinc/01/81/02/1070018102.db2.gz PQBIGDCAUAKDPO-GREAQNRRSA-N -1 0 786.698 9.110 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408832977 1070025132 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COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408834075 1070032322 /nfs/dbraw/zinc/03/23/22/1070032322.db2.gz UYZVMKCHTGFOSO-MZJWZYIUSA-N -1 0 621.448 6.966 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408836978 1070028817 /nfs/dbraw/zinc/02/88/17/1070028817.db2.gz XKCDJGHCFCUOBJ-ITWCPLIFSA-N -1 0 758.702 9.515 40 10 KKCBRM CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408837143 1070029487 /nfs/dbraw/zinc/02/94/87/1070029487.db2.gz ZFXBCNBSXYURBJ-ZSOIEALJSA-N -1 0 531.712 5.575 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408833962 1070032361 /nfs/dbraw/zinc/03/23/61/1070032361.db2.gz KRHAGWSHFVTOBT-JFLMPSFJSA-N -1 0 719.488 6.341 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Br)cc1 ZINC000408833591 1070031369 /nfs/dbraw/zinc/03/13/69/1070031369.db2.gz UCJXAJMHUPIQCO-JVWAILMASA-N -1 0 631.910 7.235 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1Br ZINC000408834761 1070034855 /nfs/dbraw/zinc/03/48/55/1070034855.db2.gz LTJUVGUSMPAUMT-LSDBOTONSA-N -1 0 662.584 7.392 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408834702 1070034915 /nfs/dbraw/zinc/03/49/15/1070034915.db2.gz LPIOXRIHCFXTPU-OEJGKCQCSA-N -1 0 703.839 8.517 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408835479 1070037542 /nfs/dbraw/zinc/03/75/42/1070037542.db2.gz XQVWAYMLLLSEDP-ZDLGFXPLSA-N -1 0 569.750 6.911 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408835436 1070037579 /nfs/dbraw/zinc/03/75/79/1070037579.db2.gz WYJATTDWKKYJRF-STBIYBPSSA-N -1 0 583.040 6.481 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408841769 1070045321 /nfs/dbraw/zinc/04/53/21/1070045321.db2.gz LCYFLUCJWDWPIY-OQLLNIDSSA-N -1 0 522.816 6.025 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408844641 1070050171 /nfs/dbraw/zinc/05/01/71/1070050171.db2.gz KQORLUVMUZRUMR-FMIVXFBMSA-N -1 0 556.652 6.501 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408844711 1070051027 /nfs/dbraw/zinc/05/10/27/1070051027.db2.gz CVQVJWRHIVEKEY-CXUHLZMHSA-N -1 0 718.194 6.779 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408853259 1070061006 /nfs/dbraw/zinc/06/10/06/1070061006.db2.gz QLPHRTNJMIRVCN-RIYZIHGNSA-N -1 0 678.162 7.315 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408850501 1070064408 /nfs/dbraw/zinc/06/44/08/1070064408.db2.gz AYNKKSZLFMRIED-WKULSOCRSA-N -1 0 656.533 7.071 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1C ZINC000408850890 1070064875 /nfs/dbraw/zinc/06/48/75/1070064875.db2.gz FQWXTCBMGQGWRQ-ZMOGYAJESA-N -1 0 634.324 7.227 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1C ZINC000408849056 1070062301 /nfs/dbraw/zinc/06/23/01/1070062301.db2.gz UDWBFBYYRLJDSN-KEBDBYFISA-N -1 0 696.254 5.897 40 10 KKCBRM Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)cc1 ZINC000408858597 1070069925 /nfs/dbraw/zinc/06/99/25/1070069925.db2.gz UIFROMJNSPTMNF-DEDYPNTBSA-N -1 0 563.466 5.727 40 10 KKCBRM COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408853763 1070071418 /nfs/dbraw/zinc/07/14/18/1070071418.db2.gz RJXCPMQARSOSDT-FOKLQQMPSA-N -1 0 593.474 5.135 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408856600 1070067047 /nfs/dbraw/zinc/06/70/47/1070067047.db2.gz JGQOYIAXZUWWSF-MKMNVTDBSA-N -1 0 665.607 8.126 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408854338 1070071779 /nfs/dbraw/zinc/07/17/79/1070071779.db2.gz CTIFDVOAVNTBFZ-LICLKQGHSA-N -1 0 552.266 6.711 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408854641 1070072371 /nfs/dbraw/zinc/07/23/71/1070072371.db2.gz JPSVMHWIEOPAKF-OVCLIPMQSA-N -1 0 659.158 7.068 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)C2=O)c1 ZINC000408855085 1070073853 /nfs/dbraw/zinc/07/38/53/1070073853.db2.gz DEYHCWKDRDSYKO-WGOQTCKBSA-N -1 0 706.533 6.886 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1ccccc1Br ZINC000408865783 1070084012 /nfs/dbraw/zinc/08/40/12/1070084012.db2.gz FPOIBQFCNSDJSC-FYJGNVAPSA-N -1 0 519.395 5.332 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408866046 1070085008 /nfs/dbraw/zinc/08/50/08/1070085008.db2.gz FKMMFKVCITYHQC-LPYMAVHISA-N -1 0 537.385 5.553 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408866431 1070085350 /nfs/dbraw/zinc/08/53/50/1070085350.db2.gz GJOUBFGSAYNIDA-KEBDBYFISA-N -1 0 543.834 6.611 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408866672 1070086298 /nfs/dbraw/zinc/08/62/98/1070086298.db2.gz HVUQWWINUUWRQH-CIAFOILYSA-N -1 0 569.839 5.767 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Cc1ccccc1F ZINC000408867553 1070088060 /nfs/dbraw/zinc/08/80/60/1070088060.db2.gz IXIXFGHQZOGRRM-WOJGMQOQSA-N -1 0 604.803 5.740 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2Cc2cccc(F)c2)C1=O ZINC000408869120 1070090689 /nfs/dbraw/zinc/09/06/89/1070090689.db2.gz RNEIFKPACIQWMW-DEDYPNTBSA-N -1 0 527.777 5.807 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408874905 1070091787 /nfs/dbraw/zinc/09/17/87/1070091787.db2.gz FCUPMAUQIZXICO-PXNMLYILSA-N -1 0 594.220 6.149 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3F)c(Br)c2)C1=O ZINC000408870441 1070093973 /nfs/dbraw/zinc/09/39/73/1070093973.db2.gz DQUFQMAWEOMMFR-WOJGMQOQSA-N -1 0 527.777 5.807 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408870040 1070092713 /nfs/dbraw/zinc/09/27/13/1070092713.db2.gz UNQXVCSZADKZMN-KQWNVCNZSA-N -1 0 524.548 5.931 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3Br)C2=O)cc1 ZINC000408875285 1070092763 /nfs/dbraw/zinc/09/27/63/1070092763.db2.gz IQVWOOZXHMYFAX-KGENOOAVSA-N -1 0 553.796 5.146 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1F ZINC000408870295 1070093417 /nfs/dbraw/zinc/09/34/17/1070093417.db2.gz SMNJONQDOINWIS-GIJQJNRQSA-N -1 0 547.797 6.442 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)c1 ZINC000408870920 1070094648 /nfs/dbraw/zinc/09/46/48/1070094648.db2.gz XLIHYFMDPCQXKI-RDRPBHBLSA-N -1 0 595.493 6.902 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Cc1cccc(F)c1 ZINC000408871366 1070095072 /nfs/dbraw/zinc/09/50/72/1070095072.db2.gz YUHXCLGVIDPXTQ-SRZZPIQSSA-N -1 0 618.830 6.048 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408873573 1070099429 /nfs/dbraw/zinc/09/94/29/1070099429.db2.gz SEHMMTQUNFFMKD-DJKKODMXSA-N -1 0 618.709 6.439 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Br ZINC000408879667 1070104146 /nfs/dbraw/zinc/10/41/46/1070104146.db2.gz CIVLDDOVZOCKST-KGENOOAVSA-N -1 0 505.368 5.105 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408874642 1070102458 /nfs/dbraw/zinc/10/24/58/1070102458.db2.gz DLSUJGVCHMHRFC-CIAFOILYSA-N -1 0 509.389 5.822 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000408879810 1070103987 /nfs/dbraw/zinc/10/39/87/1070103987.db2.gz FUIMQWLLTSPLPQ-NDENLUEZSA-N -1 0 616.839 5.761 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408876024 1070108770 /nfs/dbraw/zinc/10/87/70/1070108770.db2.gz IRVIXOKQBPMOOC-KEBDBYFISA-N -1 0 557.803 5.898 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408880208 1070105770 /nfs/dbraw/zinc/10/57/70/1070105770.db2.gz GNXXARJUYZYELT-CAOOACKPSA-N -1 0 641.220 5.991 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408880305 1070106523 /nfs/dbraw/zinc/10/65/23/1070106523.db2.gz HFGQWYZBDGFWIM-GIJQJNRQSA-N -1 0 586.782 5.265 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408875646 1070108056 /nfs/dbraw/zinc/10/80/56/1070108056.db2.gz GQZBLEFOQXKTAT-KEBDBYFISA-N -1 0 529.807 6.303 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)c(Br)c3)C2=O)c1 ZINC000408875647 1070108102 /nfs/dbraw/zinc/10/81/02/1070108102.db2.gz KVUMFOBSSGKWMS-UDWIEESQSA-N -1 0 523.814 5.977 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408876079 1070108674 /nfs/dbraw/zinc/10/86/74/1070108674.db2.gz MPVMUTJGSSJBBM-CIAFOILYSA-N -1 0 661.290 5.718 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408875868 1070108749 /nfs/dbraw/zinc/10/87/49/1070108749.db2.gz LUGVSKKHVQACNA-RGVLZGJSSA-N -1 0 523.358 5.162 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Br)c2)C1=O ZINC000408877354 1070112051 /nfs/dbraw/zinc/11/20/51/1070112051.db2.gz VHDQQTXMNMDJQD-STZFKDTASA-N -1 0 507.359 5.408 40 10 KKCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cc(C)cc(C)c3)C2=O)c1 ZINC000408880708 1070112829 /nfs/dbraw/zinc/11/28/29/1070112829.db2.gz KMZJEFMMUJAOKW-OEAKJJBVSA-N -1 0 533.422 5.928 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408878535 1070115303 /nfs/dbraw/zinc/11/53/03/1070115303.db2.gz BSCQFBICWUURLX-FYJGNVAPSA-N -1 0 569.035 5.098 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408879090 1070115920 /nfs/dbraw/zinc/11/59/20/1070115920.db2.gz FJWKBJJNDKDQKR-WGOQTCKBSA-N -1 0 525.004 6.664 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408878989 1070116023 /nfs/dbraw/zinc/11/60/23/1070116023.db2.gz DOVJCDHBGJBTBR-ZVHZXABRSA-N -1 0 533.024 6.163 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408883339 1070116907 /nfs/dbraw/zinc/11/69/07/1070116907.db2.gz VCGLWVKTDKSYNT-UDWIEESQSA-N -1 0 539.415 6.254 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408884416 1070118595 /nfs/dbraw/zinc/11/85/95/1070118595.db2.gz XTKDNKHBFAMFEN-BKUYFWCQSA-N -1 0 614.411 5.637 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1 ZINC000408880864 1070122482 /nfs/dbraw/zinc/12/24/82/1070122482.db2.gz HTWNTCLPMBLXLM-YBFXNURJSA-N -1 0 530.205 6.013 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Cc2ccccc2Br)c(Cl)c1 ZINC000408881034 1070123448 /nfs/dbraw/zinc/12/34/48/1070123448.db2.gz LIUQKBRMWDBHNW-GZTJUZNOSA-N -1 0 530.205 6.013 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408881620 1070124137 /nfs/dbraw/zinc/12/41/37/1070124137.db2.gz JNYVRQNTWJOLDR-DJKKODMXSA-N -1 0 560.231 6.022 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408883271 1070128629 /nfs/dbraw/zinc/12/86/29/1070128629.db2.gz UQDQOMHNXUNUTA-FYJGNVAPSA-N -1 0 505.368 5.311 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)C1=O ZINC000408888466 1070129163 /nfs/dbraw/zinc/12/91/63/1070129163.db2.gz VSECEOZIPHMKHA-LDADJPATSA-N -1 0 560.231 6.310 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1Br ZINC000408882260 1070126138 /nfs/dbraw/zinc/12/61/38/1070126138.db2.gz QOBSVUYWBDFQTA-FYJGNVAPSA-N -1 0 535.394 5.320 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408882854 1070127631 /nfs/dbraw/zinc/12/76/31/1070127631.db2.gz SKEOBTMWYRCVRR-LZYBPNLTSA-N -1 0 549.769 6.040 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408888658 1070130336 /nfs/dbraw/zinc/13/03/36/1070130336.db2.gz YMNSPZKMRGJZAF-CXUHLZMHSA-N -1 0 564.194 6.140 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408890688 1070133270 /nfs/dbraw/zinc/13/32/70/1070133270.db2.gz XRGPWBNDIJRPLF-YBFXNURJSA-N -1 0 525.388 5.864 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408891367 1070134839 /nfs/dbraw/zinc/13/48/39/1070134839.db2.gz PLLQOQYCYNJUGZ-WSDLNYQXSA-N -1 0 628.317 6.473 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Br)c(Cl)c3)C2=O)cc1 ZINC000408894186 1070141999 /nfs/dbraw/zinc/14/19/99/1070141999.db2.gz BMWSYZPMMGBDEP-JCMHNJIXSA-N -1 0 583.866 6.527 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408895003 1070145313 /nfs/dbraw/zinc/14/53/13/1070145313.db2.gz LLOZQWSEGZXNLZ-NDENLUEZSA-N -1 0 510.974 5.288 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 ZINC000408895029 1070145362 /nfs/dbraw/zinc/14/53/62/1070145362.db2.gz LNPBDLKKNRIERH-YBFXNURJSA-N -1 0 599.821 5.143 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408895373 1070146804 /nfs/dbraw/zinc/14/68/04/1070146804.db2.gz HDHCYPMPBVZVJZ-GRSHGNNSSA-N -1 0 600.809 5.573 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895486 1070146850 /nfs/dbraw/zinc/14/68/50/1070146850.db2.gz KUZQZPIZZOJVJZ-UDWIEESQSA-N -1 0 711.328 5.195 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)ccc1Br ZINC000408896670 1070151003 /nfs/dbraw/zinc/15/10/03/1070151003.db2.gz HCTKCZCMZUYMPP-NDENLUEZSA-N -1 0 543.776 5.795 40 10 KKCBRM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408896714 1070151050 /nfs/dbraw/zinc/15/10/50/1070151050.db2.gz HOHPAIPHXYCKFA-YBFXNURJSA-N -1 0 577.660 5.939 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408895712 1070147556 /nfs/dbraw/zinc/14/75/56/1070147556.db2.gz FHPWZHVTBAFECS-WSDLNYQXSA-N -1 0 592.446 5.067 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408895961 1070148535 /nfs/dbraw/zinc/14/85/35/1070148535.db2.gz GHDIVWVLEPDFBD-VCHYOVAHSA-N -1 0 533.209 5.830 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408892238 1070152928 /nfs/dbraw/zinc/15/29/28/1070152928.db2.gz ABLSAIPGPOYTSG-RGVLZGJSSA-N -1 0 508.933 5.350 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc3ccccc32)C1=O ZINC000408899340 1070156708 /nfs/dbraw/zinc/15/67/08/1070156708.db2.gz OOACORUQMQZBOH-IWIPYMOSSA-N -1 0 620.297 6.919 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 ZINC000408899343 1070156762 /nfs/dbraw/zinc/15/67/62/1070156762.db2.gz OOJWSMALTRNNBM-JLPGSUDCSA-N -1 0 563.448 6.182 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000408899748 1070159938 /nfs/dbraw/zinc/15/99/38/1070159938.db2.gz VPQCQSBEWKTCEG-IWIPYMOSSA-N -1 0 586.398 6.064 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408900407 1070162603 /nfs/dbraw/zinc/16/26/03/1070162603.db2.gz YISUAYHDZRWTRF-NHDPSOOVSA-N -1 0 583.866 6.282 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4Br)c(OCC)c3)C2=O)cc1 ZINC000408900478 1070163471 /nfs/dbraw/zinc/16/34/71/1070163471.db2.gz SWVUQSRZENFJSE-HMAPJEAMSA-N -1 0 705.343 6.487 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408900653 1070164204 /nfs/dbraw/zinc/16/42/04/1070164204.db2.gz ZJHAFHFWLSWNRX-JAIQZWGSSA-N -1 0 648.735 6.818 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408897291 1070170937 /nfs/dbraw/zinc/17/09/37/1070170937.db2.gz MMSRHROAEJJDSU-JAIQZWGSSA-N -1 0 614.290 6.082 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408897411 1070171656 /nfs/dbraw/zinc/17/16/56/1070171656.db2.gz JFOISERHEMGMPP-XKZIYDEJSA-N -1 0 657.417 5.242 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000408901658 1070169198 /nfs/dbraw/zinc/16/91/98/1070169198.db2.gz ZMSKYSPJMGGUSL-QQXSKIMKSA-N -1 0 571.029 6.536 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000408897777 1070172409 /nfs/dbraw/zinc/17/24/09/1070172409.db2.gz OEJUTTPDDCRORQ-ODLFYWEKSA-N -1 0 588.227 5.905 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408897525 1070172427 /nfs/dbraw/zinc/17/24/27/1070172427.db2.gz XNVMOFGTGRSMKE-VCHYOVAHSA-N -1 0 557.784 5.062 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408898929 1070175934 /nfs/dbraw/zinc/17/59/34/1070175934.db2.gz YKNWWQKTELZDBZ-MOSHPQCFSA-N -1 0 675.317 6.260 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408898755 1070175982 /nfs/dbraw/zinc/17/59/82/1070175982.db2.gz MVDRLIBYXNCDNT-YDZHTSKRSA-N -1 0 624.475 6.169 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc3ccccc32)C1=O ZINC000408898335 1070174639 /nfs/dbraw/zinc/17/46/39/1070174639.db2.gz LGNGCIZWFRJXAA-IWIPYMOSSA-N -1 0 575.846 6.810 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000408903310 1070186282 /nfs/dbraw/zinc/18/62/82/1070186282.db2.gz QOBNTYZSBVQHEM-VGSSETLESA-N -1 0 566.246 5.454 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408907980 1070192514 /nfs/dbraw/zinc/19/25/14/1070192514.db2.gz ABJYRHLOEQJIPV-MFKUBSTISA-N -1 0 510.521 5.623 40 10 KKCBRM Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2Br)c1 ZINC000408911815 1070204959 /nfs/dbraw/zinc/20/49/59/1070204959.db2.gz DMRGANJOENSPCS-DJKKODMXSA-N -1 0 543.776 5.795 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Br)cc4)c3)C2=O)c1C ZINC000408934212 1070268401 /nfs/dbraw/zinc/26/84/01/1070268401.db2.gz CYYNEZOLTAWRAR-HMAPJEAMSA-N -1 0 505.368 5.311 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000408934511 1070269650 /nfs/dbraw/zinc/26/96/50/1070269650.db2.gz DWDTZWIXUSAYOC-YVLHZVERSA-N -1 0 548.876 5.752 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408934668 1070270641 /nfs/dbraw/zinc/27/06/41/1070270641.db2.gz FPZFTWPJFZZRMJ-VEILYXNESA-N -1 0 538.987 6.164 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1 ZINC000408936506 1070276867 /nfs/dbraw/zinc/27/68/67/1070276867.db2.gz KQHZAHXEARMWGH-HAHDFKILSA-N -1 0 505.368 5.257 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408936634 1070277303 /nfs/dbraw/zinc/27/73/03/1070277303.db2.gz HBKSALKZJCNLDU-YBFXNURJSA-N -1 0 556.358 5.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408936953 1070278447 /nfs/dbraw/zinc/27/84/47/1070278447.db2.gz LNOXGVRNBBWKTQ-MFKUBSTISA-N -1 0 591.422 6.957 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408945783 1070300729 /nfs/dbraw/zinc/30/07/29/1070300729.db2.gz XHWHMJFMIGVZDU-RGVLZGJSSA-N -1 0 556.358 5.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408943314 1070304575 /nfs/dbraw/zinc/30/45/75/1070304575.db2.gz RPXFZELJQUUHRR-YBFXNURJSA-N -1 0 512.305 5.147 40 10 KKCBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408948241 1070313023 /nfs/dbraw/zinc/31/30/23/1070313023.db2.gz FDDLAKUHNAZFQI-LPYMAVHISA-N -1 0 513.937 5.047 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408948391 1070313139 /nfs/dbraw/zinc/31/31/39/1070313139.db2.gz FYSCCIXKHCPEKM-CCVNUDIWSA-N -1 0 645.583 8.105 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408946520 1070308905 /nfs/dbraw/zinc/30/89/05/1070308905.db2.gz AMCRJUUOQXFCCY-PJQLUOCWSA-N -1 0 624.658 6.383 40 10 KKCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408953190 1070315672 /nfs/dbraw/zinc/31/56/72/1070315672.db2.gz PAEUWEIRJZUIKT-FSJBWODESA-N -1 0 549.465 5.982 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408966761 1070332012 /nfs/dbraw/zinc/33/20/12/1070332012.db2.gz NYYSPKFKYRKNII-AFUMVMLFSA-N -1 0 638.946 7.059 40 10 KKCBRM Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000408971140 1070335306 /nfs/dbraw/zinc/33/53/06/1070335306.db2.gz MWRDSAFZBXUFDR-HAHDFKILSA-N -1 0 536.587 5.465 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(I)c3)C2=O)cc1 ZINC000408982434 1070340198 /nfs/dbraw/zinc/34/01/98/1070340198.db2.gz GZLNSIATJXLWRG-XYGWBWBKSA-N -1 0 602.428 6.252 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408982651 1070341055 /nfs/dbraw/zinc/34/10/55/1070341055.db2.gz DRWUQFPRTVFEJX-ODLFYWEKSA-N -1 0 602.254 6.159 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408983987 1070345017 /nfs/dbraw/zinc/34/50/17/1070345017.db2.gz PCGGOOMVXJQNSX-OCKHKDLRSA-N -1 0 590.257 6.318 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408985291 1070345983 /nfs/dbraw/zinc/34/59/83/1070345983.db2.gz WIOVLFFCHRKPOE-NHDPSOOVSA-N -1 0 593.430 5.384 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1 ZINC000408987424 1070350062 /nfs/dbraw/zinc/35/00/62/1070350062.db2.gz AZZSWQTYRQYNFM-RCRQRPLWSA-N -1 0 697.820 6.483 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1Cl ZINC000408987390 1070350118 /nfs/dbraw/zinc/35/01/18/1070350118.db2.gz OLSYWBNLUMKKCI-GRSHGNNSSA-N -1 0 570.783 5.565 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408984536 1070352644 /nfs/dbraw/zinc/35/26/44/1070352644.db2.gz RUEUKZKTLWXRKU-NVMNQCDNSA-N -1 0 502.785 6.029 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408984614 1070352697 /nfs/dbraw/zinc/35/26/97/1070352697.db2.gz SFCYSARHMZAOHK-JMIUGGIZSA-N -1 0 661.836 5.805 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccc(C)c(Cl)c5)C4=O)o3)sc2c1 ZINC000408991462 1070358497 /nfs/dbraw/zinc/35/84/97/1070358497.db2.gz OGUHKOPKEMPULE-GZTJUZNOSA-N -1 0 556.090 6.232 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408995699 1070363985 /nfs/dbraw/zinc/36/39/85/1070363985.db2.gz KRSZJSJDSBIARX-MHWRWJLKSA-N -1 0 655.126 6.772 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1 ZINC000408992979 1070367604 /nfs/dbraw/zinc/36/76/04/1070367604.db2.gz UHVBFHIRIOQBQE-UZBYXMDDSA-N -1 0 683.793 6.175 40 10 KKCBRM O=C(N[C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409003549 1070385116 /nfs/dbraw/zinc/38/51/16/1070385116.db2.gz SPIOEHRHYOKXRB-XETRRMDNSA-N -1 0 746.343 7.493 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409006179 1070381791 /nfs/dbraw/zinc/38/17/91/1070381791.db2.gz YLQOFLULZDZTLV-NDENLUEZSA-N -1 0 671.342 5.911 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409033275 1070422446 /nfs/dbraw/zinc/42/24/46/1070422446.db2.gz KOQZRRCSMCYPPO-LICLKQGHSA-N -1 0 546.448 5.864 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1 ZINC000409040685 1070428221 /nfs/dbraw/zinc/42/82/21/1070428221.db2.gz HOJLHKOVQXOBOD-RGVLZGJSSA-N -1 0 559.427 5.353 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409041510 1070445264 /nfs/dbraw/zinc/44/52/64/1070445264.db2.gz JVYUHEGHOOAZIE-FSJBWODESA-N -1 0 651.267 6.518 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C1=O ZINC000409046665 1070452169 /nfs/dbraw/zinc/45/21/69/1070452169.db2.gz LEMBFBALNJJKKA-DJKKODMXSA-N -1 0 550.225 6.854 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000409045489 1070453769 /nfs/dbraw/zinc/45/37/69/1070453769.db2.gz YTLJHCWAKQPVQV-VXLYETTFSA-N -1 0 648.691 5.897 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409045293 1070453807 /nfs/dbraw/zinc/45/38/07/1070453807.db2.gz GAXHMOPYAJVBAC-OMCISZLKSA-N -1 0 605.088 7.852 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409047574 1070459245 /nfs/dbraw/zinc/45/92/45/1070459245.db2.gz OMJMQFFUQWHFBD-CAOOACKPSA-N -1 0 619.197 5.504 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409050067 1070464460 /nfs/dbraw/zinc/46/44/60/1070464460.db2.gz ZVLVGYXYNHHYDS-YBFXNURJSA-N -1 0 574.200 5.596 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409060211 1070472783 /nfs/dbraw/zinc/47/27/83/1070472783.db2.gz YKUCZUNQGPFLTC-YBFXNURJSA-N -1 0 635.106 6.220 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)c1 ZINC000409058171 1070470747 /nfs/dbraw/zinc/47/07/47/1070470747.db2.gz RXEQUOFXUDAKEQ-RGVLZGJSSA-N -1 0 582.838 5.403 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064777 1070481078 /nfs/dbraw/zinc/48/10/78/1070481078.db2.gz GCJBKEMWIGAALL-GIJQJNRQSA-N -1 0 581.817 5.090 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C1=O ZINC000409076027 1070489940 /nfs/dbraw/zinc/48/99/40/1070489940.db2.gz WRZKHMLCELNTNU-MHWRWJLKSA-N -1 0 654.720 5.608 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077491 1070493069 /nfs/dbraw/zinc/49/30/69/1070493069.db2.gz FAFCZDYMMNUFNP-CXUHLZMHSA-N -1 0 606.307 5.843 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000409081866 1070505397 /nfs/dbraw/zinc/50/53/97/1070505397.db2.gz QPFPZLKHJWESHW-VGOFMYFVSA-N -1 0 591.747 6.230 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082171 1070506089 /nfs/dbraw/zinc/50/60/89/1070506089.db2.gz PMBIJTKKTLQQOO-WOJGMQOQSA-N -1 0 586.435 5.379 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C ZINC000409083133 1070508470 /nfs/dbraw/zinc/50/84/70/1070508470.db2.gz UTQVOLATIPEMQX-GIJQJNRQSA-N -1 0 594.329 6.996 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C ZINC000409077882 1070513074 /nfs/dbraw/zinc/51/30/74/1070513074.db2.gz AYWSJFNGDAXHTF-YBFXNURJSA-N -1 0 559.884 6.343 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079798 1070516185 /nfs/dbraw/zinc/51/61/85/1070516185.db2.gz LZCCWLCRCOGQGK-RQZCQDPDSA-N -1 0 683.333 5.781 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 ZINC000409086571 1070519676 /nfs/dbraw/zinc/51/96/76/1070519676.db2.gz WANLUBXYTFASRN-YBFXNURJSA-N -1 0 688.387 5.364 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409098408 1070531520 /nfs/dbraw/zinc/53/15/20/1070531520.db2.gz OQYJSRPFRQXLMY-USHMODERSA-N -1 0 664.581 7.422 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409124822 1070552672 /nfs/dbraw/zinc/55/26/72/1070552672.db2.gz CSHQAZNHJYMAEF-YBFXNURJSA-N -1 0 542.886 5.958 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409126885 1070554318 /nfs/dbraw/zinc/55/43/18/1070554318.db2.gz POLFTNQQICRHOA-WPWMEQJKSA-N -1 0 553.659 6.260 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409133664 1070558479 /nfs/dbraw/zinc/55/84/79/1070558479.db2.gz MXJYWVVQSRBFLQ-LFVJCYFKSA-N -1 0 544.604 5.124 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC(C)C ZINC000409147829 1070566166 /nfs/dbraw/zinc/56/61/66/1070566166.db2.gz WBRRFTSDWCAIIL-LICLKQGHSA-N -1 0 517.445 5.083 40 10 KKCBRM COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)ccc1Cl ZINC000409153936 1070578281 /nfs/dbraw/zinc/57/82/81/1070578281.db2.gz OBSLXJHZLXQAMY-NHDPSOOVSA-N -1 0 554.964 5.068 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409188087 1070596734 /nfs/dbraw/zinc/59/67/34/1070596734.db2.gz WXQHNWWAFYFMOL-WOJGMQOQSA-N -1 0 574.200 5.596 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)[N-]C2=S)c1 ZINC000409185245 1070604986 /nfs/dbraw/zinc/60/49/86/1070604986.db2.gz UUBFHELURCOFTJ-WSDLNYQXSA-N -1 0 600.332 6.239 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1OCC ZINC000409191682 1070609128 /nfs/dbraw/zinc/60/91/28/1070609128.db2.gz KQGMIEIRQLJQNO-XYGWBWBKSA-N -1 0 532.568 5.254 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409192643 1070610707 /nfs/dbraw/zinc/61/07/07/1070610707.db2.gz DEIAHSIJUJSIQB-BUVRLJJBSA-N -1 0 684.527 6.118 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409220175 1070642353 /nfs/dbraw/zinc/64/23/53/1070642353.db2.gz VFYXVLBCTKRXEC-QGMBQPNBSA-N -1 0 589.775 5.239 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226818 1070644713 /nfs/dbraw/zinc/64/47/13/1070644713.db2.gz XEPBYPSBBHEBPS-DEDYPNTBSA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409227161 1070644804 /nfs/dbraw/zinc/64/48/04/1070644804.db2.gz SSLASJOKCFKYSM-CIAFOILYSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000409240860 1070656286 /nfs/dbraw/zinc/65/62/86/1070656286.db2.gz QGSUQSLAOHOSLX-CIAFOILYSA-N -1 0 520.441 6.136 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409250805 1070667776 /nfs/dbraw/zinc/66/77/76/1070667776.db2.gz MXVXAAIUKQZDFY-SSDVNMTOSA-N -1 0 687.918 5.952 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)[N-]C2=S)cc1 ZINC000409241496 1070669237 /nfs/dbraw/zinc/66/92/37/1070669237.db2.gz NYWVGOMEMMANOP-KGENOOAVSA-N -1 0 541.414 5.037 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409253723 1070686840 /nfs/dbraw/zinc/68/68/40/1070686840.db2.gz YCYRMYZRPWFHJK-RQZCQDPDSA-N -1 0 633.282 5.757 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409259314 1070681071 /nfs/dbraw/zinc/68/10/71/1070681071.db2.gz YHJSMIJWFDDFMN-NDENLUEZSA-N -1 0 640.918 6.110 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1C ZINC000409252193 1070683255 /nfs/dbraw/zinc/68/32/55/1070683255.db2.gz CPLYLMHWCSEGOI-UKWGHVSLSA-N -1 0 586.859 6.256 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409261734 1070697726 /nfs/dbraw/zinc/69/77/26/1070697726.db2.gz ASDQVBTVABJRCD-BOPFTXTBSA-N -1 0 633.680 5.549 40 10 KKCBRM Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1C ZINC000409272283 1070709985 /nfs/dbraw/zinc/70/99/85/1070709985.db2.gz FVKMZAFEDDLGJR-NHDPSOOVSA-N -1 0 510.955 5.590 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408879648 1070792470 /nfs/dbraw/zinc/79/24/70/1070792470.db2.gz DJILAOFFPDUDEP-WQRHYEAKSA-N -1 0 665.253 5.837 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408880170 1070789869 /nfs/dbraw/zinc/78/98/69/1070789869.db2.gz DTZKKONLHYBBNP-HMAPJEAMSA-N -1 0 518.997 5.855 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408879926 1070790526 /nfs/dbraw/zinc/79/05/26/1070790526.db2.gz GCNRRPBVFNZGIO-LFVJCYFKSA-N -1 0 546.988 5.236 40 10 KKCBRM Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408879696 1070792773 /nfs/dbraw/zinc/79/27/73/1070792773.db2.gz DUSBWWPSSSLNNN-PCLIKHOPSA-N -1 0 529.423 7.021 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408880010 1070791289 /nfs/dbraw/zinc/79/12/89/1070791289.db2.gz IEESNGYBXPDWMP-HYARGMPZSA-N -1 0 567.367 5.010 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408880980 1070785271 /nfs/dbraw/zinc/78/52/71/1070785271.db2.gz JSBLBXWKVMYVQB-WSDLNYQXSA-N -1 0 518.997 5.828 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408880749 1070787128 /nfs/dbraw/zinc/78/71/28/1070787128.db2.gz KRDGOWCNHPSZPL-CIAFOILYSA-N -1 0 597.893 6.672 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408880720 1070787195 /nfs/dbraw/zinc/78/71/95/1070787195.db2.gz KOAZDTMUDYVLQJ-CIAFOILYSA-N -1 0 524.932 5.132 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408879469 1070793376 /nfs/dbraw/zinc/79/33/76/1070793376.db2.gz GJSXVVAQBVUFJX-PDGQHHTCSA-N -1 0 527.827 5.513 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408879126 1070796310 /nfs/dbraw/zinc/79/63/10/1070796310.db2.gz FPFWOWCRXHCEGV-OGLMXYFKSA-N -1 0 552.558 5.659 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408879170 1070796759 /nfs/dbraw/zinc/79/67/59/1070796759.db2.gz CTEHQUIOIFQYQI-LPYMAVHISA-N -1 0 584.264 6.074 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408878998 1070797711 /nfs/dbraw/zinc/79/77/11/1070797711.db2.gz DQFKKTBHWHVZRS-WQRHYEAKSA-N -1 0 557.853 5.521 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408878852 1070798098 /nfs/dbraw/zinc/79/80/98/1070798098.db2.gz COEJKAAQZPERMT-OEAKJJBVSA-N -1 0 519.395 5.332 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408878834 1070798216 /nfs/dbraw/zinc/79/82/16/1070798216.db2.gz CFAMVVCCTJFYJL-BOPFTXTBSA-N -1 0 574.200 5.596 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408878645 1070798838 /nfs/dbraw/zinc/79/88/38/1070798838.db2.gz AFKPKRPGXIQGPE-STBIYBPSSA-N -1 0 611.094 7.180 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408878211 1070800637 /nfs/dbraw/zinc/80/06/37/1070800637.db2.gz YFVMRFYESFPKSP-YBFXNURJSA-N -1 0 539.813 5.677 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408877407 1070809313 /nfs/dbraw/zinc/80/93/13/1070809313.db2.gz RKQBQEOJYHDISO-UDWIEESQSA-N -1 0 584.264 5.868 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Cc1ccccc1Br ZINC000408877394 1070809547 /nfs/dbraw/zinc/80/95/47/1070809547.db2.gz RIWGEULKYUZXEJ-KEBDBYFISA-N -1 0 676.261 5.618 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccccc1Cc1cccc(F)c1 ZINC000408877452 1070807729 /nfs/dbraw/zinc/80/77/29/1070807729.db2.gz VYXVDPPMKMOWDH-TURZUDJPSA-N -1 0 506.533 5.662 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408888951 1070811633 /nfs/dbraw/zinc/81/16/33/1070811633.db2.gz CZNZXBWAEXNAFL-RGVLZGJSSA-N -1 0 619.877 5.244 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408888727 1070812285 /nfs/dbraw/zinc/81/22/85/1070812285.db2.gz ZQTYKUGBOUICDW-FYJGNVAPSA-N -1 0 569.035 5.098 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)c(Cl)c2)C1=O ZINC000408888080 1070816231 /nfs/dbraw/zinc/81/62/31/1070816231.db2.gz WNJLQQVARXEETJ-VCHYOVAHSA-N -1 0 560.231 6.310 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408887478 1070821305 /nfs/dbraw/zinc/82/13/05/1070821305.db2.gz QYQVZBRVWUZQKN-OVVQPSECSA-N -1 0 647.503 5.771 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408890918 1070822357 /nfs/dbraw/zinc/82/23/57/1070822357.db2.gz IJOOVHVOVMJSRS-CIAFOILYSA-N -1 0 535.394 5.320 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408897210 1070823727 /nfs/dbraw/zinc/82/37/27/1070823727.db2.gz IGTUIQJTBQYBLB-UCQKPKSFSA-N -1 0 569.441 6.426 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408897206 1070824055 /nfs/dbraw/zinc/82/40/55/1070824055.db2.gz IEUCCASOVPWCOT-XKZIYDEJSA-N -1 0 598.291 6.382 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408897085 1070825866 /nfs/dbraw/zinc/82/58/66/1070825866.db2.gz VJVVJYMEBPHHBD-HZHRSRAPSA-N -1 0 545.364 5.987 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408896959 1070826974 /nfs/dbraw/zinc/82/69/74/1070826974.db2.gz PGXQQVSJUWJLPE-UNOMPAQXSA-N -1 0 510.974 5.288 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408896971 1070827157 /nfs/dbraw/zinc/82/71/57/1070827157.db2.gz VCINZDQVQWFNJA-UDWIEESQSA-N -1 0 539.357 5.232 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408896099 1070838040 /nfs/dbraw/zinc/83/80/40/1070838040.db2.gz JMDBWPSKTZRPPY-MTJSOVHGSA-N -1 0 628.317 6.473 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408896676 1070830569 /nfs/dbraw/zinc/83/05/69/1070830569.db2.gz HFPQSNCFLHHRIB-UCQKPKSFSA-N -1 0 569.441 6.426 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2F)C1=O ZINC000408896680 1070830952 /nfs/dbraw/zinc/83/09/52/1070830952.db2.gz HHOJZETVBPUQOD-UYRXBGFRSA-N -1 0 509.331 5.142 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Br)c1 ZINC000408896652 1070831261 /nfs/dbraw/zinc/83/12/61/1070831261.db2.gz GXRHBKWSESAUIJ-MTJSOVHGSA-N -1 0 598.291 6.382 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4c(C)ccc5ccccc54)c(Br)c3)C2=O)ccc1Br ZINC000408896674 1070831563 /nfs/dbraw/zinc/83/15/63/1070831563.db2.gz HELQCGPCWGKGFQ-UCQKPKSFSA-N -1 0 634.324 7.227 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccccc2Br)c1 ZINC000408896133 1070835153 /nfs/dbraw/zinc/83/51/53/1070835153.db2.gz PEIRHXMQVWOXDM-FYJGNVAPSA-N -1 0 535.394 5.320 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408896142 1070835463 /nfs/dbraw/zinc/83/54/63/1070835463.db2.gz PHUFNMPFVWTIEC-WOJGMQOQSA-N -1 0 635.106 6.220 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408895847 1070838761 /nfs/dbraw/zinc/83/87/61/1070838761.db2.gz MBWKKFUEODRDAE-VCHYOVAHSA-N -1 0 515.780 6.201 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408896074 1070837769 /nfs/dbraw/zinc/83/77/69/1070837769.db2.gz MRFHIJMNQKQLPP-BKUYFWCQSA-N -1 0 522.960 5.686 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000408895901 1070840000 /nfs/dbraw/zinc/84/00/00/1070840000.db2.gz MEMMDBQEVTVASK-WOJGMQOQSA-N -1 0 527.758 5.054 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408895270 1070846628 /nfs/dbraw/zinc/84/66/28/1070846628.db2.gz DKGUZEOOMWKYNI-IWIPYMOSSA-N -1 0 594.020 6.071 40 10 KKCBRM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)ccc1Cl ZINC000409334377 1070840826 /nfs/dbraw/zinc/84/08/26/1070840826.db2.gz XFMJEZSLBZRCRO-NVMNQCDNSA-N -1 0 510.807 7.011 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408895945 1070840860 /nfs/dbraw/zinc/84/08/60/1070840860.db2.gz GFAYPZRCLMHJHT-UCQKPKSFSA-N -1 0 660.892 6.378 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408895797 1070842834 /nfs/dbraw/zinc/84/28/34/1070842834.db2.gz OFJZRPPACFQZJA-HZHRSRAPSA-N -1 0 561.819 6.501 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408895671 1070844239 /nfs/dbraw/zinc/84/42/39/1070844239.db2.gz NUDWCIHVYFFKHD-UDWIEESQSA-N -1 0 661.290 6.006 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408895244 1070845643 /nfs/dbraw/zinc/84/56/43/1070845643.db2.gz DBXIDBOKWIJWED-XYGWBWBKSA-N -1 0 545.548 5.028 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408895229 1070849085 /nfs/dbraw/zinc/84/90/85/1070849085.db2.gz DBHKXHHRHGXGDR-HMAPJEAMSA-N -1 0 525.388 6.028 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1F ZINC000408894717 1070852422 /nfs/dbraw/zinc/85/24/22/1070852422.db2.gz KWEDDPKVGMUIIP-CPNJWEJPSA-N -1 0 508.933 5.432 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408894596 1070853438 /nfs/dbraw/zinc/85/34/38/1070853438.db2.gz ITQLDAUUTARMDR-DEDYPNTBSA-N -1 0 583.822 5.525 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 ZINC000408894301 1070857021 /nfs/dbraw/zinc/85/70/21/1070857021.db2.gz CAOOUDLHJAUBRH-UCQKPKSFSA-N -1 0 579.993 5.681 40 10 KKCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2Br)c1 ZINC000408894095 1070857253 /nfs/dbraw/zinc/85/72/53/1070857253.db2.gz DKKDEVYDNXRTHN-NDENLUEZSA-N -1 0 584.264 6.074 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000408894168 1070858155 /nfs/dbraw/zinc/85/81/55/1070858155.db2.gz BKLUMJLEZFDBMG-JMIUGGIZSA-N -1 0 590.257 6.318 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408894204 1070859097 /nfs/dbraw/zinc/85/90/97/1070859097.db2.gz BPTJJAASHXWLKN-UCQKPKSFSA-N -1 0 624.444 5.790 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408894022 1070859864 /nfs/dbraw/zinc/85/98/64/1070859864.db2.gz CXQJRCKGDJNORE-NDENLUEZSA-N -1 0 614.290 6.164 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408893636 1070860919 /nfs/dbraw/zinc/86/09/19/1070860919.db2.gz BJEVEJDNFDAEDR-IMRQLAEWSA-N -1 0 585.454 6.637 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Br)C1=O ZINC000408893647 1070861264 /nfs/dbraw/zinc/86/12/64/1070861264.db2.gz GJZHTVLRHXXLQE-ZHZULCJRSA-N -1 0 584.264 6.019 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)cc2)C1=O ZINC000408893608 1070864191 /nfs/dbraw/zinc/86/41/91/1070864191.db2.gz CHVHLYHLAJJHMX-BKUYFWCQSA-N -1 0 525.786 5.656 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409348179 1070864845 /nfs/dbraw/zinc/86/48/45/1070864845.db2.gz RXBVQUYTSRIZAH-KEBDBYFISA-N -1 0 606.501 5.553 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408892520 1070871627 /nfs/dbraw/zinc/87/16/27/1070871627.db2.gz BVAAAMGNZXEDSX-DEDYPNTBSA-N -1 0 525.344 5.025 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408893082 1070866663 /nfs/dbraw/zinc/86/66/63/1070866663.db2.gz FCZIGUHQTZIZRC-FSJBWODESA-N -1 0 563.448 5.937 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408893061 1070866737 /nfs/dbraw/zinc/86/67/37/1070866737.db2.gz FDPCMPUFOLHXBJ-VCHYOVAHSA-N -1 0 667.681 5.961 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408892874 1070870210 /nfs/dbraw/zinc/87/02/10/1070870210.db2.gz AAUSBHDIHZDGHG-NDENLUEZSA-N -1 0 555.812 5.665 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408892372 1070872894 /nfs/dbraw/zinc/87/28/94/1070872894.db2.gz YZEOKPHSBIZRRG-HZHRSRAPSA-N -1 0 543.373 5.553 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408891145 1070880924 /nfs/dbraw/zinc/88/09/24/1070880924.db2.gz MFLKCXYOXQECMR-UDWIEESQSA-N -1 0 586.357 5.074 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408890643 1070881627 /nfs/dbraw/zinc/88/16/27/1070881627.db2.gz XAEBHAREONZHKR-ZVHZXABRSA-N -1 0 668.484 5.729 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409365132 1070881741 /nfs/dbraw/zinc/88/17/41/1070881741.db2.gz STCZQLVFIMUJNC-LFVJCYFKSA-N -1 0 605.619 5.096 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000408890580 1070881766 /nfs/dbraw/zinc/88/17/66/1070881766.db2.gz VXJSKISCBAZZNV-STZFKDTASA-N -1 0 523.358 5.396 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000409365600 1070882401 /nfs/dbraw/zinc/88/24/01/1070882401.db2.gz UUDSFHFTSYFEQS-QQXSKIMKSA-N -1 0 600.002 5.742 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408889910 1070886340 /nfs/dbraw/zinc/88/63/40/1070886340.db2.gz KUOAMEBTZWTKBJ-VXLYETTFSA-N -1 0 590.257 6.400 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408889929 1070886572 /nfs/dbraw/zinc/88/65/72/1070886572.db2.gz LEFGEQWEAZDPAF-YBFXNURJSA-N -1 0 661.290 5.925 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Br)C1=O ZINC000408889452 1070888777 /nfs/dbraw/zinc/88/87/77/1070888777.db2.gz HDSWGUNNXWMGLX-CPNJWEJPSA-N -1 0 570.237 5.765 40 10 KKCBRM Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)c(C)c1 ZINC000409371041 1070894375 /nfs/dbraw/zinc/89/43/75/1070894375.db2.gz ANBHMUMORYTHKS-UUYOSTAYSA-N -1 0 504.564 5.553 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409382683 1070899804 /nfs/dbraw/zinc/89/98/04/1070899804.db2.gz PEJMVZUXQGLWRS-FYJGNVAPSA-N -1 0 599.934 6.474 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408889215 1070890468 /nfs/dbraw/zinc/89/04/68/1070890468.db2.gz AVHHZMDZZDUORY-XKZIYDEJSA-N -1 0 565.489 5.875 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408904334 1070900819 /nfs/dbraw/zinc/90/08/19/1070900819.db2.gz HZPFFOATWFHXJG-CIAFOILYSA-N -1 0 568.367 5.383 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O[C@@H](C)CC ZINC000408903790 1070902071 /nfs/dbraw/zinc/90/20/71/1070902071.db2.gz ZDQZHNUZWPWPOQ-VZWMTCDZSA-N -1 0 566.246 5.454 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408902595 1070909800 /nfs/dbraw/zinc/90/98/00/1070909800.db2.gz KTHQSPSFCCCDJN-DJKKODMXSA-N -1 0 644.272 5.584 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902993 1070906123 /nfs/dbraw/zinc/90/61/23/1070906123.db2.gz TYMLAVCYRCCHDD-FYJGNVAPSA-N -1 0 603.459 5.983 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408902890 1070907982 /nfs/dbraw/zinc/90/79/82/1070907982.db2.gz NAZHUNBXPUAMEA-BUVRLJJBSA-N -1 0 500.913 5.878 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409399240 1070913349 /nfs/dbraw/zinc/91/33/49/1070913349.db2.gz GSEWTKLWZYBBQW-WQRHYEAKSA-N -1 0 558.772 5.060 40 10 KKCBRM O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408902150 1070913413 /nfs/dbraw/zinc/91/34/13/1070913413.db2.gz KXUUMOCQJRQUFM-FYJGNVAPSA-N -1 0 573.433 5.974 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408901969 1070914602 /nfs/dbraw/zinc/91/46/02/1070914602.db2.gz DBAYVBSIQXNAFO-UDWIEESQSA-N -1 0 598.837 5.185 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1 ZINC000408901753 1070917151 /nfs/dbraw/zinc/91/71/51/1070917151.db2.gz ZTQNDIWLFHSMRV-IWIPYMOSSA-N -1 0 593.474 6.190 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000408901778 1070918176 /nfs/dbraw/zinc/91/81/76/1070918176.db2.gz ZZIAJXZGWOMCIM-UCQKPKSFSA-N -1 0 671.444 5.632 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408901568 1070918769 /nfs/dbraw/zinc/91/87/69/1070918769.db2.gz YWJOIFWQAMARSR-QJOMJCCJSA-N -1 0 504.970 5.764 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408901374 1070920606 /nfs/dbraw/zinc/92/06/06/1070920606.db2.gz XNULANDQHJHFKH-UCQKPKSFSA-N -1 0 552.986 5.912 40 10 KKCBRM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408901346 1070923801 /nfs/dbraw/zinc/92/38/01/1070923801.db2.gz DIZYFKCTIBGHTN-CIAFOILYSA-N -1 0 521.367 5.541 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408901114 1070924494 /nfs/dbraw/zinc/92/44/94/1070924494.db2.gz VVFBKCWQUDZHBC-ONUIUJJFSA-N -1 0 585.454 6.637 40 10 KKCBRM Cc1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000408901167 1070924931 /nfs/dbraw/zinc/92/49/31/1070924931.db2.gz WNKYFUUZAAQKHL-BKUYFWCQSA-N -1 0 539.813 5.965 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408901144 1070925373 /nfs/dbraw/zinc/92/53/73/1070925373.db2.gz WHHSXPLWTWERER-LSCVHKIXSA-N -1 0 624.702 6.972 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409408152 1070926370 /nfs/dbraw/zinc/92/63/70/1070926370.db2.gz PRSFGWAXNQPMMK-GRSHGNNSSA-N -1 0 517.796 6.086 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408900746 1070929898 /nfs/dbraw/zinc/92/98/98/1070929898.db2.gz ULYRTHOWROGHIA-XYGWBWBKSA-N -1 0 563.448 6.100 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000408900753 1070930123 /nfs/dbraw/zinc/93/01/23/1070930123.db2.gz UOGIPLQYAQMXHX-UQQQWYQISA-N -1 0 549.023 6.163 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408900733 1070930228 /nfs/dbraw/zinc/93/02/28/1070930228.db2.gz UGVLVDCPSOUUJA-HMAPJEAMSA-N -1 0 565.420 5.492 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 ZINC000408900492 1070931003 /nfs/dbraw/zinc/93/10/03/1070931003.db2.gz SZYLUMZUSCTNRO-BKUYFWCQSA-N -1 0 555.414 6.036 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408899996 1070940372 /nfs/dbraw/zinc/94/03/72/1070940372.db2.gz QXMZQHGNBHXTCR-UCQKPKSFSA-N -1 0 624.444 5.790 40 10 KKCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408899538 1070944321 /nfs/dbraw/zinc/94/43/21/1070944321.db2.gz UUJSGCJGWGUJHY-MTJSOVHGSA-N -1 0 600.263 5.774 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1 ZINC000408899431 1070946541 /nfs/dbraw/zinc/94/65/41/1070946541.db2.gz PFIFCPTYOKJKBM-ONUIUJJFSA-N -1 0 528.605 5.736 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O[C@H](C)CC ZINC000408899397 1070945871 /nfs/dbraw/zinc/94/58/71/1070945871.db2.gz OYHKVKLLLDSTCR-YDDPGSGASA-N -1 0 515.404 5.308 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1 ZINC000408900038 1070940943 /nfs/dbraw/zinc/94/09/43/1070940943.db2.gz RBUJJFAIBZUAQO-VEILYXNESA-N -1 0 690.534 7.267 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408899406 1070946643 /nfs/dbraw/zinc/94/66/43/1070946643.db2.gz OZUDUTWWMKIRAJ-JLPGSUDCSA-N -1 0 594.418 5.782 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408899316 1070948651 /nfs/dbraw/zinc/94/86/51/1070948651.db2.gz OJDCLPBFSIWTSK-XKZIYDEJSA-N -1 0 583.410 5.631 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408898930 1070950631 /nfs/dbraw/zinc/95/06/31/1070950631.db2.gz NFUPCBPIAXYTPB-XKZIYDEJSA-N -1 0 646.865 5.987 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408898972 1070951576 /nfs/dbraw/zinc/95/15/76/1070951576.db2.gz NNYQNTUJRGNSMJ-UUYOSTAYSA-N -1 0 642.344 6.781 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408898476 1070955518 /nfs/dbraw/zinc/95/55/18/1070955518.db2.gz WDLSJMKGXFDLSQ-KEBDBYFISA-N -1 0 584.354 5.141 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000408898217 1070958789 /nfs/dbraw/zinc/95/87/89/1070958789.db2.gz VUNFILXMGLUWBM-UNOMPAQXSA-N -1 0 569.839 5.919 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408898562 1070956154 /nfs/dbraw/zinc/95/61/54/1070956154.db2.gz WYSDDXDIQGLZCK-WOJGMQOQSA-N -1 0 541.785 5.357 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)ccc1Br ZINC000408898334 1070956927 /nfs/dbraw/zinc/95/69/27/1070956927.db2.gz LGHMCUAXCGTNMJ-IWIPYMOSSA-N -1 0 559.391 6.295 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 ZINC000408898344 1070956946 /nfs/dbraw/zinc/95/69/46/1070956946.db2.gz LISPAQJTEXERMP-HAHDFKILSA-N -1 0 504.970 5.683 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1 ZINC000408898418 1070958160 /nfs/dbraw/zinc/95/81/60/1070958160.db2.gz MEKBALPZZOEGHW-HMAPJEAMSA-N -1 0 569.441 6.426 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1 ZINC000408898780 1070952808 /nfs/dbraw/zinc/95/28/08/1070952808.db2.gz MQJZJGNMSCEHGA-IWIPYMOSSA-N -1 0 674.919 6.768 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000408898237 1070959502 /nfs/dbraw/zinc/95/95/02/1070959502.db2.gz PIFQUGAXZUKYCW-NDENLUEZSA-N -1 0 615.234 5.674 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000408897790 1070964338 /nfs/dbraw/zinc/96/43/38/1070964338.db2.gz OINKPELWVJARDV-ODLFYWEKSA-N -1 0 570.783 5.565 40 10 KKCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408898008 1070960752 /nfs/dbraw/zinc/96/07/52/1070960752.db2.gz KJPLZYNKVCQQBF-ULJHMMPZSA-N -1 0 515.522 5.019 40 10 KKCBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 ZINC000408897603 1070965065 /nfs/dbraw/zinc/96/50/65/1070965065.db2.gz YUSPMMYRUCXMGE-LPYMAVHISA-N -1 0 611.420 5.409 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408897781 1070964327 /nfs/dbraw/zinc/96/43/27/1070964327.db2.gz UADKGSITKSOXTE-SSDVNMTOSA-N -1 0 641.418 5.460 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408897440 1070966407 /nfs/dbraw/zinc/96/64/07/1070966407.db2.gz SDDAJLZLLUJICI-MHWRWJLKSA-N -1 0 667.681 5.961 40 10 KKCBRM Cc1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2I)cc1 ZINC000408909379 1070978352 /nfs/dbraw/zinc/97/83/52/1070978352.db2.gz GWVXCBHQWIVVJS-DJKKODMXSA-N -1 0 682.227 5.589 40 10 KKCBRM CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C(=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000408922352 1071091924 /nfs/dbraw/zinc/09/19/24/1071091924.db2.gz OMJBYENSPSPWQJ-PRLWALMFSA-N -1 0 601.750 5.014 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408919392 1071120052 /nfs/dbraw/zinc/12/00/52/1071120052.db2.gz XGGDNDGSWZSSED-LSCVHKIXSA-N -1 0 610.288 6.314 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408917294 1071147697 /nfs/dbraw/zinc/14/76/97/1071147697.db2.gz QMORIIMIBWRQCY-OYKKKHCWSA-N -1 0 652.485 6.393 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C(F)(F)F)ccc4Cl)C3=O)cc2)c1 ZINC000408933942 1071199844 /nfs/dbraw/zinc/19/98/44/1071199844.db2.gz CGLKFSQPAFVOJL-MTJSOVHGSA-N -1 0 528.914 6.221 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000408937174 1071202535 /nfs/dbraw/zinc/20/25/35/1071202535.db2.gz MUQJJWKOFSRFTD-BOPFTXTBSA-N -1 0 535.305 6.258 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408937045 1071203969 /nfs/dbraw/zinc/20/39/69/1071203969.db2.gz HPARHDDBAHRKQP-SRZZPIQSSA-N -1 0 580.391 5.228 40 10 KKCBRM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000408937017 1071204125 /nfs/dbraw/zinc/20/41/25/1071204125.db2.gz LZYIPCCMUUMEQC-IWIPYMOSSA-N -1 0 578.974 7.374 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408936923 1071206664 /nfs/dbraw/zinc/20/66/64/1071206664.db2.gz LIOABBMYXPVEDC-VULFUBBASA-N -1 0 712.899 6.917 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408936390 1071213652 /nfs/dbraw/zinc/21/36/52/1071213652.db2.gz FVYCFFQNHBMYEW-YBFXNURJSA-N -1 0 556.756 5.256 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000408936465 1071210833 /nfs/dbraw/zinc/21/08/33/1071210833.db2.gz JZKHPURWUMGOSJ-ONUIUJJFSA-N -1 0 556.977 6.304 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(OC)c1OC ZINC000408936515 1071211678 /nfs/dbraw/zinc/21/16/78/1071211678.db2.gz KSISWCXISLZULP-KEBDBYFISA-N -1 0 557.386 5.265 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408935969 1071215867 /nfs/dbraw/zinc/21/58/67/1071215867.db2.gz JCHKTBMGWJJHRD-OCKHKDLRSA-N -1 0 684.836 6.834 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408936019 1071215933 /nfs/dbraw/zinc/21/59/33/1071215933.db2.gz JODLECSDQXACQO-PCLIKHOPSA-N -1 0 603.458 6.826 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408935939 1071218503 /nfs/dbraw/zinc/21/85/03/1071218503.db2.gz IZGMUJFWHCKHCZ-UVHMKAGCSA-N -1 0 710.408 8.206 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408935932 1071218579 /nfs/dbraw/zinc/21/85/79/1071218579.db2.gz IXKXCFRWAZKJOJ-MUFRIFMGSA-N -1 0 645.539 7.833 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935566 1071220928 /nfs/dbraw/zinc/22/09/28/1071220928.db2.gz HXHIYTATFSPTIA-VULFUBBASA-N -1 0 807.446 7.318 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000408935564 1071221020 /nfs/dbraw/zinc/22/10/20/1071221020.db2.gz HXCPWLRGPWYRNS-QXPFVDMISA-N -1 0 554.602 6.664 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408935221 1071226647 /nfs/dbraw/zinc/22/66/47/1071226647.db2.gz CGQFQVKKVORNJH-RGVLZGJSSA-N -1 0 600.809 5.655 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408935057 1071228412 /nfs/dbraw/zinc/22/84/12/1071228412.db2.gz GEVRZIZBSFOPDB-ODLFYWEKSA-N -1 0 501.753 5.892 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408934598 1071232948 /nfs/dbraw/zinc/23/29/48/1071232948.db2.gz FGDRSYDJAYDTTQ-YZSQISJMSA-N -1 0 617.485 7.217 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408934587 1071233119 /nfs/dbraw/zinc/23/31/19/1071233119.db2.gz FDXMCIUBOZKRSR-NVMNQCDNSA-N -1 0 688.799 6.747 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OCc5ccc(Cl)cc5)cc4)C3=O)cc2Cl)cc1 ZINC000408934489 1071235044 /nfs/dbraw/zinc/23/50/44/1071235044.db2.gz DRULFIVYBANFAT-WGOQTCKBSA-N -1 0 637.497 6.315 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408933780 1071236961 /nfs/dbraw/zinc/23/69/61/1071236961.db2.gz BGKFVKNOPWMCIF-WYMPLXKRSA-N -1 0 763.799 8.084 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408947270 1071263229 /nfs/dbraw/zinc/26/32/29/1071263229.db2.gz BNWUKGICIQRNPR-VTNSRFBWSA-N -1 0 661.596 8.316 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)OC ZINC000408946685 1071267098 /nfs/dbraw/zinc/26/70/98/1071267098.db2.gz AVUAGPSMLQVHRW-BHGWPJFGSA-N -1 0 684.527 5.376 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408945042 1071280582 /nfs/dbraw/zinc/28/05/82/1071280582.db2.gz VSMSSVMLHOSHLH-QGMBQPNBSA-N -1 0 576.776 5.809 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408942242 1071302278 /nfs/dbraw/zinc/30/22/78/1071302278.db2.gz YMBQCPGDXWLUPR-VULFUBBASA-N -1 0 665.899 7.075 40 10 KKCBRM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408942181 1071302458 /nfs/dbraw/zinc/30/24/58/1071302458.db2.gz XXHATHGRKXNOQY-RWPZCVJISA-N -1 0 635.931 8.088 40 10 KKCBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc2ccccc2n1Cc1ccccc1F ZINC000408941454 1071308271 /nfs/dbraw/zinc/30/82/71/1071308271.db2.gz WPKDZYQOUYRXIY-UYRXBGFRSA-N -1 0 541.888 6.167 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000408940732 1071314980 /nfs/dbraw/zinc/31/49/80/1071314980.db2.gz UYHZCTRLKWEXKL-AFUMVMLFSA-N -1 0 625.867 7.610 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408940821 1071313950 /nfs/dbraw/zinc/31/39/50/1071313950.db2.gz VFWPHYPNKXZLRQ-ODLFYWEKSA-N -1 0 512.305 5.147 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408938741 1071329762 /nfs/dbraw/zinc/32/97/62/1071329762.db2.gz RJCVWNUZOUZDGB-RWPZCVJISA-N -1 0 631.512 7.443 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1Cl ZINC000408938371 1071332147 /nfs/dbraw/zinc/33/21/47/1071332147.db2.gz QFKHRZDCSGLHHN-JMIUGGIZSA-N -1 0 515.780 6.201 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OCc1cccc(F)c1 ZINC000408938438 1071332894 /nfs/dbraw/zinc/33/28/94/1071332894.db2.gz QPFLIQHEUJYHQY-ZDLGFXPLSA-N -1 0 548.876 5.752 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408952357 1071345135 /nfs/dbraw/zinc/34/51/35/1071345135.db2.gz NLHPGFIIKRPKRB-IPPBACCNSA-N -1 0 702.589 7.321 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408951090 1071352263 /nfs/dbraw/zinc/35/22/63/1071352263.db2.gz LAEIUMQIJKHTQD-WSDLNYQXSA-N -1 0 618.383 5.419 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408951128 1071353013 /nfs/dbraw/zinc/35/30/13/1071353013.db2.gz LOCKUXWSOFAOHD-REZTVBANSA-N -1 0 681.266 5.971 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408951098 1071353085 /nfs/dbraw/zinc/35/30/85/1071353085.db2.gz LDTPEULPJRSNQD-QGMBQPNBSA-N -1 0 590.213 5.730 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408951037 1071352012 /nfs/dbraw/zinc/35/20/12/1071352012.db2.gz KTGFPZMKXLXGEH-KVSWJAHQSA-N -1 0 724.479 8.868 40 10 KKCBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000408949506 1071360363 /nfs/dbraw/zinc/36/03/63/1071360363.db2.gz IGLPEWMYBWGZSW-STBIYBPSSA-N -1 0 605.691 5.847 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408949587 1071359792 /nfs/dbraw/zinc/35/97/92/1071359792.db2.gz ILNAEDKTOJCWTP-SSDVNMTOSA-N -1 0 521.411 5.289 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408950307 1071356314 /nfs/dbraw/zinc/35/63/14/1071356314.db2.gz JDJOXOHRHLWQAD-KEBDBYFISA-N -1 0 534.952 5.021 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408950412 1071356767 /nfs/dbraw/zinc/35/67/67/1071356767.db2.gz JXDKYTBBBKBCSD-KKMKTNMSSA-N -1 0 829.429 7.517 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408949500 1071360706 /nfs/dbraw/zinc/36/07/06/1071360706.db2.gz IFXHZNOUBSNGHI-KKMKTNMSSA-N -1 0 771.479 8.710 40 10 KKCBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)c1 ZINC000408948931 1071363585 /nfs/dbraw/zinc/36/35/85/1071363585.db2.gz HLBTYDFXQQBYEL-KBVAKVRCSA-N -1 0 591.708 6.405 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408948414 1071365087 /nfs/dbraw/zinc/36/50/87/1071365087.db2.gz GCALYLZNHFMKJI-OKCVXOCRSA-N -1 0 621.690 6.707 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408947293 1071371614 /nfs/dbraw/zinc/37/16/14/1071371614.db2.gz BUDHFJRMSCEETM-FSJBWODESA-N -1 0 662.436 5.817 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000408947409 1071370999 /nfs/dbraw/zinc/37/09/99/1071370999.db2.gz CLIHDUYNHOFBPN-KBVAKVRCSA-N -1 0 526.636 7.127 40 10 KKCBRM COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408957040 1071373469 /nfs/dbraw/zinc/37/34/69/1071373469.db2.gz ZUHHLTITQVPZII-WYMPLXKRSA-N -1 0 593.474 5.135 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408956856 1071373788 /nfs/dbraw/zinc/37/37/88/1071373788.db2.gz YUIZBMPRSILNCF-IPPBACCNSA-N -1 0 745.614 6.760 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408956921 1071374705 /nfs/dbraw/zinc/37/47/05/1071374705.db2.gz ZHCJHTQHVZBWME-REZTVBANSA-N -1 0 634.664 5.839 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)cc1 ZINC000408956457 1071377422 /nfs/dbraw/zinc/37/74/22/1071377422.db2.gz WXQNXVLIDSESNZ-KBVAKVRCSA-N -1 0 546.667 6.708 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408956969 1071374790 /nfs/dbraw/zinc/37/47/90/1071374790.db2.gz ZKBGTHHSHOGUCQ-CCVNUDIWSA-N -1 0 703.533 6.913 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408956829 1071376195 /nfs/dbraw/zinc/37/61/95/1071376195.db2.gz YQHDUAGMGJHUCN-XODNFHPESA-N -1 0 676.007 7.824 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408956416 1071377578 /nfs/dbraw/zinc/37/75/78/1071377578.db2.gz WPZQSWOSIDNNCM-CCVNUDIWSA-N -1 0 656.533 7.071 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408955233 1071386962 /nfs/dbraw/zinc/38/69/62/1071386962.db2.gz UAXXFHLLTOMDRP-QGMBQPNBSA-N -1 0 630.245 5.194 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408955212 1071386989 /nfs/dbraw/zinc/38/69/89/1071386989.db2.gz UAEOFJGTWRNEBP-KPGMTVGESA-N -1 0 691.622 8.324 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408693918 1071389614 /nfs/dbraw/zinc/38/96/14/1071389614.db2.gz BNFPRMXFNXGZKS-OEAKJJBVSA-N -1 0 610.448 5.827 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408954562 1071389867 /nfs/dbraw/zinc/38/98/67/1071389867.db2.gz RLOMEXFGUDEANE-WCMJOSRZSA-N -1 0 590.123 7.477 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408954590 1071390558 /nfs/dbraw/zinc/39/05/58/1071390558.db2.gz RVIGGLVGMJEZLJ-XODNFHPESA-N -1 0 814.458 7.618 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408692360 1071395306 /nfs/dbraw/zinc/39/53/06/1071395306.db2.gz KTRZHCUIPNSVKY-WGOQTCKBSA-N -1 0 501.558 5.217 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000408953285 1071397166 /nfs/dbraw/zinc/39/71/66/1071397166.db2.gz PNIIBMCEUICORD-FRKPEAEDSA-N -1 0 573.758 5.216 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408953306 1071397492 /nfs/dbraw/zinc/39/74/92/1071397492.db2.gz PQPXDNQENHKQKW-IPPBACCNSA-N -1 0 611.138 7.370 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408953319 1071397778 /nfs/dbraw/zinc/39/77/78/1071397778.db2.gz PSNYLEYVYUOKSQ-KIBLKLHPSA-N -1 0 670.420 9.013 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000408953142 1071398423 /nfs/dbraw/zinc/39/84/23/1071398423.db2.gz OWHGKYISGRECIB-VULFUBBASA-N -1 0 527.020 6.734 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408966055 1071411788 /nfs/dbraw/zinc/41/17/88/1071411788.db2.gz LEWVOUNALBPFTK-UKTHLTGXSA-N -1 0 540.197 5.986 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408966818 1071407710 /nfs/dbraw/zinc/40/77/10/1071407710.db2.gz OHHBNUHPEGGHNZ-OQLLNIDSSA-N -1 0 522.816 6.025 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408965950 1071412436 /nfs/dbraw/zinc/41/24/36/1071412436.db2.gz KJZJJFUDISUVMP-UVHMKAGCSA-N -1 0 588.148 7.186 40 10 KKCBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1Cl ZINC000408964587 1071417169 /nfs/dbraw/zinc/41/71/69/1071417169.db2.gz DSRLHTKFZNAQCW-GIJQJNRQSA-N -1 0 546.407 5.158 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408964452 1071417913 /nfs/dbraw/zinc/41/79/13/1071417913.db2.gz CKYQVPQGTCNLCE-IWIPYMOSSA-N -1 0 530.024 6.385 40 10 KKCBRM Cc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000408972102 1071451073 /nfs/dbraw/zinc/45/10/73/1071451073.db2.gz RVRWJNJQJTUDBA-HAHDFKILSA-N -1 0 526.035 6.210 40 10 KKCBRM CC[C@@H](C)c1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000408970649 1071454449 /nfs/dbraw/zinc/45/44/49/1071454449.db2.gz JPNQWXHUJWOPDP-KQAYJTRBSA-N -1 0 533.671 6.762 40 10 KKCBRM Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2)c1 ZINC000408969341 1071459457 /nfs/dbraw/zinc/45/94/57/1071459457.db2.gz MFBALGKUCIYFDT-QQXSKIMKSA-N -1 0 533.671 6.680 40 10 KKCBRM Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000408969086 1071460749 /nfs/dbraw/zinc/46/07/49/1071460749.db2.gz GZRYATLWTDPAPK-HAHDFKILSA-N -1 0 536.587 5.465 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408967510 1071465720 /nfs/dbraw/zinc/46/57/20/1071465720.db2.gz SYSPCWDBEBFJEI-WUXMJOGZSA-N -1 0 540.743 5.785 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408986947 1071483800 /nfs/dbraw/zinc/48/38/00/1071483800.db2.gz TVGCCVPEJNZYIZ-HYARGMPZSA-N -1 0 504.380 6.013 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408986839 1071486081 /nfs/dbraw/zinc/48/60/81/1071486081.db2.gz NJZKEIXGWAGXRX-OCKHKDLRSA-N -1 0 653.154 7.326 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408986111 1071493022 /nfs/dbraw/zinc/49/30/22/1071493022.db2.gz ZPDURWJIYKXCHP-JAIQZWGSSA-N -1 0 574.258 6.564 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1Cl ZINC000408986152 1071493962 /nfs/dbraw/zinc/49/39/62/1071493962.db2.gz LWJFVTFNFUPNMP-GRSHGNNSSA-N -1 0 604.682 6.419 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1Cl ZINC000408985667 1071497624 /nfs/dbraw/zinc/49/76/24/1071497624.db2.gz XKUQNTJBYMZZCL-MTJSOVHGSA-N -1 0 504.373 5.971 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408985469 1071498657 /nfs/dbraw/zinc/49/86/57/1071498657.db2.gz WZKPGEBVDZQBTG-XKZIYDEJSA-N -1 0 628.317 6.418 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408985528 1071499330 /nfs/dbraw/zinc/49/93/30/1071499330.db2.gz KWYMZDJAWCMMSD-FSJBWODESA-N -1 0 605.872 6.818 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(Br)cc4)cc3Br)C2=O)cc1 ZINC000408985420 1071501170 /nfs/dbraw/zinc/50/11/70/1071501170.db2.gz WUELTRGSADCAIO-MTJSOVHGSA-N -1 0 614.290 6.028 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408984920 1071504513 /nfs/dbraw/zinc/50/45/13/1071504513.db2.gz UICSBHONDGJHJL-NDENLUEZSA-N -1 0 600.384 5.247 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408984686 1071507501 /nfs/dbraw/zinc/50/75/01/1071507501.db2.gz SMMNKMKNVBKYHV-MYYYXRDXSA-N -1 0 541.003 6.446 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1Cl ZINC000408984245 1071511495 /nfs/dbraw/zinc/51/14/95/1071511495.db2.gz IKBKLKIAWOIBOZ-NVMNQCDNSA-N -1 0 604.682 6.419 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408984047 1071512100 /nfs/dbraw/zinc/51/21/00/1071512100.db2.gz PMRWHZOECPGWFJ-FMCGGJTJSA-N -1 0 561.421 6.709 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(F)cc4)cc3Br)C2=O)cc1 ZINC000408984094 1071512728 /nfs/dbraw/zinc/51/27/28/1071512728.db2.gz PRABDJBBBUYLNX-MTJSOVHGSA-N -1 0 553.384 5.405 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408984087 1071512756 /nfs/dbraw/zinc/51/27/56/1071512756.db2.gz PPZDMEQLPFDGCO-CFRMEGHHSA-N -1 0 619.899 7.208 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)C2=O)cc1 ZINC000408983928 1071513764 /nfs/dbraw/zinc/51/37/64/1071513764.db2.gz OMYIUBAYQATPEO-JAIQZWGSSA-N -1 0 621.258 6.406 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408983772 1071515321 /nfs/dbraw/zinc/51/53/21/1071515321.db2.gz HQXCXYVTSNJBRQ-UCQKPKSFSA-N -1 0 528.952 5.534 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408982621 1071525128 /nfs/dbraw/zinc/52/51/28/1071525128.db2.gz IMSVTPKIZJZPSR-HAHDFKILSA-N -1 0 504.970 5.547 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408983031 1071520965 /nfs/dbraw/zinc/52/09/65/1071520965.db2.gz JTLHVKPBISJHRK-CFRMEGHHSA-N -1 0 666.899 7.050 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408983093 1071521682 /nfs/dbraw/zinc/52/16/82/1071521682.db2.gz KIOKOSZLOBZBIH-WSVATBPTSA-N -1 0 599.821 5.394 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4cccc(C)c4)cc3Br)C2=O)cc1 ZINC000408982368 1071527955 /nfs/dbraw/zinc/52/79/55/1071527955.db2.gz GQCPMLGUYDUDJE-XKZIYDEJSA-N -1 0 549.421 5.574 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408723229 1071530297 /nfs/dbraw/zinc/53/02/97/1071530297.db2.gz RLRGVWCMMFXLJU-REZTVBANSA-N -1 0 675.215 7.872 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408981892 1071530691 /nfs/dbraw/zinc/53/06/91/1071530691.db2.gz DLXSCFJVTXJFDZ-FMCGGJTJSA-N -1 0 561.421 6.709 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722946 1071531691 /nfs/dbraw/zinc/53/16/91/1071531691.db2.gz ORHHOTRHGXYXMQ-VIZOYTHASA-N -1 0 729.292 6.437 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408981941 1071531850 /nfs/dbraw/zinc/53/18/50/1071531850.db2.gz FDHLJZGRMAFFNZ-FMCGGJTJSA-N -1 0 605.872 6.818 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000408981544 1071532465 /nfs/dbraw/zinc/53/24/65/1071532465.db2.gz BQDGLSOVGVFFPN-WSVATBPTSA-N -1 0 555.370 5.285 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(I)c3)C2=O)cc1Cl ZINC000408981603 1071533047 /nfs/dbraw/zinc/53/30/47/1071533047.db2.gz BXVPQQLWTYBJQJ-GRSHGNNSSA-N -1 0 590.776 5.638 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408722400 1071533333 /nfs/dbraw/zinc/53/33/33/1071533333.db2.gz IEXVLCXGSKZDGD-WSDLNYQXSA-N -1 0 656.385 7.718 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722449 1071533859 /nfs/dbraw/zinc/53/38/59/1071533859.db2.gz JBLMICXNTWAILX-REZTVBANSA-N -1 0 722.215 7.714 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408721955 1071535600 /nfs/dbraw/zinc/53/56/00/1071535600.db2.gz BQZLOYGJKDVIGK-GIJQJNRQSA-N -1 0 592.298 6.175 40 10 KKCBRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408980961 1071536849 /nfs/dbraw/zinc/53/68/49/1071536849.db2.gz GVWXYLKQTABIFC-NTNOMAAHSA-N -1 0 663.752 5.059 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408981923 1071531574 /nfs/dbraw/zinc/53/15/74/1071531574.db2.gz DVQLCPQGBQNUOB-MTJSOVHGSA-N -1 0 616.839 5.897 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=O)N(c6ccccc6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408993842 1071562820 /nfs/dbraw/zinc/56/28/20/1071562820.db2.gz XFBRLFNASBSACQ-HZHRSRAPSA-N -1 0 635.683 6.583 40 10 KKCBRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735057 1071563138 /nfs/dbraw/zinc/56/31/38/1071563138.db2.gz NHKFUNFPPQADBX-GBYBJYLOSA-N -1 0 612.708 5.717 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)N(c5ccc(C)c(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993635 1071565369 /nfs/dbraw/zinc/56/53/69/1071565369.db2.gz WLUNQEVUWGUNDF-UDWIEESQSA-N -1 0 574.640 6.038 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1 ZINC000408992048 1071574626 /nfs/dbraw/zinc/57/46/26/1071574626.db2.gz QGZWUGPNPQWING-KGENOOAVSA-N -1 0 540.626 5.742 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408991966 1071576290 /nfs/dbraw/zinc/57/62/90/1071576290.db2.gz PJJMEXHHELBFID-YDZHTSKRSA-N -1 0 700.223 7.710 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=O)N(c6ccc(C)cc6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408991635 1071578648 /nfs/dbraw/zinc/57/86/48/1071578648.db2.gz OPTJTUJEEAVHFC-BUVRLJJBSA-N -1 0 649.710 6.891 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1C ZINC000408991732 1071579099 /nfs/dbraw/zinc/57/90/99/1071579099.db2.gz PCBVWICEIKNSSL-ZVHZXABRSA-N -1 0 700.223 7.710 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408991697 1071579169 /nfs/dbraw/zinc/57/91/69/1071579169.db2.gz QYDRVWDHGQGGCO-MTJSOVHGSA-N -1 0 574.258 6.564 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408991467 1071579470 /nfs/dbraw/zinc/57/94/70/1071579470.db2.gz OHIPHKIMDVCHDQ-LPYMAVHISA-N -1 0 686.196 7.401 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408990641 1071587760 /nfs/dbraw/zinc/58/77/60/1071587760.db2.gz XUSFMBCWHRZGJU-WSVATBPTSA-N -1 0 624.702 6.972 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=S)N(c5ccc(C)c(C)c5)C4=O)o3)sc2c1 ZINC000408990713 1071588209 /nfs/dbraw/zinc/58/82/09/1071588209.db2.gz LMRGMAUUOIHPNU-XDHOZWIPSA-N -1 0 535.672 5.887 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408990355 1071590049 /nfs/dbraw/zinc/59/00/49/1071590049.db2.gz KTUGXRJHXNEUJU-OEAKJJBVSA-N -1 0 661.677 6.131 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1Cl ZINC000408990359 1071590195 /nfs/dbraw/zinc/59/01/95/1071590195.db2.gz KUBJODFUVUABOZ-WSDLNYQXSA-N -1 0 712.190 6.949 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000408989949 1071594219 /nfs/dbraw/zinc/59/42/19/1071594219.db2.gz VRYCVJIBDWAMRZ-HAHDFKILSA-N -1 0 505.368 5.257 40 10 KKCBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)[N-]C(=S)N(c6cccc(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408989769 1071594872 /nfs/dbraw/zinc/59/48/72/1071594872.db2.gz IVSROMKJUVLFRC-BUVRLJJBSA-N -1 0 665.778 7.056 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408989660 1071596119 /nfs/dbraw/zinc/59/61/19/1071596119.db2.gz UWWAYJSZWQLTEZ-GRSHGNNSSA-N -1 0 559.833 6.599 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 ZINC000408989207 1071598625 /nfs/dbraw/zinc/59/86/25/1071598625.db2.gz SNCMXDXQKHKDHG-JMIUGGIZSA-N -1 0 651.284 6.414 40 10 KKCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408989241 1071599062 /nfs/dbraw/zinc/59/90/62/1071599062.db2.gz STVMZDZIURRBRG-NDENLUEZSA-N -1 0 525.388 5.810 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408739808 1071601432 /nfs/dbraw/zinc/60/14/32/1071601432.db2.gz ARLAMHNMLQBEKS-VEILYXNESA-N -1 0 683.425 8.168 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)[N-]C2=S)c1 ZINC000408739626 1071602182 /nfs/dbraw/zinc/60/21/82/1071602182.db2.gz DJLLEIJWFOSHRN-FYJGNVAPSA-N -1 0 537.435 5.258 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408988057 1071608910 /nfs/dbraw/zinc/60/89/10/1071608910.db2.gz QFRCYERINAHHAV-WSVATBPTSA-N -1 0 671.702 6.814 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408744178 1071616118 /nfs/dbraw/zinc/61/61/18/1071616118.db2.gz XHHMRLPKEDEKOX-WPWMEQJKSA-N -1 0 568.680 6.293 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408744074 1071616674 /nfs/dbraw/zinc/61/66/74/1071616674.db2.gz YOXRETMAIYPYPE-GDNBJRDFSA-N -1 0 522.207 5.847 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408743655 1071617825 /nfs/dbraw/zinc/61/78/25/1071617825.db2.gz WTAWFRCBQOGZKX-GIJQJNRQSA-N -1 0 635.106 6.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408996504 1071618099 /nfs/dbraw/zinc/61/80/99/1071618099.db2.gz PSPVYUSETZLBPD-CXUHLZMHSA-N -1 0 734.022 7.535 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408743153 1071618929 /nfs/dbraw/zinc/61/89/29/1071618929.db2.gz UZUSRDHPJQLWGC-CNHKJKLMSA-N -1 0 671.194 6.937 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408742979 1071619464 /nfs/dbraw/zinc/61/94/64/1071619464.db2.gz QWWBPNWWCLEMJE-QQXSKIMKSA-N -1 0 631.508 6.891 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)cc4C)C3=O)c2-c2ccccc2)cc1 ZINC000408742482 1071621118 /nfs/dbraw/zinc/62/11/18/1071621118.db2.gz PDVBKGZCNDZQAM-VAMRJTSQSA-N -1 0 581.672 7.493 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408741486 1071626257 /nfs/dbraw/zinc/62/62/57/1071626257.db2.gz PZLAZBHWQUVESK-YBFXNURJSA-N -1 0 633.236 5.308 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408741092 1071626797 /nfs/dbraw/zinc/62/67/97/1071626797.db2.gz NUQLFTSHWDUMKP-FYJGNVAPSA-N -1 0 556.210 5.457 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408741947 1071622216 /nfs/dbraw/zinc/62/22/16/1071622216.db2.gz OJYBFLVDOOCLGR-MHWRWJLKSA-N -1 0 532.759 5.102 40 10 KKCBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408742173 1071622256 /nfs/dbraw/zinc/62/22/56/1071622256.db2.gz PYRKLQJYXZWMLD-NDENLUEZSA-N -1 0 528.859 5.650 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408742156 1071622334 /nfs/dbraw/zinc/62/23/34/1071622334.db2.gz PSOQWKCCMMWSJK-RGVLZGJSSA-N -1 0 600.263 5.856 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000408741670 1071623751 /nfs/dbraw/zinc/62/37/51/1071623751.db2.gz NCKBNPAUDOQZFM-USHMODERSA-N -1 0 697.452 8.476 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(I)c(C)c4)c3C)C2=O)cc1 ZINC000408741703 1071623817 /nfs/dbraw/zinc/62/38/17/1071623817.db2.gz RQXNICRZNQHYJG-HMAPJEAMSA-N -1 0 569.399 5.072 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408741531 1071624603 /nfs/dbraw/zinc/62/46/03/1071624603.db2.gz JKHYNRWCKCVVGE-YBFXNURJSA-N -1 0 545.817 5.652 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741542 1071624996 /nfs/dbraw/zinc/62/49/96/1071624996.db2.gz MPSRIVNMFSMMHA-UDWIEESQSA-N -1 0 630.358 6.329 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408741254 1071626028 /nfs/dbraw/zinc/62/60/28/1071626028.db2.gz OWWUXXQWYHGENB-AFUMVMLFSA-N -1 0 664.521 6.262 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408741274 1071626202 /nfs/dbraw/zinc/62/62/02/1071626202.db2.gz LDRBSNWLOIETEH-ZDLGFXPLSA-N -1 0 650.776 6.592 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)[N-]C1=S ZINC000408740381 1071630270 /nfs/dbraw/zinc/63/02/70/1071630270.db2.gz FXZSDOUQPXSSRM-VCHYOVAHSA-N -1 0 665.201 6.693 40 10 KKCBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4OC)C3=O)c2-c2ccccc2)cc1 ZINC000408740337 1071630314 /nfs/dbraw/zinc/63/03/14/1071630314.db2.gz BCGIVAQZONVCQY-IADYIPOJSA-N -1 0 583.644 6.885 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[N-]C2=S)c1 ZINC000408740207 1071630752 /nfs/dbraw/zinc/63/07/52/1071630752.db2.gz DUPNHPLXGRBNTR-QFEZKATASA-N -1 0 617.521 6.420 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1 ZINC000408740453 1071630817 /nfs/dbraw/zinc/63/08/17/1071630817.db2.gz KTUNBGGFKFAGBM-USHMODERSA-N -1 0 505.574 5.826 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408740223 1071631412 /nfs/dbraw/zinc/63/14/12/1071631412.db2.gz DZOBTKMTLDCSBY-UDWIEESQSA-N -1 0 582.432 5.085 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408740098 1071632018 /nfs/dbraw/zinc/63/20/18/1071632018.db2.gz DHHGZQBATKXRCK-KEBDBYFISA-N -1 0 606.325 6.565 40 10 KKCBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)[N-]C1=S ZINC000408739967 1071632576 /nfs/dbraw/zinc/63/25/76/1071632576.db2.gz CBZOCPJSWCWRFC-YBFXNURJSA-N -1 0 604.295 6.069 40 10 KKCBRM Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408756605 1071637203 /nfs/dbraw/zinc/63/72/03/1071637203.db2.gz IALVNPCKCGRKLR-KBVAKVRCSA-N -1 0 570.693 6.777 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408755718 1071642763 /nfs/dbraw/zinc/64/27/63/1071642763.db2.gz MMEOPRHLIKLIHM-CIAFOILYSA-N -1 0 675.317 6.315 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409001860 1071642985 /nfs/dbraw/zinc/64/29/85/1071642985.db2.gz XANMVRNKDVLMIM-CXUHLZMHSA-N -1 0 748.049 7.843 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000408755654 1071644413 /nfs/dbraw/zinc/64/44/13/1071644413.db2.gz RSJXQMBCUSLIKD-WOJGMQOQSA-N -1 0 590.308 6.143 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408754824 1071648828 /nfs/dbraw/zinc/64/88/28/1071648828.db2.gz LJXFOYOMOYCTRB-YDZHTSKRSA-N -1 0 650.323 6.927 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408754205 1071652805 /nfs/dbraw/zinc/65/28/05/1071652805.db2.gz JACBECBKZQVCSY-RGVLZGJSSA-N -1 0 587.829 6.194 40 10 KKCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)[N-]C2=S)c1C ZINC000408999494 1071654119 /nfs/dbraw/zinc/65/41/19/1071654119.db2.gz WSLPOPAZKHZKNX-HYARGMPZSA-N -1 0 568.436 5.318 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408998938 1071656383 /nfs/dbraw/zinc/65/63/83/1071656383.db2.gz JNAYANVTBKXDCW-VIZOYTHASA-N -1 0 699.135 6.501 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408998641 1071657815 /nfs/dbraw/zinc/65/78/15/1071657815.db2.gz RRFLFKMXBZYENG-UKTHLTGXSA-N -1 0 538.206 6.167 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408998207 1071660188 /nfs/dbraw/zinc/66/01/88/1071660188.db2.gz UAVUXHPALCBJAX-MDWZMJQESA-N -1 0 724.016 8.079 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408751899 1071667937 /nfs/dbraw/zinc/66/79/37/1071667937.db2.gz ACSSVTZNMQWDDF-YBFXNURJSA-N -1 0 647.263 5.616 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408761100 1071694031 /nfs/dbraw/zinc/69/40/31/1071694031.db2.gz HUCSPQAGAPANBV-HYARGMPZSA-N -1 0 549.421 5.710 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)ccc1Br ZINC000408760939 1071694638 /nfs/dbraw/zinc/69/46/38/1071694638.db2.gz BFEPUTDDZPCONG-GIJQJNRQSA-N -1 0 788.130 6.120 40 10 KKCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000408761144 1071694679 /nfs/dbraw/zinc/69/46/79/1071694679.db2.gz CGZROLLBYPVXNB-HYARGMPZSA-N -1 0 546.396 5.874 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408760879 1071695286 /nfs/dbraw/zinc/69/52/86/1071695286.db2.gz ALLNILISVIBNTN-RGVLZGJSSA-N -1 0 579.403 5.130 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(I)cc3)C2=O)ccc1Br ZINC000408760764 1071696447 /nfs/dbraw/zinc/69/64/47/1071696447.db2.gz FPWNKYOVDPVTAW-UDWIEESQSA-N -1 0 696.133 6.370 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409008792 1071698315 /nfs/dbraw/zinc/69/83/15/1071698315.db2.gz IDFWULFEIZEFNE-LPYMAVHISA-N -1 0 522.468 5.613 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)ccc1Br ZINC000408760187 1071697346 /nfs/dbraw/zinc/69/73/46/1071697346.db2.gz UBRRROJSDSQZSR-VXLYETTFSA-N -1 0 639.127 7.072 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409008919 1071697670 /nfs/dbraw/zinc/69/76/70/1071697670.db2.gz AGVAYNIUSRSMNG-WSDLNYQXSA-N -1 0 508.441 5.305 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408758817 1071704153 /nfs/dbraw/zinc/70/41/53/1071704153.db2.gz RTGAFOYEHLBXJY-BUVRLJJBSA-N -1 0 571.427 6.165 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)ccc1Br ZINC000408760098 1071698531 /nfs/dbraw/zinc/69/85/31/1071698531.db2.gz RMYVURIUFKFIGO-GDNBJRDFSA-N -1 0 520.166 5.991 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409008808 1071698810 /nfs/dbraw/zinc/69/88/10/1071698810.db2.gz IRGIHNIAXHELJR-OGLMXYFKSA-N -1 0 515.638 6.291 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408759951 1071699333 /nfs/dbraw/zinc/69/93/33/1071699333.db2.gz OUXDJCPRDZLBIX-RGVLZGJSSA-N -1 0 632.280 6.303 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)ccc1Br ZINC000408759745 1071700371 /nfs/dbraw/zinc/70/03/71/1071700371.db2.gz KSSIKKOIALQTTL-LPYMAVHISA-N -1 0 532.369 5.566 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408759485 1071700985 /nfs/dbraw/zinc/70/09/85/1071700985.db2.gz FWZONPKAHJTGRH-RGVLZGJSSA-N -1 0 659.287 6.072 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000408759198 1071701966 /nfs/dbraw/zinc/70/19/66/1071701966.db2.gz ZOYMEVAJDUWLBN-XYGWBWBKSA-N -1 0 573.468 6.021 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408759447 1071702057 /nfs/dbraw/zinc/70/20/57/1071702057.db2.gz FFJKAYPYOHQMMJ-RGVLZGJSSA-N -1 0 512.791 5.485 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408758678 1071704523 /nfs/dbraw/zinc/70/45/23/1071704523.db2.gz OZRJTUWFWBCQLA-YBFXNURJSA-N -1 0 632.280 6.303 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)ccc1Br ZINC000408757515 1071712535 /nfs/dbraw/zinc/71/25/35/1071712535.db2.gz YYHYDRWTCLCQQT-WSDLNYQXSA-N -1 0 699.193 7.681 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C2=O)c1 ZINC000408766356 1071714438 /nfs/dbraw/zinc/71/44/38/1071714438.db2.gz CGEUCSDMSRKRED-KEBDBYFISA-N -1 0 757.160 6.521 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408766267 1071720608 /nfs/dbraw/zinc/72/06/08/1071720608.db2.gz BBDKUNUZDPELBF-VCHYOVAHSA-N -1 0 576.230 6.010 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc4ccccc4c3)C2=O)ccc1Br ZINC000408765908 1071721531 /nfs/dbraw/zinc/72/15/31/1071721531.db2.gz ROJRXAGCFDJOMM-BUVRLJJBSA-N -1 0 620.297 6.919 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408767177 1071716302 /nfs/dbraw/zinc/71/63/02/1071716302.db2.gz JQEUVVPMULTESR-WSDLNYQXSA-N -1 0 549.967 5.509 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409021635 1071722642 /nfs/dbraw/zinc/72/26/42/1071722642.db2.gz REKFPEGBGMKCGQ-VEILYXNESA-N -1 0 588.620 6.690 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408765850 1071722762 /nfs/dbraw/zinc/72/27/62/1071722762.db2.gz QWHXSXGEXWFRLQ-RGVLZGJSSA-N -1 0 512.791 5.485 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408765665 1071723324 /nfs/dbraw/zinc/72/33/24/1071723324.db2.gz XBZAALNSERMHLW-ZVHZXABRSA-N -1 0 616.428 5.927 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408765026 1071725633 /nfs/dbraw/zinc/72/56/33/1071725633.db2.gz VYGXRDATGGAISX-RGVLZGJSSA-N -1 0 557.242 5.594 40 10 KKCBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409020751 1071725624 /nfs/dbraw/zinc/72/56/24/1071725624.db2.gz SUKSACGZJBSLDO-WPWMEQJKSA-N -1 0 555.631 5.652 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc5ccccc5c4)c(Br)c3)C2=O)ccc1Br ZINC000408764004 1071729703 /nfs/dbraw/zinc/72/97/03/1071729703.db2.gz HSSXIMVOQQNXRQ-WSDLNYQXSA-N -1 0 654.742 7.572 40 10 KKCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)ccc1Br ZINC000408762490 1071735936 /nfs/dbraw/zinc/73/59/36/1071735936.db2.gz LCLXILNGBVBMCH-REZTVBANSA-N -1 0 718.023 7.835 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408761965 1071737557 /nfs/dbraw/zinc/73/75/57/1071737557.db2.gz IUGCPDPXJMZWAP-YBFXNURJSA-N -1 0 648.735 6.818 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408763016 1071733594 /nfs/dbraw/zinc/73/35/94/1071733594.db2.gz GVDJQNPTRREFAF-YBFXNURJSA-N -1 0 648.735 6.818 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408761903 1071738521 /nfs/dbraw/zinc/73/85/21/1071738521.db2.gz IFPYZZMOIVQUNI-HYARGMPZSA-N -1 0 549.421 5.710 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 ZINC000408776905 1071747587 /nfs/dbraw/zinc/74/75/87/1071747587.db2.gz SGNQWICVIZVITF-VXLYETTFSA-N -1 0 709.234 5.358 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)c1 ZINC000408777023 1071746505 /nfs/dbraw/zinc/74/65/05/1071746505.db2.gz TZWFSKCHQFUZDP-LPYMAVHISA-N -1 0 539.813 5.965 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408777086 1071747075 /nfs/dbraw/zinc/74/70/75/1071747075.db2.gz UYHIYOQXZZKUKN-REZTVBANSA-N -1 0 739.699 7.914 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C2=O)cc1 ZINC000408776219 1071751419 /nfs/dbraw/zinc/75/14/19/1071751419.db2.gz VKMDAJMWWARODF-VCHYOVAHSA-N -1 0 607.231 6.152 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408775788 1071754169 /nfs/dbraw/zinc/75/41/69/1071754169.db2.gz RZNIBPAPFUFYOY-CIAFOILYSA-N -1 0 535.394 5.320 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408775369 1071754562 /nfs/dbraw/zinc/75/45/62/1071754562.db2.gz SLMWAHTVLDTHNG-CVKSISIWSA-N -1 0 595.568 5.986 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408774461 1071761199 /nfs/dbraw/zinc/76/11/99/1071761199.db2.gz XIFJBKOLMKPDIV-ZVHZXABRSA-N -1 0 605.872 6.900 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408774230 1071761661 /nfs/dbraw/zinc/76/16/61/1071761661.db2.gz BHHCAKTVSIMYSH-LICLKQGHSA-N -1 0 561.925 6.199 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(Br)cc3)C2=O)c1 ZINC000408774753 1071759473 /nfs/dbraw/zinc/75/94/73/1071759473.db2.gz CVKYQIRWQNCDEY-HYARGMPZSA-N -1 0 505.368 5.311 40 10 KKCBRM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)sc2=N1 ZINC000409033689 1071767926 /nfs/dbraw/zinc/76/79/26/1071767926.db2.gz OTRNOIYWYBSUDN-MIUGUJGPSA-N -1 0 634.154 5.346 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408773420 1071768230 /nfs/dbraw/zinc/76/82/30/1071768230.db2.gz KRCROFJOZJDSNC-UDWIEESQSA-N -1 0 604.853 5.364 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408773054 1071769372 /nfs/dbraw/zinc/76/93/72/1071769372.db2.gz PICXAMHUYWKTRF-SRZZPIQSSA-N -1 0 614.290 6.082 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408772510 1071773426 /nfs/dbraw/zinc/77/34/26/1071773426.db2.gz MJZCCDXZNOIGHH-CIAFOILYSA-N -1 0 553.384 5.541 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408772232 1071775093 /nfs/dbraw/zinc/77/50/93/1071775093.db2.gz FLSHGUWCHUFSOT-WSDLNYQXSA-N -1 0 628.317 6.473 40 10 KKCBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C(=O)[N-]C2=S)c1 ZINC000408772271 1071775633 /nfs/dbraw/zinc/77/56/33/1071775633.db2.gz GBAWRWQBMAGFKH-HYARGMPZSA-N -1 0 563.701 5.051 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408772268 1071775645 /nfs/dbraw/zinc/77/56/45/1071775645.db2.gz NHRSLZRNHAOGBA-SRZZPIQSSA-N -1 0 525.388 5.864 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408771257 1071782819 /nfs/dbraw/zinc/78/28/19/1071782819.db2.gz DXHKUMWNGRRVRO-SRZZPIQSSA-N -1 0 600.384 5.301 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408770700 1071784493 /nfs/dbraw/zinc/78/44/93/1071784493.db2.gz AVVNHAYZEMJCAB-WOJGMQOQSA-N -1 0 552.883 5.014 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408769676 1071790069 /nfs/dbraw/zinc/79/00/69/1071790069.db2.gz ZASXBUPLLBYYDG-WSDLNYQXSA-N -1 0 583.866 6.363 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000408769625 1071792296 /nfs/dbraw/zinc/79/22/96/1071792296.db2.gz XOXGOHSPPNOFSQ-YBFXNURJSA-N -1 0 618.311 7.017 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408768852 1071797279 /nfs/dbraw/zinc/79/72/79/1071797279.db2.gz KHJXSSOAZJOJSD-LPYMAVHISA-N -1 0 549.421 5.710 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408768723 1071798797 /nfs/dbraw/zinc/79/87/97/1071798797.db2.gz INFJHNNCXIJDPM-GZTJUZNOSA-N -1 0 596.277 5.837 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(I)cc4)c(I)c3)C2=O)cc1 ZINC000408768218 1071801472 /nfs/dbraw/zinc/80/14/72/1071801472.db2.gz CXCPADJMOQBUDP-VXLYETTFSA-N -1 0 790.133 6.054 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408768100 1071802978 /nfs/dbraw/zinc/80/29/78/1071802978.db2.gz SWZSKTKWCZPLJO-LZYBPNLTSA-N -1 0 636.282 6.027 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)c1 ZINC000408767961 1071803996 /nfs/dbraw/zinc/80/39/96/1071803996.db2.gz ATORAIVCMXLDOV-KEBDBYFISA-N -1 0 618.709 6.727 40 10 KKCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4c(Cl)cccc4Cl)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408768000 1071804714 /nfs/dbraw/zinc/80/47/14/1071804714.db2.gz RSPAWAXUDLGAHA-VGOFMYFVSA-N -1 0 717.727 6.523 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408767469 1071810635 /nfs/dbraw/zinc/81/06/35/1071810635.db2.gz KSFHXJWYBUARDG-VXLYETTFSA-N -1 0 620.681 6.119 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C2=O)c1 ZINC000408781890 1071815005 /nfs/dbraw/zinc/81/50/05/1071815005.db2.gz FNJNFMIGCHNZTR-UDWIEESQSA-N -1 0 523.358 5.450 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408781749 1071815557 /nfs/dbraw/zinc/81/55/57/1071815557.db2.gz DNJGTBLFLYZGBU-WOJGMQOQSA-N -1 0 531.830 5.726 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408780336 1071824120 /nfs/dbraw/zinc/82/41/20/1071824120.db2.gz XNCUVSLMHKGMTA-HYARGMPZSA-N -1 0 555.441 5.092 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408780551 1071823527 /nfs/dbraw/zinc/82/35/27/1071823527.db2.gz DIQRFKNOIMHFBD-FRKPEAEDSA-N -1 0 570.643 7.199 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409046688 1071829400 /nfs/dbraw/zinc/82/94/00/1071829400.db2.gz LKSWEGDFPVKVLL-GIJQJNRQSA-N -1 0 606.654 5.816 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408779190 1071830910 /nfs/dbraw/zinc/83/09/10/1071830910.db2.gz SATODIGLSXFQRO-ZVHZXABRSA-N -1 0 526.976 6.056 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408779068 1071831999 /nfs/dbraw/zinc/83/19/99/1071831999.db2.gz QDJMVTGUPPXHRD-CIAFOILYSA-N -1 0 708.290 5.848 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000408778963 1071833333 /nfs/dbraw/zinc/83/33/33/1071833333.db2.gz NRUQJQICATXGNF-UDWIEESQSA-N -1 0 525.439 5.689 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408778747 1071833999 /nfs/dbraw/zinc/83/39/99/1071833999.db2.gz YDRCMWBJGGFMAZ-WGOQTCKBSA-N -1 0 543.982 6.132 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408777674 1071842631 /nfs/dbraw/zinc/84/26/31/1071842631.db2.gz FQJDRWZZDXBPHR-YDZHTSKRSA-N -1 0 610.448 5.861 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(I)c3)C2=O)cc1 ZINC000408777740 1071841458 /nfs/dbraw/zinc/84/14/58/1071841458.db2.gz HOSRTTWYBMYHHQ-YBFXNURJSA-N -1 0 617.237 5.608 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408778376 1071838376 /nfs/dbraw/zinc/83/83/76/1071838376.db2.gz SJWQCVBYMORAMJ-VXLYETTFSA-N -1 0 679.159 6.537 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408778222 1071838857 /nfs/dbraw/zinc/83/88/57/1071838857.db2.gz RFHDJDMWDNUXJU-WSDLNYQXSA-N -1 0 641.418 5.460 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000408777680 1071842529 /nfs/dbraw/zinc/84/25/29/1071842529.db2.gz FVNNJXUZIRDACT-LICLKQGHSA-N -1 0 637.257 6.160 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409045694 1071839477 /nfs/dbraw/zinc/83/94/77/1071839477.db2.gz HDEMRNUPYFOYGK-CAOOACKPSA-N -1 0 643.090 6.903 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408778069 1071839463 /nfs/dbraw/zinc/83/94/63/1071839463.db2.gz ABAGKVIFDXFDNW-UDWIEESQSA-N -1 0 508.933 5.432 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408778037 1071839509 /nfs/dbraw/zinc/83/95/09/1071839509.db2.gz OYISXFIGJKCZAB-YBFXNURJSA-N -1 0 511.361 5.556 40 10 KKCBRM O=C1C(=Cc2cc(Br)cc(Br)c2[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409045074 1071842616 /nfs/dbraw/zinc/84/26/16/1071842616.db2.gz YCHSSLMQVRQDGB-UHFFFAOYSA-N -1 0 542.183 5.501 40 10 KKCBRM CC(C)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409045031 1071842645 /nfs/dbraw/zinc/84/26/45/1071842645.db2.gz XPHSLSCSMWBWLR-WSDLNYQXSA-N -1 0 539.415 6.274 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409045160 1071843976 /nfs/dbraw/zinc/84/39/76/1071843976.db2.gz FSJUFHJGVQSPCB-FRKPEAEDSA-N -1 0 659.545 7.417 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000409045026 1071845527 /nfs/dbraw/zinc/84/55/27/1071845527.db2.gz XMTGSFGHCMAASY-VXLYETTFSA-N -1 0 543.334 5.165 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1Cl ZINC000409044637 1071847038 /nfs/dbraw/zinc/84/70/38/1071847038.db2.gz WGTYHFSUUKHKQR-DJKKODMXSA-N -1 0 594.676 6.963 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409044379 1071849831 /nfs/dbraw/zinc/84/98/31/1071849831.db2.gz BRELSDYBCOCXBT-GIJQJNRQSA-N -1 0 546.750 5.800 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 ZINC000409044413 1071850369 /nfs/dbraw/zinc/85/03/69/1071850369.db2.gz CRPTWLFTFSSVHU-VCHYOVAHSA-N -1 0 638.265 5.093 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409044020 1071851951 /nfs/dbraw/zinc/85/19/51/1071851951.db2.gz GJGALGKXQYAQEK-DJKKODMXSA-N -1 0 625.100 6.764 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1 ZINC000409043925 1071854436 /nfs/dbraw/zinc/85/44/36/1071854436.db2.gz AFIKZYBRUBKOJJ-VCHYOVAHSA-N -1 0 529.807 6.509 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409043978 1071855152 /nfs/dbraw/zinc/85/51/52/1071855152.db2.gz GDJRSVFJVFPZOT-VXLYETTFSA-N -1 0 617.206 5.071 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1C ZINC000408784844 1071862727 /nfs/dbraw/zinc/86/27/27/1071862727.db2.gz VTRGGKXJGMUITN-PCLIKHOPSA-N -1 0 546.117 6.535 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408785579 1071857067 /nfs/dbraw/zinc/85/70/67/1071857067.db2.gz HOYWYFBDNDYWBW-KEBDBYFISA-N -1 0 665.311 6.859 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408785550 1071857306 /nfs/dbraw/zinc/85/73/06/1071857306.db2.gz ZQNNBUNIHAVIOD-YBFXNURJSA-N -1 0 576.749 5.329 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408784877 1071859746 /nfs/dbraw/zinc/85/97/46/1071859746.db2.gz WCDPBGHBNNLBKZ-WSDLNYQXSA-N -1 0 596.264 7.155 40 10 KKCBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409043349 1071859963 /nfs/dbraw/zinc/85/99/63/1071859963.db2.gz QCZPKDTUNCOEGA-VZUCSPMQSA-N -1 0 563.029 5.584 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408785086 1071860151 /nfs/dbraw/zinc/86/01/51/1071860151.db2.gz FVRLTIQGNDTZNQ-MDWZMJQESA-N -1 0 600.720 7.033 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000409043014 1071862529 /nfs/dbraw/zinc/86/25/29/1071862529.db2.gz PCKBRMXYKAZMRY-LICLKQGHSA-N -1 0 515.780 6.201 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000408784152 1071865405 /nfs/dbraw/zinc/86/54/05/1071865405.db2.gz STWFAJJIUUBDRK-XDHOZWIPSA-N -1 0 529.749 5.487 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409042714 1071865557 /nfs/dbraw/zinc/86/55/57/1071865557.db2.gz OJMVDJMOGMDDAB-FRKPEAEDSA-N -1 0 581.195 6.454 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408784259 1071865915 /nfs/dbraw/zinc/86/59/15/1071865915.db2.gz PWNGQVKSJGLBFQ-RGVLZGJSSA-N -1 0 556.358 5.546 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409042567 1071866683 /nfs/dbraw/zinc/86/66/83/1071866683.db2.gz NKPSGZQFGIXKAF-AFUMVMLFSA-N -1 0 696.779 7.689 40 10 KKCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(I)c3)C2=O)c1 ZINC000408783649 1071868832 /nfs/dbraw/zinc/86/88/32/1071868832.db2.gz PPFZDQQQPDQVTJ-KEBDBYFISA-N -1 0 757.160 6.521 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409041676 1071876407 /nfs/dbraw/zinc/87/64/07/1071876407.db2.gz KMIYPODUEROZRR-YDZHTSKRSA-N -1 0 651.267 6.518 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408797158 1071876926 /nfs/dbraw/zinc/87/69/26/1071876926.db2.gz GKOBVYLTONKZOB-MFKUBSTISA-N -1 0 599.481 6.863 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408783244 1071873112 /nfs/dbraw/zinc/87/31/12/1071873112.db2.gz MVEZLQTYEPQMJT-GZTJUZNOSA-N -1 0 623.230 5.852 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000408782826 1071873696 /nfs/dbraw/zinc/87/36/96/1071873696.db2.gz ZITWTNQDVFEQHG-LFVJCYFKSA-N -1 0 546.117 6.535 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1Cl ZINC000409041981 1071873885 /nfs/dbraw/zinc/87/38/85/1071873885.db2.gz LRDYPZCPDAMVBV-DJKKODMXSA-N -1 0 622.672 6.558 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3c(C)ccc4ccccc43)C2=O)c1 ZINC000408795632 1071882462 /nfs/dbraw/zinc/88/24/62/1071882462.db2.gz CPKNPNKVZGUASW-PCLIKHOPSA-N -1 0 555.428 6.465 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000409041178 1071883108 /nfs/dbraw/zinc/88/31/08/1071883108.db2.gz IXSYKSQRHFDJRJ-QGMBQPNBSA-N -1 0 683.136 6.550 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409041151 1071883334 /nfs/dbraw/zinc/88/33/34/1071883334.db2.gz IQDSFESMLFDISV-RQZCQDPDSA-N -1 0 590.199 5.302 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1C ZINC000408796054 1071880468 /nfs/dbraw/zinc/88/04/68/1071880468.db2.gz CZVKOHNQKSOQDK-UDWIEESQSA-N -1 0 550.365 5.220 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409040535 1071888680 /nfs/dbraw/zinc/88/86/80/1071888680.db2.gz GKNGHNFNZZDPOE-YBFXNURJSA-N -1 0 612.864 5.412 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409040623 1071889746 /nfs/dbraw/zinc/88/97/46/1071889746.db2.gz HEKAYUQCGKRFHB-VXLYETTFSA-N -1 0 501.297 5.084 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408791516 1071889795 /nfs/dbraw/zinc/88/97/95/1071889795.db2.gz ZLLPCXFEVWJHOS-YDZHTSKRSA-N -1 0 518.997 5.909 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408791325 1071890467 /nfs/dbraw/zinc/89/04/67/1071890467.db2.gz WADSVTAOXMSBHH-YBFXNURJSA-N -1 0 539.357 5.151 40 10 KKCBRM O=C([O-])c1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000409040293 1071891482 /nfs/dbraw/zinc/89/14/82/1071891482.db2.gz GFCCGHWCLXQUPS-UHFFFAOYSA-N -1 0 518.525 5.547 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C1=O ZINC000408790611 1071892795 /nfs/dbraw/zinc/89/27/95/1071892795.db2.gz SWJYEHFJUABBIG-RCCKNPSSSA-N -1 0 531.634 5.050 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c(Br)cc1OC ZINC000408790267 1071893317 /nfs/dbraw/zinc/89/33/17/1071893317.db2.gz OOBUWISVIQRWGQ-WUXMJOGZSA-N -1 0 547.711 5.195 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409039667 1071896388 /nfs/dbraw/zinc/89/63/88/1071896388.db2.gz CVGRWLNMOUCVKI-VXLYETTFSA-N -1 0 517.752 5.598 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408788230 1071898960 /nfs/dbraw/zinc/89/89/60/1071898960.db2.gz CLNWWXFWDSKQKD-OGLMXYFKSA-N -1 0 584.470 6.410 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408806470 1071903721 /nfs/dbraw/zinc/90/37/21/1071903721.db2.gz DZEVDXIHVGBHQQ-VCHYOVAHSA-N -1 0 637.257 6.242 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1Cl ZINC000408806708 1071903895 /nfs/dbraw/zinc/90/38/95/1071903895.db2.gz BIGOREIJJSYNNX-VXLYETTFSA-N -1 0 560.231 6.310 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408806416 1071904535 /nfs/dbraw/zinc/90/45/35/1071904535.db2.gz MZVJJSXVGZONNI-QGMBQPNBSA-N -1 0 638.729 7.362 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408806423 1071904580 /nfs/dbraw/zinc/90/45/80/1071904580.db2.gz JDOIIKFSGPUUHY-DJKKODMXSA-N -1 0 545.806 6.209 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408806004 1071905129 /nfs/dbraw/zinc/90/51/29/1071905129.db2.gz DPWDXTHGPKLPOD-BUVRLJJBSA-N -1 0 572.371 5.756 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408806974 1071901922 /nfs/dbraw/zinc/90/19/22/1071901922.db2.gz NUPINQFMEMEKMA-ZVHZXABRSA-N -1 0 585.454 6.473 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OCc3cccc4ccccc43)ccc3ccccc32)C1=O ZINC000408806796 1071902505 /nfs/dbraw/zinc/90/25/05/1071902505.db2.gz BURWDARRJDSRLN-TURZUDJPSA-N -1 0 512.565 6.547 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408806667 1071902928 /nfs/dbraw/zinc/90/29/28/1071902928.db2.gz GIIJELJESPYLAG-RQZCQDPDSA-N -1 0 624.702 7.053 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408806894 1071903196 /nfs/dbraw/zinc/90/31/96/1071903196.db2.gz NOCYCJIQKOXLOK-UDWIEESQSA-N -1 0 569.397 5.424 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408805464 1071906345 /nfs/dbraw/zinc/90/63/45/1071906345.db2.gz KHEQDZGGOZJYMK-OEAKJJBVSA-N -1 0 543.373 5.553 40 10 KKCBRM Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408805044 1071907557 /nfs/dbraw/zinc/90/75/57/1071907557.db2.gz CQMWWVDSQWDQRF-MFKUBSTISA-N -1 0 507.502 5.302 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408803248 1071909959 /nfs/dbraw/zinc/90/99/59/1071909959.db2.gz MXZRQAQPOKDDKA-LPYMAVHISA-N -1 0 518.997 5.909 40 10 KKCBRM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Br)cc1C ZINC000408802763 1071911122 /nfs/dbraw/zinc/91/11/22/1071911122.db2.gz HCVHUUZJTDBLOB-SRZZPIQSSA-N -1 0 553.840 6.273 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000409049439 1071912199 /nfs/dbraw/zinc/91/21/99/1071912199.db2.gz WVZHRBFMNLNMAS-CIAFOILYSA-N -1 0 590.257 6.400 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408802146 1071912438 /nfs/dbraw/zinc/91/24/38/1071912438.db2.gz XBHVMNRFKPSILW-SRZZPIQSSA-N -1 0 627.391 5.152 40 10 KKCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408802197 1071912454 /nfs/dbraw/zinc/91/24/54/1071912454.db2.gz YKXNBAGSSKVFDO-WGOQTCKBSA-N -1 0 506.558 5.711 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408802176 1071912499 /nfs/dbraw/zinc/91/24/99/1071912499.db2.gz XLKIPUVICCWHOV-CAOOACKPSA-N -1 0 671.702 6.814 40 10 KKCBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409056505 1071921467 /nfs/dbraw/zinc/92/14/67/1071921467.db2.gz MNVBPVUBYOYIRZ-FYJGNVAPSA-N -1 0 600.263 5.856 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409056340 1071921982 /nfs/dbraw/zinc/92/19/82/1071921982.db2.gz LOTPIOOLVPBUQB-CXUHLZMHSA-N -1 0 608.645 6.250 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409055909 1071924646 /nfs/dbraw/zinc/92/46/46/1071924646.db2.gz KDFRBKMTCIYGOA-YDZHTSKRSA-N -1 0 535.358 6.531 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2)C1=O ZINC000409053865 1071937045 /nfs/dbraw/zinc/93/70/45/1071937045.db2.gz DBRZIIMOPCLDCR-VXLYETTFSA-N -1 0 515.780 6.201 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409049810 1071962751 /nfs/dbraw/zinc/96/27/51/1071962751.db2.gz XOZZAKCPLVAYLE-YBFXNURJSA-N -1 0 699.171 5.717 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409049398 1071965156 /nfs/dbraw/zinc/96/51/56/1071965156.db2.gz WOQZASZIBZIGQB-VCHYOVAHSA-N -1 0 625.100 6.764 40 10 KKCBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409049159 1071965683 /nfs/dbraw/zinc/96/56/83/1071965683.db2.gz VDWGAUHUCZGVRF-GZTJUZNOSA-N -1 0 565.818 5.389 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409049181 1071966146 /nfs/dbraw/zinc/96/61/46/1071966146.db2.gz VLHDROCBWVMASA-STBIYBPSSA-N -1 0 712.394 8.189 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409048330 1071972713 /nfs/dbraw/zinc/97/27/13/1071972713.db2.gz SMXSPEBPEFKQGV-VXLYETTFSA-N -1 0 590.199 5.302 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409048388 1071970484 /nfs/dbraw/zinc/97/04/84/1071970484.db2.gz OKGXMPLPKXHPPX-VXLYETTFSA-N -1 0 606.654 5.816 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)C1=O ZINC000409047576 1071978825 /nfs/dbraw/zinc/97/88/25/1071978825.db2.gz ONHXBWOWYNXIDS-VCHYOVAHSA-N -1 0 639.127 7.072 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000409048060 1071975655 /nfs/dbraw/zinc/97/56/55/1071975655.db2.gz QTWTYFKUAYJRFF-VXLYETTFSA-N -1 0 576.230 6.010 40 10 KKCBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409047675 1071977182 /nfs/dbraw/zinc/97/71/82/1071977182.db2.gz PQYDGCABJRIDJS-WSDLNYQXSA-N -1 0 509.389 6.164 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409059194 1071981593 /nfs/dbraw/zinc/98/15/93/1071981593.db2.gz VGDDUDPAGSZPNZ-QGMBQPNBSA-N -1 0 581.195 6.454 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409057492 1071992283 /nfs/dbraw/zinc/99/22/83/1071992283.db2.gz PGKYPCIYWCDYKK-GIJQJNRQSA-N -1 0 530.295 5.286 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065170 1071996496 /nfs/dbraw/zinc/99/64/96/1071996496.db2.gz IAEARDNLUWTUBF-WOJGMQOQSA-N -1 0 654.322 5.897 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409065931 1072005121 /nfs/dbraw/zinc/00/51/21/1072005121.db2.gz JKYGJDOTXNWVJG-LDADJPATSA-N -1 0 666.877 5.086 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409065613 1072009564 /nfs/dbraw/zinc/00/95/64/1072009564.db2.gz IBMKBEJKPGYDLA-UHFFFAOYSA-N -1 0 587.415 6.854 40 10 KKCBRM CC(C)(C)[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409064519 1072014730 /nfs/dbraw/zinc/01/47/30/1072014730.db2.gz CTAYKZMYRMPZNY-MRXNPFEDSA-N -1 0 503.089 6.606 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074409 1072039899 /nfs/dbraw/zinc/03/98/99/1072039899.db2.gz QYBLTVXBBYXZPZ-WGOQTCKBSA-N -1 0 711.974 6.514 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076880 1072044884 /nfs/dbraw/zinc/04/48/84/1072044884.db2.gz CMXMNWIRDNWQSR-OQLLNIDSSA-N -1 0 678.779 5.618 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409076067 1072055192 /nfs/dbraw/zinc/05/51/92/1072055192.db2.gz XJDRMJFEDGDIFS-YDZHTSKRSA-N -1 0 629.327 7.953 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409076287 1072051781 /nfs/dbraw/zinc/05/17/81/1072051781.db2.gz AHGUJGYPUXAUNN-DSDJNCIMSA-N -1 0 578.506 5.505 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076246 1072054275 /nfs/dbraw/zinc/05/42/75/1072054275.db2.gz AGHICKHKRLCKOZ-YDZHTSKRSA-N -1 0 667.980 7.313 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCC ZINC000409076037 1072054777 /nfs/dbraw/zinc/05/47/77/1072054777.db2.gz WUIJRZQJAYZRFU-XYOKQWHBSA-N -1 0 528.186 5.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075357 1072061611 /nfs/dbraw/zinc/06/16/11/1072061611.db2.gz XISZNBIVGNFQHM-GZTJUZNOSA-N -1 0 595.844 5.480 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074678 1072066149 /nfs/dbraw/zinc/06/61/49/1072066149.db2.gz UPCVRWRCUBUTNS-CPNJWEJPSA-N -1 0 575.426 5.135 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074041 1072071204 /nfs/dbraw/zinc/07/12/04/1072071204.db2.gz JQMFAZJPSOJWPV-VCHYOVAHSA-N -1 0 630.687 5.843 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409071299 1072090775 /nfs/dbraw/zinc/09/07/75/1072090775.db2.gz QKODNILZLFDTPL-RQZCQDPDSA-N -1 0 675.138 5.953 40 10 KKCBRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409071854 1072087150 /nfs/dbraw/zinc/08/71/50/1072087150.db2.gz LUDWPGIZFLQRJN-UHFFFAOYSA-N -1 0 676.317 7.072 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071431 1072089790 /nfs/dbraw/zinc/08/97/90/1072089790.db2.gz OGZXJAJTXHHYQX-RGVLZGJSSA-N -1 0 575.426 5.053 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409069519 1072103211 /nfs/dbraw/zinc/10/32/11/1072103211.db2.gz DFNJSKDQSAGQKR-WOJGMQOQSA-N -1 0 640.693 5.299 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068964 1072108247 /nfs/dbraw/zinc/10/82/47/1072108247.db2.gz SZSZQFLRNSFUSL-VCHYOVAHSA-N -1 0 626.268 5.199 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409068405 1072110670 /nfs/dbraw/zinc/11/06/70/1072110670.db2.gz GDQGXIDELSCJMH-CXUHLZMHSA-N -1 0 673.268 5.041 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067400 1072117485 /nfs/dbraw/zinc/11/74/85/1072117485.db2.gz CUOUUBBQXOYUAY-WGOQTCKBSA-N -1 0 667.523 6.405 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409080898 1072119243 /nfs/dbraw/zinc/11/92/43/1072119243.db2.gz OJPOHEZDJRRMMA-SXGWCWSVSA-N -1 0 543.275 5.269 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079948 1072127492 /nfs/dbraw/zinc/12/74/92/1072127492.db2.gz KIEOOFILZCZILC-LZYBPNLTSA-N -1 0 671.297 5.825 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079224 1072135834 /nfs/dbraw/zinc/13/58/34/1072135834.db2.gz IYHHNJFXOXXFBY-LICLKQGHSA-N -1 0 575.883 6.124 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409079253 1072136383 /nfs/dbraw/zinc/13/63/83/1072136383.db2.gz FCXKVRNLFIUYDY-CXUHLZMHSA-N -1 0 610.726 6.488 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409078789 1072140851 /nfs/dbraw/zinc/14/08/51/1072140851.db2.gz JKDMDVJLYLSZEM-GIDUJCDVSA-N -1 0 611.272 6.287 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409077880 1072149709 /nfs/dbraw/zinc/14/97/09/1072149709.db2.gz AXPZNMBNAPMBSL-RQZCQDPDSA-N -1 0 685.203 6.606 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409077581 1072155663 /nfs/dbraw/zinc/15/56/63/1072155663.db2.gz GCDHPPXXWCEZIT-GZTJUZNOSA-N -1 0 565.818 5.389 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086679 1072162764 /nfs/dbraw/zinc/16/27/64/1072162764.db2.gz AJWOMZAYYLSFBF-VCHYOVAHSA-N -1 0 552.883 5.014 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086086 1072169861 /nfs/dbraw/zinc/16/98/61/1072169861.db2.gz QCQKUBZRBGOMCF-RIYZIHGNSA-N -1 0 687.752 6.339 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086408 1072166977 /nfs/dbraw/zinc/16/69/77/1072166977.db2.gz DQTFCDWVNWUNPY-WOJGMQOQSA-N -1 0 559.428 5.610 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409086190 1072170973 /nfs/dbraw/zinc/17/09/73/1072170973.db2.gz GIZAQSQLXJQBAX-SRZZPIQSSA-N -1 0 635.355 6.903 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C ZINC000409085175 1072182746 /nfs/dbraw/zinc/18/27/46/1072182746.db2.gz RMFVVMJGWOTWDG-YBFXNURJSA-N -1 0 604.335 6.452 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082965 1072206689 /nfs/dbraw/zinc/20/66/89/1072206689.db2.gz UCQXTVQJLICFMZ-YDZHTSKRSA-N -1 0 644.980 6.203 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409082327 1072212801 /nfs/dbraw/zinc/21/28/01/1072212801.db2.gz SGEQMKGRVCAEIB-WOJGMQOQSA-N -1 0 589.866 5.512 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409081687 1072219471 /nfs/dbraw/zinc/21/94/71/1072219471.db2.gz QDLBCKPFYANWMP-YBFXNURJSA-N -1 0 581.817 5.090 40 10 KKCBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409095531 1072240134 /nfs/dbraw/zinc/24/01/34/1072240134.db2.gz IFLJKDNNXBLZSM-CIAFOILYSA-N -1 0 603.459 5.983 40 10 KKCBRM COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N([N-]C(=O)c2cccs2)C1=O ZINC000409327286 1072241028 /nfs/dbraw/zinc/24/10/28/1072241028.db2.gz IWIIIHOZOWVVKJ-SSDVNMTOSA-N -1 0 510.706 5.771 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S ZINC000409092810 1072258805 /nfs/dbraw/zinc/25/88/05/1072258805.db2.gz ZGARBAMFOZGKSB-XNTDXEJSSA-N -1 0 502.335 5.301 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092892 1072259393 /nfs/dbraw/zinc/25/93/93/1072259393.db2.gz WOVSZRRQXAHGGI-OVCLIPMQSA-N -1 0 701.779 6.647 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409092152 1072265798 /nfs/dbraw/zinc/26/57/98/1072265798.db2.gz VSPHOQODOGTYEE-CXUHLZMHSA-N -1 0 576.827 5.634 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092009 1072267090 /nfs/dbraw/zinc/26/70/90/1072267090.db2.gz SFTYHBYCRYUCSK-LICLKQGHSA-N -1 0 606.307 5.843 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409088705 1072295307 /nfs/dbraw/zinc/29/53/07/1072295307.db2.gz GPGBNECCIUGFDT-FRKPEAEDSA-N -1 0 614.747 7.341 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409087955 1072301621 /nfs/dbraw/zinc/30/16/21/1072301621.db2.gz VFQVPJJLQMGVOW-RQZCQDPDSA-N -1 0 662.203 5.495 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1C ZINC000409088092 1072302936 /nfs/dbraw/zinc/30/29/36/1072302936.db2.gz FEVHHFDNFPXXDS-VCHYOVAHSA-N -1 0 581.335 5.341 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087845 1072303354 /nfs/dbraw/zinc/30/33/54/1072303354.db2.gz ZYRSVHPFEDEQNZ-CAOOACKPSA-N -1 0 715.806 7.037 40 10 KKCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)c1 ZINC000409098265 1072333298 /nfs/dbraw/zinc/33/32/98/1072333298.db2.gz KVGHFKDRMVAKHT-CIAFOILYSA-N -1 0 526.433 6.132 40 10 KKCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S ZINC000409103797 1072358793 /nfs/dbraw/zinc/35/87/93/1072358793.db2.gz ZAAZWAKQIABCRP-LICLKQGHSA-N -1 0 512.834 5.357 40 10 KKCBRM O=C(NCc1ccccc1)c1c([N-]S(=O)(=O)c2cccc3cccc(Cl)c32)sc2c1CCCC2 ZINC000409116530 1072373539 /nfs/dbraw/zinc/37/35/39/1072373539.db2.gz VKVQNANZUIKSTE-UHFFFAOYSA-N -1 0 511.068 6.164 40 10 KKCBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1C ZINC000409108024 1072410052 /nfs/dbraw/zinc/41/00/52/1072410052.db2.gz VAKZEHPBCCOMFK-LDADJPATSA-N -1 0 526.376 5.162 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC(C)C ZINC000409107411 1072414278 /nfs/dbraw/zinc/41/42/78/1072414278.db2.gz PLHUDZFCLXJSDN-OQLLNIDSSA-N -1 0 537.863 5.428 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S)c1cccs1 ZINC000409346045 1072419745 /nfs/dbraw/zinc/41/97/45/1072419745.db2.gz MLJZEHAGYRXBLY-VXLYETTFSA-N -1 0 521.472 6.180 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S)c1cccs1 ZINC000409344456 1072433378 /nfs/dbraw/zinc/43/33/78/1072433378.db2.gz JJTNGMFTCBSUQU-WOJGMQOQSA-N -1 0 704.374 6.083 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409126979 1072448136 /nfs/dbraw/zinc/44/81/36/1072448136.db2.gz CCEKINLBBIYSRN-MTDXEUNCSA-N -1 0 594.664 6.277 40 10 KKCBRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000409342542 1072448677 /nfs/dbraw/zinc/44/86/77/1072448677.db2.gz DTZHYFOHPNZUGQ-GIDUJCDVSA-N -1 0 563.676 5.734 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409126840 1072449730 /nfs/dbraw/zinc/44/97/30/1072449730.db2.gz CGHSMKTUNIETLK-LPYMAVHISA-N -1 0 552.986 5.518 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409341411 1072457227 /nfs/dbraw/zinc/45/72/27/1072457227.db2.gz BMQKCWALNAISND-UDWIEESQSA-N -1 0 656.976 6.530 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409125176 1072462909 /nfs/dbraw/zinc/46/29/09/1072462909.db2.gz DGYNKDBKNRGYIX-OEAKJJBVSA-N -1 0 543.048 5.382 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409125021 1072463922 /nfs/dbraw/zinc/46/39/22/1072463922.db2.gz IRXCSJDKFXUSAA-FYJGNVAPSA-N -1 0 653.924 5.874 40 10 KKCBRM Cc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409339946 1072472270 /nfs/dbraw/zinc/47/22/70/1072472270.db2.gz NDRKKQGPWVRKNH-ZDLGFXPLSA-N -1 0 507.584 5.721 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409136660 1072477080 /nfs/dbraw/zinc/47/70/80/1072477080.db2.gz YCGDNMXQGQZRSY-FYJGNVAPSA-N -1 0 619.479 5.221 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409136665 1072477115 /nfs/dbraw/zinc/47/71/15/1072477115.db2.gz SQKBQXNTSVJKHS-LPYMAVHISA-N -1 0 737.239 7.013 40 10 KKCBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409338831 1072481371 /nfs/dbraw/zinc/48/13/71/1072481371.db2.gz BVJUDBOYEOAIPO-KEBDBYFISA-N -1 0 691.421 7.183 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1OC ZINC000409135409 1072484151 /nfs/dbraw/zinc/48/41/51/1072484151.db2.gz VEVQQZNPYOZBMY-FYJGNVAPSA-N -1 0 587.431 6.171 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409135460 1072484856 /nfs/dbraw/zinc/48/48/56/1072484856.db2.gz RCXWXAMUAFCDQX-FYJGNVAPSA-N -1 0 692.788 6.903 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409135324 1072485292 /nfs/dbraw/zinc/48/52/92/1072485292.db2.gz YJTVQIUBGYXPKX-LPYMAVHISA-N -1 0 579.993 5.287 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409337717 1072492778 /nfs/dbraw/zinc/49/27/78/1072492778.db2.gz YYCGBEDHUVRGLH-RCRQRPLWSA-N -1 0 667.725 6.010 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133740 1072497024 /nfs/dbraw/zinc/49/70/24/1072497024.db2.gz REPHZQVBZQVQRM-PCLIKHOPSA-N -1 0 558.631 5.432 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OC ZINC000409142614 1072546350 /nfs/dbraw/zinc/54/63/50/1072546350.db2.gz LYZHLIQUBZKMSW-AFUMVMLFSA-N -1 0 708.403 7.403 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409349665 1072548373 /nfs/dbraw/zinc/54/83/73/1072548373.db2.gz QKHSXMHGZOXADX-XDHOZWIPSA-N -1 0 531.478 5.636 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409141174 1072554904 /nfs/dbraw/zinc/55/49/04/1072554904.db2.gz HRUTXNFGIUVQNV-CVKSISIWSA-N -1 0 659.533 6.649 40 10 KKCBRM O=C([N-]N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409347896 1072560663 /nfs/dbraw/zinc/56/06/63/1072560663.db2.gz NKYIBVMISDVOIJ-ODLFYWEKSA-N -1 0 549.468 5.775 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OC ZINC000409140108 1072561010 /nfs/dbraw/zinc/56/10/10/1072561010.db2.gz CWBLMEWAUOKLJT-WSDLNYQXSA-N -1 0 674.463 5.477 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409366132 1072575355 /nfs/dbraw/zinc/57/53/55/1072575355.db2.gz YFINOJDBOLSIQX-YUMHPJSZSA-N -1 0 735.506 6.092 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409366040 1072576268 /nfs/dbraw/zinc/57/62/68/1072576268.db2.gz XNFHHCWWTXURFZ-ODLFYWEKSA-N -1 0 572.376 5.215 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409147134 1072577205 /nfs/dbraw/zinc/57/72/05/1072577205.db2.gz UYSAOFZHGPXJFB-WSDLNYQXSA-N -1 0 599.467 6.040 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000409364405 1072584517 /nfs/dbraw/zinc/58/45/17/1072584517.db2.gz PKMGVDAFTNNUFO-UNOMPAQXSA-N -1 0 586.801 5.234 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409364382 1072584618 /nfs/dbraw/zinc/58/46/18/1072584618.db2.gz PINUYXNNXKYHIW-YUMHPJSZSA-N -1 0 688.506 6.250 40 10 KKCBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)o1 ZINC000409144941 1072590196 /nfs/dbraw/zinc/59/01/96/1072590196.db2.gz LTUQMHIVEFHQEA-YVNNLAQVSA-N -1 0 522.648 5.402 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OCC ZINC000409361870 1072597251 /nfs/dbraw/zinc/59/72/51/1072597251.db2.gz DOMQOSUUTWLCNX-HZHRSRAPSA-N -1 0 596.011 5.351 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409361751 1072598503 /nfs/dbraw/zinc/59/85/03/1072598503.db2.gz DDUMZIWLWCGWSV-KEBDBYFISA-N -1 0 572.376 5.215 40 10 KKCBRM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl ZINC000409153999 1072608250 /nfs/dbraw/zinc/60/82/50/1072608250.db2.gz JKXZHMIAHHGLRL-UUYOSTAYSA-N -1 0 603.436 6.193 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409375477 1072623669 /nfs/dbraw/zinc/62/36/69/1072623669.db2.gz LKWSXSCDIKZJHJ-DIBXZPPDSA-N -1 0 621.646 5.357 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409377204 1072625434 /nfs/dbraw/zinc/62/54/34/1072625434.db2.gz FQLLCXCUKYSUIA-CIAFOILYSA-N -1 0 598.837 5.103 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409376513 1072628942 /nfs/dbraw/zinc/62/89/42/1072628942.db2.gz BMHFWELIDUNLAP-UDWIEESQSA-N -1 0 508.987 5.049 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409376209 1072629986 /nfs/dbraw/zinc/62/99/86/1072629986.db2.gz VZFKDPVNXIRNCD-FYJGNVAPSA-N -1 0 647.332 6.026 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)cc1 ZINC000409375391 1072632786 /nfs/dbraw/zinc/63/27/86/1072632786.db2.gz KCIIPWPCSSYQEZ-KEBDBYFISA-N -1 0 584.412 5.003 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409372489 1072645996 /nfs/dbraw/zinc/64/59/96/1072645996.db2.gz ZLJHGZZJNQCUDN-ITYLOYPMSA-N -1 0 609.610 5.487 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409370466 1072653515 /nfs/dbraw/zinc/65/35/15/1072653515.db2.gz RIBIXJNLFFRUQQ-HZHRSRAPSA-N -1 0 504.583 5.197 40 10 KKCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000409369916 1072656316 /nfs/dbraw/zinc/65/63/16/1072656316.db2.gz HNKAODONGDEBMK-VCHYOVAHSA-N -1 0 534.402 5.890 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409379316 1072671044 /nfs/dbraw/zinc/67/10/44/1072671044.db2.gz WSGUQJTZHXSSQN-WGOQTCKBSA-N -1 0 662.549 6.816 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC(=O)Nc4ccc(C)cc4)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409379125 1072671430 /nfs/dbraw/zinc/67/14/30/1072671430.db2.gz UMPZCBINGACRAD-LPYMAVHISA-N -1 0 608.514 5.177 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409378937 1072671995 /nfs/dbraw/zinc/67/19/95/1072671995.db2.gz SPXXMSJERMSQQQ-RDRPBHBLSA-N -1 0 570.114 6.720 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000409378450 1072676207 /nfs/dbraw/zinc/67/62/07/1072676207.db2.gz PHGYENHSNPNYQR-GRSHGNNSSA-N -1 0 618.857 5.738 40 10 KKCBRM COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409161499 1072677233 /nfs/dbraw/zinc/67/72/33/1072677233.db2.gz YEGCVFQIPPOLRP-KEBDBYFISA-N -1 0 575.382 5.413 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409378063 1072677299 /nfs/dbraw/zinc/67/72/99/1072677299.db2.gz MZNFXMKRBDWRSU-VULFUBBASA-N -1 0 628.100 6.631 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4C)C3=O)c2)cc1C ZINC000409386553 1072685622 /nfs/dbraw/zinc/68/56/22/1072685622.db2.gz MQTJWKSEYPELKY-OEAKJJBVSA-N -1 0 578.488 5.223 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409386539 1072685656 /nfs/dbraw/zinc/68/56/56/1072685656.db2.gz MJGNWFYFGNNNTJ-SRZZPIQSSA-N -1 0 634.379 7.127 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409386220 1072689001 /nfs/dbraw/zinc/68/90/01/1072689001.db2.gz LUQJTRSAWZYDGZ-LPYMAVHISA-N -1 0 608.514 5.177 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)c(Cl)c3)C2=O)cc1OCC ZINC000409385735 1072691648 /nfs/dbraw/zinc/69/16/48/1072691648.db2.gz IJMKADMRHLTDOI-RCCKNPSSSA-N -1 0 608.047 5.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409385745 1072691661 /nfs/dbraw/zinc/69/16/61/1072691661.db2.gz IOEUDNCGGOCWRN-HYARGMPZSA-N -1 0 655.514 5.101 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409385785 1072692074 /nfs/dbraw/zinc/69/20/74/1072692074.db2.gz JBORMABEXMFPJY-HZHRSRAPSA-N -1 0 565.489 5.821 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409384793 1072696273 /nfs/dbraw/zinc/69/62/73/1072696273.db2.gz FRGKUEKQMUDKGH-VUTHCHCSSA-N -1 0 535.669 6.067 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)C1=O ZINC000409384579 1072698474 /nfs/dbraw/zinc/69/84/74/1072698474.db2.gz CVALXMVSVYZHGE-WOJGMQOQSA-N -1 0 542.350 5.125 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1Cl ZINC000409384296 1072700352 /nfs/dbraw/zinc/70/03/52/1072700352.db2.gz CQVXWNRSKOWVMR-WOJGMQOQSA-N -1 0 542.350 5.125 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000409383505 1072701915 /nfs/dbraw/zinc/70/19/15/1072701915.db2.gz ZEFLXYWZMSITSQ-HZHRSRAPSA-N -1 0 504.583 5.197 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409383372 1072702868 /nfs/dbraw/zinc/70/28/68/1072702868.db2.gz WWERKMMETDPKLM-LPYMAVHISA-N -1 0 612.489 5.581 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409382775 1072705135 /nfs/dbraw/zinc/70/51/35/1072705135.db2.gz QWGJXEDYJFWHLI-FYJGNVAPSA-N -1 0 630.479 5.802 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl)Nc1ccccc1F ZINC000409381972 1072709338 /nfs/dbraw/zinc/70/93/38/1072709338.db2.gz JIXWZBJFGAVZHJ-GXDHUFHOSA-N -1 0 578.836 5.635 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409381662 1072710832 /nfs/dbraw/zinc/71/08/32/1072710832.db2.gz IFXZXLZWRMTDCG-LPYMAVHISA-N -1 0 599.934 6.474 40 10 KKCBRM COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)cc1 ZINC000409381374 1072712730 /nfs/dbraw/zinc/71/27/30/1072712730.db2.gz GMWRAJDMWHDRBB-KEBDBYFISA-N -1 0 584.412 5.003 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409381231 1072713483 /nfs/dbraw/zinc/71/34/83/1072713483.db2.gz DTYPWXDAFSNTCA-ZDLGFXPLSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)c2)cc1C ZINC000409380920 1072715416 /nfs/dbraw/zinc/71/54/16/1072715416.db2.gz JXPDPOQZNOKGQD-OEAKJJBVSA-N -1 0 562.420 5.058 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409380720 1072715953 /nfs/dbraw/zinc/71/59/53/1072715953.db2.gz BSOMEZZKLDZWJV-CIAFOILYSA-N -1 0 616.452 5.412 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409380623 1072717250 /nfs/dbraw/zinc/71/72/50/1072717250.db2.gz OPNYSTWQVZEOBM-OEAKJJBVSA-N -1 0 638.073 5.229 40 10 KKCBRM COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409380417 1072717648 /nfs/dbraw/zinc/71/76/48/1072717648.db2.gz MQFDAIVWGBMPQP-PKAZHMFMSA-N -1 0 612.038 5.612 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4F)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409380536 1072718181 /nfs/dbraw/zinc/71/81/81/1072718181.db2.gz NINVZOXDULXMQI-UDWIEESQSA-N -1 0 616.452 5.412 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409380109 1072718707 /nfs/dbraw/zinc/71/87/07/1072718707.db2.gz IDHDLFSDZXOZLI-PXLXIMEGSA-N -1 0 521.038 5.711 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409379531 1072722249 /nfs/dbraw/zinc/72/22/49/1072722249.db2.gz XIHFNYQLVGLNFQ-WQRHYEAKSA-N -1 0 569.442 5.188 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409379490 1072723203 /nfs/dbraw/zinc/72/32/03/1072723203.db2.gz YFABHSQPQQTARX-OEAKJJBVSA-N -1 0 535.065 6.020 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000409389201 1072733817 /nfs/dbraw/zinc/73/38/17/1072733817.db2.gz ZUURAJNIJFQSDY-LICLKQGHSA-N -1 0 647.251 5.043 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409387547 1072742332 /nfs/dbraw/zinc/74/23/32/1072742332.db2.gz RIXURJZSOAUEHQ-FYJGNVAPSA-N -1 0 602.881 5.917 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409400530 1072745747 /nfs/dbraw/zinc/74/57/47/1072745747.db2.gz SNRSRXUBRRXJNQ-ODLFYWEKSA-N -1 0 528.746 5.051 40 10 KKCBRM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OCc2ccc(Br)cc2Br)c1 ZINC000409399823 1072747744 /nfs/dbraw/zinc/74/77/44/1072747744.db2.gz NBZQFEOGAOGTRQ-MTJSOVHGSA-N -1 0 571.269 5.318 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000409399789 1072748158 /nfs/dbraw/zinc/74/81/58/1072748158.db2.gz MJNYKKVWLDWBJX-YVLHZVERSA-N -1 0 518.194 5.796 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(C)cc1 ZINC000409399677 1072748682 /nfs/dbraw/zinc/74/86/82/1072748682.db2.gz LQRXHMCNEVTKKF-MOSHPQCFSA-N -1 0 541.829 5.850 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1F ZINC000409399532 1072749148 /nfs/dbraw/zinc/74/91/48/1072749148.db2.gz JJJOGUITOMTHTO-PDGQHHTCSA-N -1 0 545.792 5.681 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409399086 1072750679 /nfs/dbraw/zinc/75/06/79/1072750679.db2.gz FSWJAFYNQNTUEX-ZDLGFXPLSA-N -1 0 528.746 5.051 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409398752 1072751589 /nfs/dbraw/zinc/75/15/89/1072751589.db2.gz CLNPQBGFRBSGGY-UNOMPAQXSA-N -1 0 633.268 5.228 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1 ZINC000409398844 1072751598 /nfs/dbraw/zinc/75/15/98/1072751598.db2.gz DMVRVPFWTXIVBM-PDGQHHTCSA-N -1 0 513.775 5.152 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1cccc(F)c1 ZINC000409398551 1072752505 /nfs/dbraw/zinc/75/25/05/1072752505.db2.gz BZYALBJQYVETHH-ODLFYWEKSA-N -1 0 501.739 5.282 40 10 KKCBRM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409407146 1072754795 /nfs/dbraw/zinc/75/47/95/1072754795.db2.gz LGBJKVNCMZZKJT-WOJGMQOQSA-N -1 0 548.220 5.805 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409168184 1072756162 /nfs/dbraw/zinc/75/61/62/1072756162.db2.gz LHDDPNYAKFFAJG-YTZAWJCFSA-N -1 0 575.286 7.868 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409168182 1072756266 /nfs/dbraw/zinc/75/62/66/1072756266.db2.gz LHDDPNYAKFFAJG-RHGYRFJNSA-N -1 0 575.286 7.868 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409167690 1072758497 /nfs/dbraw/zinc/75/84/97/1072758497.db2.gz JSEWDGDBJAGSGG-OJLQRUNKSA-N -1 0 609.731 8.522 40 10 KKCBRM COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409167694 1072758583 /nfs/dbraw/zinc/75/85/83/1072758583.db2.gz JSEWDGDBJAGSGG-SRGWNRLKSA-N -1 0 609.731 8.522 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186845 1072761194 /nfs/dbraw/zinc/76/11/94/1072761194.db2.gz IOULFPCIKUNCBW-KEBDBYFISA-N -1 0 651.174 6.384 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186697 1072761325 /nfs/dbraw/zinc/76/13/25/1072761325.db2.gz GOROBLJDRONWHM-KEBDBYFISA-N -1 0 635.106 6.220 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186519 1072761792 /nfs/dbraw/zinc/76/17/92/1072761792.db2.gz DEXDZFWDOQENGP-RGVLZGJSSA-N -1 0 606.723 6.275 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409404036 1072769001 /nfs/dbraw/zinc/76/90/01/1072769001.db2.gz BMRRLBBCSIZTQK-YVLHZVERSA-N -1 0 548.220 5.805 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183913 1072779894 /nfs/dbraw/zinc/77/98/94/1072779894.db2.gz UZFQWKZMMBPFQM-SOXXOOEDSA-N -1 0 638.702 5.702 40 10 KKCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000409400853 1072782898 /nfs/dbraw/zinc/78/28/98/1072782898.db2.gz UPTWXMPZLLHHFA-YVLHZVERSA-N -1 0 565.194 5.638 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409400943 1072783336 /nfs/dbraw/zinc/78/33/36/1072783336.db2.gz WCPJFGDBHDEPDO-YBEGLDIGSA-N -1 0 559.760 5.058 40 10 KKCBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182778 1072787551 /nfs/dbraw/zinc/78/75/51/1072787551.db2.gz NVWVNJSFAOSREW-NFSMCZRPSA-N -1 0 690.605 6.850 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl ZINC000409409779 1072808210 /nfs/dbraw/zinc/80/82/10/1072808210.db2.gz RBRFJZJZVSNTKD-WOJGMQOQSA-N -1 0 532.177 5.437 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000409409475 1072810076 /nfs/dbraw/zinc/81/00/76/1072810076.db2.gz VNJRCINKKHNKTQ-ODLFYWEKSA-N -1 0 558.226 5.261 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409196020 1072833674 /nfs/dbraw/zinc/83/36/74/1072833674.db2.gz YGOGSEGSGQHIMT-OEAKJJBVSA-N -1 0 579.049 5.777 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409191668 1072860733 /nfs/dbraw/zinc/86/07/33/1072860733.db2.gz KHUHLJIKYVQJKV-OEAKJJBVSA-N -1 0 702.517 6.258 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409191758 1072861503 /nfs/dbraw/zinc/86/15/03/1072861503.db2.gz MLCJICBJUHIQAT-BUVRLJJBSA-N -1 0 597.495 6.730 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409191047 1072864608 /nfs/dbraw/zinc/86/46/08/1072864608.db2.gz ZCXPUUGTBVRSDN-LPYMAVHISA-N -1 0 641.490 6.025 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409191091 1072864640 /nfs/dbraw/zinc/86/46/40/1072864640.db2.gz ZTFCZQXSNDASBE-HZHRSRAPSA-N -1 0 549.023 5.769 40 10 KKCBRM COc1cccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409190853 1072867816 /nfs/dbraw/zinc/86/78/16/1072867816.db2.gz WXRQZTYIEIWEAX-USHMODERSA-N -1 0 592.673 6.338 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409189994 1072873264 /nfs/dbraw/zinc/87/32/64/1072873264.db2.gz PKQQGUVANNCIES-OEAKJJBVSA-N -1 0 567.013 5.908 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409189420 1072877096 /nfs/dbraw/zinc/87/70/96/1072877096.db2.gz GJKQCGSMPMMYQT-ZVHZXABRSA-N -1 0 627.521 6.821 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189198 1072877709 /nfs/dbraw/zinc/87/77/09/1072877709.db2.gz FKDDCOWFWWMJGW-BUVRLJJBSA-N -1 0 593.076 6.167 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409189072 1072878964 /nfs/dbraw/zinc/87/89/64/1072878964.db2.gz IDJKKGCMVOTAGH-RGVLZGJSSA-N -1 0 635.106 6.220 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188803 1072881051 /nfs/dbraw/zinc/88/10/51/1072881051.db2.gz GIPODMQRUJEYAY-PCLIKHOPSA-N -1 0 637.527 6.276 40 10 KKCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1OCC ZINC000409187728 1072885096 /nfs/dbraw/zinc/88/50/96/1072885096.db2.gz AZERUTAVINQHSL-ZXVVBBHZSA-N -1 0 599.083 6.922 40 10 KKCBRM CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)NCCCC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)cc1 ZINC000644163889 1072911109 /nfs/dbraw/zinc/91/11/09/1072911109.db2.gz QAOXHLQIVBKYKV-MGBGTMOVSA-N -1 0 655.777 6.609 40 10 KKCBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409200308 1072922834 /nfs/dbraw/zinc/92/28/34/1072922834.db2.gz KPLRDRGSNNBCQG-NDENLUEZSA-N -1 0 622.531 5.795 40 10 KKCBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000409197339 1072936070 /nfs/dbraw/zinc/93/60/70/1072936070.db2.gz CBCCGVAENJVNAX-ODLFYWEKSA-N -1 0 500.395 6.122 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 ZINC000409227182 1072971107 /nfs/dbraw/zinc/97/11/07/1072971107.db2.gz TULWKILETZDLMT-LPYMAVHISA-N -1 0 642.890 5.584 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000409226991 1072971654 /nfs/dbraw/zinc/97/16/54/1072971654.db2.gz WVVCGIMIZAYLCY-HZHRSRAPSA-N -1 0 578.021 5.130 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409226668 1072973113 /nfs/dbraw/zinc/97/31/13/1072973113.db2.gz QTKFLERILNJIBA-DJKKODMXSA-N -1 0 633.282 5.757 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000409226315 1072975046 /nfs/dbraw/zinc/97/50/46/1072975046.db2.gz MVQOMQVHEXGLPN-LPYMAVHISA-N -1 0 505.521 5.540 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409226066 1072976537 /nfs/dbraw/zinc/97/65/37/1072976537.db2.gz RTCCCOXIZVCCJQ-GIJQJNRQSA-N -1 0 712.576 6.311 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409225884 1072976988 /nfs/dbraw/zinc/97/69/88/1072976988.db2.gz SCTPYKMRKOZNIP-HZHRSRAPSA-N -1 0 608.047 5.220 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1C ZINC000409225688 1072977412 /nfs/dbraw/zinc/97/74/12/1072977412.db2.gz QZMZNPONNDGXSQ-KEBDBYFISA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)cc2Br)cc1 ZINC000409225503 1072977858 /nfs/dbraw/zinc/97/78/58/1072977858.db2.gz QIUGKSCGHJEZLP-XDHOZWIPSA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409225301 1072979761 /nfs/dbraw/zinc/97/97/61/1072979761.db2.gz KKSIWLFCPBWPJV-JVWAILMASA-N -1 0 581.654 6.144 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409224836 1072981678 /nfs/dbraw/zinc/98/16/78/1072981678.db2.gz NAHADZHQDULKCO-SRZZPIQSSA-N -1 0 568.413 5.384 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409224746 1072982345 /nfs/dbraw/zinc/98/23/45/1072982345.db2.gz LOEYPIDZMBUDJW-DJKKODMXSA-N -1 0 666.255 5.291 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000409224710 1072982385 /nfs/dbraw/zinc/98/23/85/1072982385.db2.gz NIXNQDVVQFUEIL-VXLYETTFSA-N -1 0 574.804 5.339 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409224098 1072984911 /nfs/dbraw/zinc/98/49/11/1072984911.db2.gz IYVLTTHQWJIENY-GIJQJNRQSA-N -1 0 667.727 6.492 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409223826 1072986292 /nfs/dbraw/zinc/98/62/92/1072986292.db2.gz IRHZFPNFVREJDA-OEAKJJBVSA-N -1 0 713.525 5.480 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409223669 1072986799 /nfs/dbraw/zinc/98/67/99/1072986799.db2.gz GWWCYRBEYIVGQG-RGVLZGJSSA-N -1 0 677.733 5.948 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409222748 1072990705 /nfs/dbraw/zinc/99/07/05/1072990705.db2.gz FANBQCZBRBZTTC-YBFXNURJSA-N -1 0 612.864 5.412 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409222434 1072992720 /nfs/dbraw/zinc/99/27/20/1072992720.db2.gz CZUXJSZWHYIXGU-FYJGNVAPSA-N -1 0 613.262 5.204 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)[N-]C2=S)cc1Cl ZINC000409222391 1072993915 /nfs/dbraw/zinc/99/39/15/1072993915.db2.gz WYBKSUVHGAMYPY-MHWRWJLKSA-N -1 0 502.335 5.301 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409222086 1072996093 /nfs/dbraw/zinc/99/60/93/1072996093.db2.gz ARBBIYHAJAENQI-CAOOACKPSA-N -1 0 609.249 5.993 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409221971 1072996543 /nfs/dbraw/zinc/99/65/43/1072996543.db2.gz CAVBKXLTSLWLAJ-RQZCQDPDSA-N -1 0 623.674 6.093 40 10 KKCBRM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)o2)c(Br)c1 ZINC000409221419 1072998634 /nfs/dbraw/zinc/99/86/34/1072998634.db2.gz PYVVKSYDYDFCTI-PTNGSMBKSA-N -1 0 501.789 5.502 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409220775 1073003377 /nfs/dbraw/zinc/00/33/77/1073003377.db2.gz FOXQZJCPMDPHFZ-RDRPBHBLSA-N -1 0 596.734 7.108 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409220651 1073004517 /nfs/dbraw/zinc/00/45/17/1073004517.db2.gz CSUONFKLBREOKZ-PCLIKHOPSA-N -1 0 576.505 6.811 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409220107 1073005911 /nfs/dbraw/zinc/00/59/11/1073005911.db2.gz YGOMSYGPRPCBSU-HZHRSRAPSA-N -1 0 608.047 5.220 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409219848 1073006848 /nfs/dbraw/zinc/00/68/48/1073006848.db2.gz VOCMCYGKNYQJJZ-UDWIEESQSA-N -1 0 568.413 5.384 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1 ZINC000409219612 1073007712 /nfs/dbraw/zinc/00/77/12/1073007712.db2.gz SFSINDCLLRPXLP-LPYMAVHISA-N -1 0 562.420 5.058 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409219343 1073009041 /nfs/dbraw/zinc/00/90/41/1073009041.db2.gz PSHXVBYSTPCLTH-UDWIEESQSA-N -1 0 633.680 5.549 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409218743 1073012308 /nfs/dbraw/zinc/01/23/08/1073012308.db2.gz GSKLXCZNTFJBBL-CIAFOILYSA-N -1 0 538.387 5.294 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409229239 1073022667 /nfs/dbraw/zinc/02/26/67/1073022667.db2.gz LYAQGFSIGCKCKT-PCLIKHOPSA-N -1 0 522.630 5.235 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409229260 1073022719 /nfs/dbraw/zinc/02/27/19/1073022719.db2.gz MGNVJXYLQXLJHB-ADFUCPMPSA-N -1 0 517.445 5.083 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409229003 1073022865 /nfs/dbraw/zinc/02/28/65/1073022865.db2.gz IIKNLFOSGNHAOD-RGVLZGJSSA-N -1 0 542.886 5.958 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409228928 1073024785 /nfs/dbraw/zinc/02/47/85/1073024785.db2.gz HHNYHPPAJOUDQP-DEDYPNTBSA-N -1 0 508.441 5.305 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409228786 1073025409 /nfs/dbraw/zinc/02/54/09/1073025409.db2.gz FCRFDINETZRRSW-PCLIKHOPSA-N -1 0 515.635 5.226 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409227842 1073029876 /nfs/dbraw/zinc/02/98/76/1073029876.db2.gz RTZBFOIVTYQHRQ-MFKUBSTISA-N -1 0 524.602 5.553 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409236178 1073040054 /nfs/dbraw/zinc/04/00/54/1073040054.db2.gz DSQAHOCFADXTMU-RDRPBHBLSA-N -1 0 567.686 6.767 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OC(C)C ZINC000409235978 1073041886 /nfs/dbraw/zinc/04/18/86/1073041886.db2.gz QYBYWOZMMQGIOS-LZYBPNLTSA-N -1 0 557.388 5.485 40 10 KKCBRM CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000409235323 1073044664 /nfs/dbraw/zinc/04/46/64/1073044664.db2.gz OTIGOQCXNFNJLK-YQYKVWLJSA-N -1 0 612.711 7.674 40 10 KKCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4C)C3=O)cc2)cc1 ZINC000409233189 1073057421 /nfs/dbraw/zinc/05/74/21/1073057421.db2.gz RRQWXXAPOFNSAB-KGENOOAVSA-N -1 0 507.409 5.884 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409232299 1073062261 /nfs/dbraw/zinc/06/22/61/1073062261.db2.gz NTLKHULYGALOPQ-GIJQJNRQSA-N -1 0 538.378 6.251 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409231461 1073066091 /nfs/dbraw/zinc/06/60/91/1073066091.db2.gz KMACNEFLADBTNZ-GXDHUFHOSA-N -1 0 520.166 5.991 40 10 KKCBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c2-c2ccccc2)cc1 ZINC000409230428 1073070651 /nfs/dbraw/zinc/07/06/51/1073070651.db2.gz DBORYIGDYBJJLP-BRPDVVIDSA-N -1 0 582.616 6.049 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409247291 1073071286 /nfs/dbraw/zinc/07/12/86/1073071286.db2.gz MCNRQLBFKDWVPY-JLHYYAGUSA-N -1 0 522.207 5.847 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409246109 1073078319 /nfs/dbraw/zinc/07/83/19/1073078319.db2.gz FBSXRDFZUZLUGU-UDWIEESQSA-N -1 0 518.969 6.341 40 10 KKCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000409244394 1073088660 /nfs/dbraw/zinc/08/86/60/1073088660.db2.gz BWXWVFGDSMYOAD-XSFVSMFZSA-N -1 0 522.399 5.230 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OC(C)C ZINC000409238635 1073118401 /nfs/dbraw/zinc/11/84/01/1073118401.db2.gz LIXODXBPZVETSI-LZYBPNLTSA-N -1 0 512.937 5.376 40 10 KKCBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409238609 1073119916 /nfs/dbraw/zinc/11/99/16/1073119916.db2.gz KLYRGDJVZCEFFN-WIJRQFRKSA-N -1 0 557.388 5.485 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409238190 1073120758 /nfs/dbraw/zinc/12/07/58/1073120758.db2.gz CQNPTKZVGBIIOG-AFUMVMLFSA-N -1 0 608.909 7.608 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409251262 1073129364 /nfs/dbraw/zinc/12/93/64/1073129364.db2.gz PCGFXHCURYGIKA-XDHOZWIPSA-N -1 0 568.413 5.384 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1 ZINC000409250956 1073131844 /nfs/dbraw/zinc/13/18/44/1073131844.db2.gz NXULBTZKHJWJGI-HYARGMPZSA-N -1 0 592.446 5.149 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409249808 1073139635 /nfs/dbraw/zinc/13/96/35/1073139635.db2.gz OWOLIPNUYWHSKP-BUVRLJJBSA-N -1 0 553.600 5.329 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1OCC ZINC000409249532 1073141783 /nfs/dbraw/zinc/14/17/83/1073141783.db2.gz JNEBLIPNFBDSHG-YDZHTSKRSA-N -1 0 729.422 6.700 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409248470 1073148408 /nfs/dbraw/zinc/14/84/08/1073148408.db2.gz DJFJFQDYZLYBRJ-VXLYETTFSA-N -1 0 612.864 5.412 40 10 KKCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409248494 1073148413 /nfs/dbraw/zinc/14/84/13/1073148413.db2.gz KRNDBTUSNYZKJY-UYRXBGFRSA-N -1 0 508.336 5.802 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1Cl ZINC000409248552 1073148837 /nfs/dbraw/zinc/14/88/37/1073148837.db2.gz DSBFCEOXRKLBCU-CNHKJKLMSA-N -1 0 607.277 6.601 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409248052 1073150916 /nfs/dbraw/zinc/15/09/16/1073150916.db2.gz BPXPHPSPOAEJJN-AWQFTUOYSA-N -1 0 708.336 6.297 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1C ZINC000409256683 1073155798 /nfs/dbraw/zinc/15/57/98/1073155798.db2.gz NDBITDYLNVBXIB-ZDLGFXPLSA-N -1 0 661.734 6.166 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409256701 1073156186 /nfs/dbraw/zinc/15/61/86/1073156186.db2.gz OWXSIEDEOPXXMD-XDHOZWIPSA-N -1 0 675.863 5.036 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409255376 1073156679 /nfs/dbraw/zinc/15/66/79/1073156679.db2.gz HMWOTSGTRMCAKA-WQRHYEAKSA-N -1 0 540.428 5.151 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1C ZINC000409257041 1073157765 /nfs/dbraw/zinc/15/77/65/1073157765.db2.gz RDZBAERCMPILMG-GRSHGNNSSA-N -1 0 572.832 5.948 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1OC ZINC000409257121 1073158266 /nfs/dbraw/zinc/15/82/66/1073158266.db2.gz QSRCFPWQSARWSL-MTJSOVHGSA-N -1 0 701.368 6.001 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409257163 1073158627 /nfs/dbraw/zinc/15/86/27/1073158627.db2.gz RGSPFXXEHGARKG-BKUYFWCQSA-N -1 0 608.514 5.313 40 10 KKCBRM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)ccc1Cl ZINC000409256441 1073160167 /nfs/dbraw/zinc/16/01/67/1073160167.db2.gz ORECHTRHBJASRC-AFUMVMLFSA-N -1 0 610.088 6.078 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409256319 1073160943 /nfs/dbraw/zinc/16/09/43/1073160943.db2.gz NPVKADDXFSHPDA-NHDPSOOVSA-N -1 0 733.943 5.743 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000409255166 1073168269 /nfs/dbraw/zinc/16/82/69/1073168269.db2.gz GKKGDWQHCYQQPX-CPNJWEJPSA-N -1 0 554.386 5.076 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1 ZINC000409254747 1073170473 /nfs/dbraw/zinc/17/04/73/1073170473.db2.gz FJSHORZDMWQJKG-NDENLUEZSA-N -1 0 538.387 5.294 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409254651 1073171771 /nfs/dbraw/zinc/17/17/71/1073171771.db2.gz JBVGPIXXMVPLTF-XKZIYDEJSA-N -1 0 612.466 5.783 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409254432 1073172786 /nfs/dbraw/zinc/17/27/86/1073172786.db2.gz DPWADAZIJAYBIB-JJFYIABZSA-N -1 0 596.467 6.001 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1OC ZINC000409254344 1073174176 /nfs/dbraw/zinc/17/41/76/1073174176.db2.gz DLLKEGBHOZUGSS-OYKKKHCWSA-N -1 0 680.552 5.946 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409254159 1073175161 /nfs/dbraw/zinc/17/51/61/1073175161.db2.gz HWHOSOCDBDIAPP-NDENLUEZSA-N -1 0 570.454 5.241 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409254166 1073175294 /nfs/dbraw/zinc/17/52/94/1073175294.db2.gz DKIGCGLSFZEOKP-XKZIYDEJSA-N -1 0 701.368 6.001 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)c1 ZINC000409254149 1073175352 /nfs/dbraw/zinc/17/53/52/1073175352.db2.gz DFKVRBOAOOOIIE-ZDLGFXPLSA-N -1 0 572.832 5.948 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000409253390 1073180717 /nfs/dbraw/zinc/18/07/17/1073180717.db2.gz FXNQAEHLGPSBKM-MOSHPQCFSA-N -1 0 552.414 5.603 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000409253343 1073182088 /nfs/dbraw/zinc/18/20/88/1073182088.db2.gz FPWUPKRGHNLEGU-OEAKJJBVSA-N -1 0 715.395 6.391 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409253096 1073182569 /nfs/dbraw/zinc/18/25/69/1073182569.db2.gz APAOYMKYLAUXRD-BUVRLJJBSA-N -1 0 636.101 5.919 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1OCC ZINC000409252946 1073183493 /nfs/dbraw/zinc/18/34/93/1073183493.db2.gz UNFCGHXUEACGAY-PXLXIMEGSA-N -1 0 592.048 5.520 40 10 KKCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409252998 1073183863 /nfs/dbraw/zinc/18/38/63/1073183863.db2.gz YJFYWHDHIAVWBO-CVKSISIWSA-N -1 0 590.532 7.120 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252673 1073185140 /nfs/dbraw/zinc/18/51/40/1073185140.db2.gz DFMQQWFOUXAYJW-GRSHGNNSSA-N -1 0 602.858 6.038 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409252771 1073186075 /nfs/dbraw/zinc/18/60/75/1073186075.db2.gz DPDWABFBXRETGS-ODLFYWEKSA-N -1 0 673.891 5.562 40 10 KKCBRM CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409252440 1073187928 /nfs/dbraw/zinc/18/79/28/1073187928.db2.gz RWBARZHDDZNFRD-GRSHGNNSSA-N -1 0 555.461 5.086 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409252058 1073188660 /nfs/dbraw/zinc/18/86/60/1073188660.db2.gz RSQOOOFNDYROIN-NVMNQCDNSA-N -1 0 647.309 6.065 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409252278 1073188771 /nfs/dbraw/zinc/18/87/71/1073188771.db2.gz RMZRRSOFJYHMOT-SSDVNMTOSA-N -1 0 626.891 5.802 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409252008 1073190468 /nfs/dbraw/zinc/19/04/68/1073190468.db2.gz BBSNIRMQDCVQFK-MTJSOVHGSA-N -1 0 592.446 5.067 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409251896 1073191419 /nfs/dbraw/zinc/19/14/19/1073191419.db2.gz QWZYKGRAYKJNBG-YBEGLDIGSA-N -1 0 566.311 5.467 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409262976 1073195761 /nfs/dbraw/zinc/19/57/61/1073195761.db2.gz GLRYBSANGFQEEF-GZTJUZNOSA-N -1 0 633.680 5.549 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1C ZINC000409267221 1073197157 /nfs/dbraw/zinc/19/71/57/1073197157.db2.gz MOQYELCGBSXFPG-DICXZTSXSA-N -1 0 644.511 6.873 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266820 1073198406 /nfs/dbraw/zinc/19/84/06/1073198406.db2.gz RPDSDGPKFRICQY-KEBDBYFISA-N -1 0 630.854 5.633 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1OC ZINC000409266861 1073198827 /nfs/dbraw/zinc/19/88/27/1073198827.db2.gz YTTKTDLFQJWCEM-JCMHNJIXSA-N -1 0 578.021 5.130 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409266744 1073199685 /nfs/dbraw/zinc/19/96/85/1073199685.db2.gz KYKLGTYLTZRLGB-ODLFYWEKSA-N -1 0 540.428 5.151 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266736 1073199714 /nfs/dbraw/zinc/19/97/14/1073199714.db2.gz RBFDVYLTVHQHNH-UKWGHVSLSA-N -1 0 657.861 5.402 40 10 KKCBRM O=C([O-])CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000002415130 1073200085 /nfs/dbraw/zinc/20/00/85/1073200085.db2.gz SBQAYXABDAERPW-ZVHZXABRSA-N -1 0 545.617 5.543 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409266781 1073200163 /nfs/dbraw/zinc/20/01/63/1073200163.db2.gz LCBWPYCUSOJYKK-SRZZPIQSSA-N -1 0 640.918 6.110 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409266525 1073200245 /nfs/dbraw/zinc/20/02/45/1073200245.db2.gz ZKVRSIZUHZBWLQ-GRSHGNNSSA-N -1 0 658.259 5.112 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002605352 1073200554 /nfs/dbraw/zinc/20/05/54/1073200554.db2.gz RYXVAXMUXRVZPF-STZFKDTASA-N -1 0 508.430 5.799 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409266247 1073202729 /nfs/dbraw/zinc/20/27/29/1073202729.db2.gz QAVLSRYFMBZBKE-JMIUGGIZSA-N -1 0 658.259 5.112 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409266250 1073202806 /nfs/dbraw/zinc/20/28/06/1073202806.db2.gz PLMHETBXHINSPI-GRSHGNNSSA-N -1 0 678.677 5.457 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000409266284 1073202851 /nfs/dbraw/zinc/20/28/51/1073202851.db2.gz QGCJWEVVNHRSFT-KEBDBYFISA-N -1 0 602.858 6.038 40 10 KKCBRM CCCCOc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OC ZINC000035039091 1073203549 /nfs/dbraw/zinc/20/35/49/1073203549.db2.gz ACZXNMKZPIZKAE-FCDQGJHFSA-N -1 0 507.718 6.671 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409266142 1073203559 /nfs/dbraw/zinc/20/35/59/1073203559.db2.gz OYEPEOQUKIUDIW-GRSHGNNSSA-N -1 0 661.336 6.455 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409265850 1073205223 /nfs/dbraw/zinc/20/52/23/1073205223.db2.gz UOQJXEKWVIKNRE-KEBDBYFISA-N -1 0 673.891 5.562 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1Cl ZINC000409265677 1073205649 /nfs/dbraw/zinc/20/56/49/1073205649.db2.gz NPEPGGCPEWBFST-RGVLZGJSSA-N -1 0 552.414 5.603 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409265100 1073208336 /nfs/dbraw/zinc/20/83/36/1073208336.db2.gz NQTSCZXLTUPVEZ-NHDPSOOVSA-N -1 0 637.443 5.057 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409265128 1073208423 /nfs/dbraw/zinc/20/84/23/1073208423.db2.gz SIGPJTNLUBNTIB-ODLFYWEKSA-N -1 0 598.837 5.103 40 10 KKCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000033925801 1073208462 /nfs/dbraw/zinc/20/84/62/1073208462.db2.gz SUSFWEQZQALULC-HAHDFKILSA-N -1 0 521.564 6.330 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1 ZINC000409264987 1073209649 /nfs/dbraw/zinc/20/96/49/1073209649.db2.gz MCLSOOXRXCRCOK-RGVLZGJSSA-N -1 0 568.413 5.303 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)c1 ZINC000409264676 1073210904 /nfs/dbraw/zinc/21/09/04/1073210904.db2.gz RCQDVIHHHVQUBK-DJKKODMXSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000409264515 1073211712 /nfs/dbraw/zinc/21/17/12/1073211712.db2.gz KQRODXGVMJEXTP-LPYMAVHISA-N -1 0 582.838 5.403 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409264288 1073213556 /nfs/dbraw/zinc/21/35/56/1073213556.db2.gz OKFKPKFAEWMIEQ-MOSHPQCFSA-N -1 0 596.865 5.712 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409263686 1073217036 /nfs/dbraw/zinc/21/70/36/1073217036.db2.gz NRPCJGSFRRSYAF-CEUNXORHSA-N -1 0 619.674 5.965 40 10 KKCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1C ZINC000409263665 1073217077 /nfs/dbraw/zinc/21/70/77/1073217077.db2.gz LYXWGLMMHZQYFS-XKZIYDEJSA-N -1 0 531.996 5.258 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1 ZINC000409263313 1073218111 /nfs/dbraw/zinc/21/81/11/1073218111.db2.gz IOFWBUMBNSKROR-YBFXNURJSA-N -1 0 678.131 5.658 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)c1 ZINC000409263235 1073219304 /nfs/dbraw/zinc/21/93/04/1073219304.db2.gz LUJQVKYAAIYRNS-CEUNXORHSA-N -1 0 575.621 5.566 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409263033 1073219691 /nfs/dbraw/zinc/21/96/91/1073219691.db2.gz JZJFSEHQUHHZJZ-MFOYZWKCSA-N -1 0 588.831 5.648 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OCC)c3)C2=O)cc1 ZINC000409262583 1073220768 /nfs/dbraw/zinc/22/07/68/1073220768.db2.gz IBBHFGWMTMEYOM-ZVHZXABRSA-N -1 0 592.048 5.438 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409262196 1073223163 /nfs/dbraw/zinc/22/31/63/1073223163.db2.gz DEKPRVQHYURWRX-RQZCQDPDSA-N -1 0 619.255 5.448 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409261616 1073226091 /nfs/dbraw/zinc/22/60/91/1073226091.db2.gz FIHAVHNZBSBAGA-LZYBPNLTSA-N -1 0 579.223 5.984 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409261490 1073227286 /nfs/dbraw/zinc/22/72/86/1073227286.db2.gz DGNSXCWTFIBWBA-KEBDBYFISA-N -1 0 647.707 5.857 40 10 KKCBRM Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409261254 1073229631 /nfs/dbraw/zinc/22/96/31/1073229631.db2.gz BLLDNEUTUWOYCD-UYRXBGFRSA-N -1 0 538.387 5.294 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409261029 1073229995 /nfs/dbraw/zinc/22/99/95/1073229995.db2.gz AFOVNVZUFFYMQD-YUMHPJSZSA-N -1 0 719.386 6.783 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409261089 1073230307 /nfs/dbraw/zinc/23/03/07/1073230307.db2.gz BANSMXBPVSVCSM-NVMNQCDNSA-N -1 0 602.858 5.956 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409260787 1073232267 /nfs/dbraw/zinc/23/22/67/1073232267.db2.gz WJJIRWVKDNIZDL-ODLFYWEKSA-N -1 0 659.864 5.254 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409260585 1073233065 /nfs/dbraw/zinc/23/30/65/1073233065.db2.gz SKTUXPCOKXNGPC-DJKKODMXSA-N -1 0 682.152 6.511 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409259953 1073236195 /nfs/dbraw/zinc/23/61/95/1073236195.db2.gz IHRLAWXWHWBMQH-RGVLZGJSSA-N -1 0 647.707 5.857 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1 ZINC000409259998 1073236601 /nfs/dbraw/zinc/23/66/01/1073236601.db2.gz IXXMHQJMNOKHIX-OEAKJJBVSA-N -1 0 636.499 5.547 40 10 KKCBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1C ZINC000409259829 1073237049 /nfs/dbraw/zinc/23/70/49/1073237049.db2.gz GDEHAVCMGZQSTG-SRZZPIQSSA-N -1 0 538.387 5.294 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409259665 1073237845 /nfs/dbraw/zinc/23/78/45/1073237845.db2.gz CDYSCDXRJSWVBY-LPYMAVHISA-N -1 0 547.995 5.039 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl ZINC000409259707 1073237869 /nfs/dbraw/zinc/23/78/69/1073237869.db2.gz CYIPAEAASQTRJV-SXGWCWSVSA-N -1 0 714.727 6.334 40 10 KKCBRM Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409259588 1073239091 /nfs/dbraw/zinc/23/90/91/1073239091.db2.gz BBGNOZZXCFUDOK-VXLYETTFSA-N -1 0 661.734 6.166 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000409259431 1073239765 /nfs/dbraw/zinc/23/97/65/1073239765.db2.gz ZNEYJSTUMCTITM-UFWORHAWSA-N -1 0 696.179 6.819 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1C ZINC000409259246 1073240123 /nfs/dbraw/zinc/24/01/23/1073240123.db2.gz XQTOTDAFCZYTMD-NHDPSOOVSA-N -1 0 643.288 5.218 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Br)cc1Cl ZINC000409258743 1073244284 /nfs/dbraw/zinc/24/42/84/1073244284.db2.gz ZYURHQOGUXLXRT-CNHKJKLMSA-N -1 0 696.179 6.819 40 10 KKCBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 ZINC000409258183 1073248396 /nfs/dbraw/zinc/24/83/96/1073248396.db2.gz WVJQYILAHLEYDD-NHDPSOOVSA-N -1 0 685.325 5.299 40 10 KKCBRM O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409272697 1073252972 /nfs/dbraw/zinc/25/29/72/1073252972.db2.gz RQQOZRAESNBOCH-SXGWCWSVSA-N -1 0 589.775 5.239 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c(C)c1 ZINC000409272415 1073255293 /nfs/dbraw/zinc/25/52/93/1073255293.db2.gz QCPRKMZSUGRGNM-JAIQZWGSSA-N -1 0 643.288 5.218 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409271842 1073260400 /nfs/dbraw/zinc/26/04/00/1073260400.db2.gz NXBXZHUPGSPJGH-CJLVFECKSA-N -1 0 622.074 5.610 40 10 KKCBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1C ZINC000409271479 1073262249 /nfs/dbraw/zinc/26/22/49/1073262249.db2.gz LKIYKSOGQICTIO-CIAFOILYSA-N -1 0 552.414 5.603 40 10 KKCBRM Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1C ZINC000409271605 1073263154 /nfs/dbraw/zinc/26/31/54/1073263154.db2.gz VIIVZLGQDOPLQR-KEBDBYFISA-N -1 0 556.377 5.433 40 10 KKCBRM Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)c1 ZINC000409271335 1073263787 /nfs/dbraw/zinc/26/37/87/1073263787.db2.gz UYRWAGFJHNQZMK-VXLYETTFSA-N -1 0 631.252 5.343 40 10 KKCBRM O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409270997 1073266846 /nfs/dbraw/zinc/26/68/46/1073266846.db2.gz JDIVTFLNMSKZRT-GRSHGNNSSA-N -1 0 649.679 5.255 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409270400 1073271003 /nfs/dbraw/zinc/27/10/03/1073271003.db2.gz FJYIEJUVUKFTIT-SRZZPIQSSA-N -1 0 687.918 5.952 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409269865 1073274964 /nfs/dbraw/zinc/27/49/64/1073274964.db2.gz AJIPUPXNRSTSKG-AWQFTUOYSA-N -1 0 647.309 6.147 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409269619 1073275712 /nfs/dbraw/zinc/27/57/12/1073275712.db2.gz KTKJOIVTZRUZCY-HZHRSRAPSA-N -1 0 547.995 5.039 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409269430 1073277915 /nfs/dbraw/zinc/27/79/15/1073277915.db2.gz JHTKSWWDSFNFJE-HZHRSRAPSA-N -1 0 622.074 5.610 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269237 1073279392 /nfs/dbraw/zinc/27/93/92/1073279392.db2.gz HMXFDVBHODUTBX-SRZZPIQSSA-N -1 0 657.315 5.521 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409268829 1073282402 /nfs/dbraw/zinc/28/24/02/1073282402.db2.gz BCIAQALCQLPQHU-UUYOSTAYSA-N -1 0 562.022 5.266 40 10 KKCBRM Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)c1 ZINC000409268205 1073285470 /nfs/dbraw/zinc/28/54/70/1073285470.db2.gz RNYRJCAPZQFNIC-VXLYETTFSA-N -1 0 556.377 5.433 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409267925 1073287429 /nfs/dbraw/zinc/28/74/29/1073287429.db2.gz WWKJKXWUVQTEIQ-CIAFOILYSA-N -1 0 610.436 5.288 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409267560 1073288653 /nfs/dbraw/zinc/28/86/53/1073288653.db2.gz NTVDYZYCUFYPCM-SXGWCWSVSA-N -1 0 668.125 6.202 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC ZINC000409267544 1073288820 /nfs/dbraw/zinc/28/88/20/1073288820.db2.gz NMOOYZAAOAAUHF-HAHDFKILSA-N -1 0 592.048 5.438 40 10 KKCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409382509 195515243 /nfs/dbraw/zinc/51/52/43/195515243.db2.gz NYEPLZOYYVVGOR-HYARGMPZSA-N -1 0 507.011 5.321 40 10 KKCBRM Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000408634567 195480823 /nfs/dbraw/zinc/48/08/23/195480823.db2.gz RTINOJCVWJNXSN-NDENLUEZSA-N -1 0 530.831 6.778 40 10 KKCBRM C[NH+](Cc1cc(C(C)(C)C)cc(Br)c1[O-])Cc1cc(C(C)(C)C)cc(Br)c1[O-] ZINC000001681099 551689006 /nfs/dbraw/zinc/68/90/06/551689006.db2.gz PYYGJCYIQDJBDR-UHFFFAOYSA-N -1 0 513.314 6.850 40 10 in-vitro KKCBRM O=C([O-])c1cc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)ccc1O ZINC000008820210 553155409 /nfs/dbraw/zinc/15/54/09/553155409.db2.gz GUSDFPAILUTZPH-UNOMPAQXSA-N -1 0 505.017 5.144 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000008860768 553170297 /nfs/dbraw/zinc/17/02/97/553170297.db2.gz UCYDSAGFZJICLJ-PLRJNAJWSA-N -1 0 510.615 5.871 40 10 KKCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000014133109 553501567 /nfs/dbraw/zinc/50/15/67/553501567.db2.gz XPRPLGLBWYHHCA-CPNJWEJPSA-N -1 0 509.331 5.142 40 10 KKCBRM CC(=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000020288327 553632983 /nfs/dbraw/zinc/63/29/83/553632983.db2.gz QELQXDYHIWZXEM-RRAHZORUSA-N -1 0 518.617 7.548 40 10 KKCBRM Cc1ccc(NN=C2C(=O)c3ccc4nc(-c5ccccc5N)sc4c3C=C2S(=O)(=O)[O-])c(C)c1 ZINC000025694618 553812982 /nfs/dbraw/zinc/81/29/82/553812982.db2.gz IQFFZAXZJJKKMX-ZQHSETAFSA-N -1 0 504.593 6.683 40 10 KKCBRM Cc1ccc(Sc2ccc(/C=C3\SC(=S)N([N-]C(=O)c4cccs4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124765 553865925 /nfs/dbraw/zinc/86/59/25/553865925.db2.gz JWCWYAWUHKQCPS-UNOMPAQXSA-N -1 0 513.647 5.662 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c(OCCOc2ccc(Br)cc2)c(Cl)c1 ZINC000097961877 553881345 /nfs/dbraw/zinc/88/13/45/553881345.db2.gz MPCUTVRPZQDHIT-ODLFYWEKSA-N -1 0 655.126 7.483 40 10 KKCBRM Cc1cccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000097965012 553902207 /nfs/dbraw/zinc/90/22/07/553902207.db2.gz LCTNBCCYMIHGHL-QNGOZBTKSA-N -1 0 521.367 5.722 40 10 KKCBRM Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000033567210 553962901 /nfs/dbraw/zinc/96/29/01/553962901.db2.gz HEZSJDSHCYANJF-ZVHZXABRSA-N -1 0 502.592 6.241 40 10 KKCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000100114789 554222869 /nfs/dbraw/zinc/22/28/69/554222869.db2.gz FBUASOQHBKKLFJ-STBIYBPSSA-N -1 0 612.568 7.371 40 10 KKCBRM Cc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Br)c3[O-])C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000100136999 554226966 /nfs/dbraw/zinc/22/69/66/554226966.db2.gz UXJGZTSKDNGMFF-HYARGMPZSA-N -1 0 606.270 6.962 40 10 KKCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C2=O)c1 ZINC000100193630 554245501 /nfs/dbraw/zinc/24/55/01/554245501.db2.gz PALXTBPUHAENLR-BRPDVVIDSA-N -1 0 568.589 6.694 40 10 KKCBRM CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000100247601 554261263 /nfs/dbraw/zinc/26/12/63/554261263.db2.gz XLCJPOSIIOZISM-UNOMPAQXSA-N -1 0 560.613 5.416 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000100251935 554262879 /nfs/dbraw/zinc/26/28/79/554262879.db2.gz ULJPZHHAHKOTAG-UHBFCERESA-N -1 0 590.123 7.477 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC ZINC000100251940 554262981 /nfs/dbraw/zinc/26/29/81/554262981.db2.gz BGMPJEXKPXMZPH-MSXFZWOLSA-N -1 0 549.067 6.272 40 10 KKCBRM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)[O-])c(Cl)c3)C2=O)cc1Br ZINC000100263036 554266005 /nfs/dbraw/zinc/26/60/05/554266005.db2.gz FIDMTZKRYJZKNK-LDADJPATSA-N -1 0 524.798 6.671 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000038199942 554274121 /nfs/dbraw/zinc/27/41/21/554274121.db2.gz WNJDIJKLQFODMI-DEDYPNTBSA-N -1 0 511.759 6.188 40 10 KKCBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000100286065 554280198 /nfs/dbraw/zinc/28/01/98/554280198.db2.gz TTZVRFCJXNBMKV-ONNFQVAWSA-N -1 0 565.070 5.358 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100320766 554305135 /nfs/dbraw/zinc/30/51/35/554305135.db2.gz MXFKGUNRKJMZFM-ODLFYWEKSA-N -1 0 541.785 5.357 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1 ZINC000100345066 554329845 /nfs/dbraw/zinc/32/98/45/554329845.db2.gz VHODNPNOKBZBGD-OYKKKHCWSA-N -1 0 587.426 5.865 40 10 KKCBRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058849868 554369414 /nfs/dbraw/zinc/36/94/14/554369414.db2.gz IKCMMJYMYWHVMR-XLNZFTOWSA-N -1 0 515.418 6.319 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058849697 554369502 /nfs/dbraw/zinc/36/95/02/554369502.db2.gz PKBSZGKBZSGBQE-SXDGJLEOSA-N -1 0 523.098 7.273 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc5ccccc54)c3C)C2=O)c1 ZINC000059104735 554379785 /nfs/dbraw/zinc/37/97/85/554379785.db2.gz UQEDNVCWJACGPC-KOEQRZSOSA-N -1 0 523.589 6.551 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C2=O)c1 ZINC000059105076 554380095 /nfs/dbraw/zinc/38/00/95/554380095.db2.gz VAQXYCGTFPTABK-CLXYIWAZSA-N -1 0 516.978 5.830 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C2=O)c1 ZINC000059104854 554380084 /nfs/dbraw/zinc/38/00/84/554380084.db2.gz 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/nfs/dbraw/zinc/48/23/07/555482307.db2.gz PUCVRVDGGBLUDJ-FOKLQQMPSA-N -1 0 579.491 5.991 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000103842787 571362486 /nfs/dbraw/zinc/36/24/86/571362486.db2.gz PKXIWBVMQQMZNC-SSDVNMTOSA-N -1 0 601.409 5.585 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000103843322 571362632 /nfs/dbraw/zinc/36/26/32/571362632.db2.gz UZXGVEIPTNOFQB-ALQBTCKLSA-N -1 0 626.753 7.952 40 10 KKCBRM Cc1c(Br)c(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000103842958 571362661 /nfs/dbraw/zinc/36/26/61/571362661.db2.gz ZKLIVFQOUFOSBK-CIAFOILYSA-N -1 0 571.269 5.902 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000103844911 571362914 /nfs/dbraw/zinc/36/29/14/571362914.db2.gz QAIZEYZXLJBPHE-ULILXGBTSA-N -1 0 621.572 7.159 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103845735 571363172 /nfs/dbraw/zinc/36/31/72/571363172.db2.gz ZVIPPNNSECYYQY-OKCVXOCRSA-N -1 0 550.630 6.539 40 10 KKCBRM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C ZINC000103845964 571363243 /nfs/dbraw/zinc/36/32/43/571363243.db2.gz PUYGVVGJBFALAF-CCVNUDIWSA-N -1 0 594.668 6.145 40 10 KKCBRM O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000103846219 571363436 /nfs/dbraw/zinc/36/34/36/571363436.db2.gz AQNJZVHQAPZRKT-UHFFFAOYSA-N -1 0 534.593 5.712 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000103846655 571363456 /nfs/dbraw/zinc/36/34/56/571363456.db2.gz UFLWZVMZTIQYPL-UFFVCSGVSA-N -1 0 561.377 6.121 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000103849350 571364018 /nfs/dbraw/zinc/36/40/18/571364018.db2.gz NQOVUSUREUKUPS-OEAKJJBVSA-N -1 0 545.364 5.987 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000103849723 571364109 /nfs/dbraw/zinc/36/41/09/571364109.db2.gz HOBJEUDBCOFAOP-OEAKJJBVSA-N -1 0 592.364 5.829 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000103850265 571364510 /nfs/dbraw/zinc/36/45/10/571364510.db2.gz POFHAKDMSOMCJE-RGVLZGJSSA-N -1 0 573.802 5.886 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000103850528 571364674 /nfs/dbraw/zinc/36/46/74/571364674.db2.gz PVQSAXFVDGQVRW-RGVLZGJSSA-N -1 0 584.354 5.141 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103850875 571364846 /nfs/dbraw/zinc/36/48/46/571364846.db2.gz JKHKNTGULVTQKN-WOJGMQOQSA-N -1 0 564.194 6.140 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000103852519 571365475 /nfs/dbraw/zinc/36/54/75/571365475.db2.gz WPFDYUMPYPJRHK-WOJGMQOQSA-N -1 0 589.870 6.051 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000103852508 571365489 /nfs/dbraw/zinc/36/54/89/571365489.db2.gz ZLSGHYLOIDWTHY-RQZCQDPDSA-N -1 0 579.864 6.595 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000103858518 571366641 /nfs/dbraw/zinc/36/66/41/571366641.db2.gz JIPBZGOXXWHISI-GIJQJNRQSA-N -1 0 608.645 6.250 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000103858766 571366745 /nfs/dbraw/zinc/36/67/45/571366745.db2.gz KJVDKJQJETYDIN-YDZHTSKRSA-N -1 0 591.845 6.510 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000103858883 571366763 /nfs/dbraw/zinc/36/67/63/571366763.db2.gz IZHUIXUOYWPDIQ-RGVLZGJSSA-N -1 0 600.263 5.774 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000103858610 571366769 /nfs/dbraw/zinc/36/67/69/571366769.db2.gz GUZBBUPLFWXATC-GIJQJNRQSA-N -1 0 591.201 5.910 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103858806 571366795 /nfs/dbraw/zinc/36/67/95/571366795.db2.gz TXMWWZNOXGQHLI-RGVLZGJSSA-N -1 0 600.263 5.774 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000103859198 571366927 /nfs/dbraw/zinc/36/69/27/571366927.db2.gz WNQDCFIWGZTPLR-LPYMAVHISA-N -1 0 545.349 5.027 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103875484 571368435 /nfs/dbraw/zinc/36/84/35/571368435.db2.gz AWJVPNCSGSPHSI-GZTJUZNOSA-N -1 0 557.411 5.111 40 10 KKCBRM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000103920134 571369716 /nfs/dbraw/zinc/36/97/16/571369716.db2.gz GDTXAUSPMSMSFS-IMRQLAEWSA-N -1 0 526.618 5.932 40 10 KKCBRM COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccc(OC)cc1 ZINC000103922857 571369923 /nfs/dbraw/zinc/36/99/23/571369923.db2.gz DHGKKWNAAMPQGJ-XYGWBWBKSA-N -1 0 558.616 5.246 40 10 KKCBRM CCN(Cc1ccccc1)c1ccc(N=Nc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)[O-])=C4)cc3)cc2)cc1 ZINC000104048959 571371748 /nfs/dbraw/zinc/37/17/48/571371748.db2.gz WZRQTXZBMCQTEL-RLUKNFBTSA-N -1 0 555.638 9.615 40 10 KKCBRM COC(=O)[C@H](Cc1nc(N=Nc2ccc(Br)cc2)[nH]c1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183536 571376223 /nfs/dbraw/zinc/37/62/23/571376223.db2.gz AJOHJTTUNAQXBF-VMELAIKWSA-N -1 0 577.237 5.986 40 10 KKCBRM Cc1[n-]n(C(=O)CC(=O)N(C(=O)c2ccccc2Cl)c2ccc(C)cc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000104293021 571378528 /nfs/dbraw/zinc/37/85/28/571378528.db2.gz LEPKGGMLGOFPKJ-RKHTVNCQSA-N -1 0 560.954 5.017 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104649622 571382905 /nfs/dbraw/zinc/38/29/05/571382905.db2.gz OEOFKRMWFNFUBD-WNGDZKDKSA-N -1 0 585.476 5.822 40 10 KKCBRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104649630 571382926 /nfs/dbraw/zinc/38/29/26/571382926.db2.gz YFXFFVFFLWBBOB-QSOCVKKASA-N -1 0 613.692 6.818 40 10 KKCBRM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649617 571382978 /nfs/dbraw/zinc/38/29/78/571382978.db2.gz DESPTDJGPBKKKV-DDFCPOBKSA-N -1 0 550.677 6.129 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649869 571383136 /nfs/dbraw/zinc/38/31/36/571383136.db2.gz VEUUQFKMCIGBID-ZDXGUKGBSA-N -1 0 589.895 6.467 40 10 KKCBRM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649861 571383165 /nfs/dbraw/zinc/38/31/65/571383165.db2.gz LUBXWAWATHYWCG-DKGMKSHISA-N -1 0 555.096 6.773 40 10 KKCBRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649876 571383187 /nfs/dbraw/zinc/38/31/87/571383187.db2.gz CTBLIDXIZMXIAV-PYYUSEHKSA-N -1 0 618.111 7.463 40 10 KKCBRM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649822 571383193 /nfs/dbraw/zinc/38/31/93/571383193.db2.gz QGPYDHNLGGFZRO-LZCXECNNSA-N -1 0 525.026 5.763 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12 ZINC000104882078 571387031 /nfs/dbraw/zinc/38/70/31/571387031.db2.gz CNZJTIBWUFIBRH-YBFXNURJSA-N -1 0 558.835 6.039 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12 ZINC000104882072 571387066 /nfs/dbraw/zinc/38/70/66/571387066.db2.gz GQOOEKBYUCBSNB-CIAFOILYSA-N -1 0 524.390 5.386 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12 ZINC000104882084 571387073 /nfs/dbraw/zinc/38/70/73/571387073.db2.gz KTNZYCODLGNKRG-HZHRSRAPSA-N -1 0 536.426 5.277 40 10 KKCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccccc2F)c2ccc(Br)cc12 ZINC000104882116 571387142 /nfs/dbraw/zinc/38/71/42/571387142.db2.gz QPVMWSSHBLCHSV-KGENOOAVSA-N -1 0 554.416 5.416 40 10 KKCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000105381627 571404472 /nfs/dbraw/zinc/40/44/72/571404472.db2.gz INSMPLWGZSWHHP-OTXPQFFASA-N -1 0 612.145 7.281 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c1 ZINC000106701424 571414501 /nfs/dbraw/zinc/41/45/01/571414501.db2.gz UYTXVKQHSYUJNA-OCKHKDLRSA-N -1 0 508.766 6.842 40 10 KKCBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000106721154 571415856 /nfs/dbraw/zinc/41/58/56/571415856.db2.gz FCHCPIJMZRGYBQ-OCKHKDLRSA-N -1 0 508.766 6.842 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000112245120 571435731 /nfs/dbraw/zinc/43/57/31/571435731.db2.gz LRYVDJXISMWWOS-UDWIEESQSA-N -1 0 525.388 5.946 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000112245914 571435833 /nfs/dbraw/zinc/43/58/33/571435833.db2.gz CMLBCHRBOHQCKM-UDWIEESQSA-N -1 0 569.839 6.055 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000112245822 571435982 /nfs/dbraw/zinc/43/59/82/571435982.db2.gz KTRHYCFOUWAFDZ-YBFXNURJSA-N -1 0 600.263 5.774 40 10 KKCBRM COc1c(I)cc(I)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C ZINC000150348616 571461260 /nfs/dbraw/zinc/46/12/60/571461260.db2.gz YFWWJLJNCVVRCB-MLPAPPSSSA-N -1 0 622.584 5.062 40 10 KKCBRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000223337351 571462448 /nfs/dbraw/zinc/46/24/48/571462448.db2.gz GLPXUGNRLKJESB-UHFFFAOYSA-N -1 0 567.863 5.782 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000150371151 571465782 /nfs/dbraw/zinc/46/57/82/571465782.db2.gz NQFOBMPCXXLOGF-VCHYOVAHSA-N -1 0 745.174 6.069 40 10 KKCBRM COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000223423871 571474563 /nfs/dbraw/zinc/47/45/63/571474563.db2.gz QJVKISRYZILEKL-KAYWLYCHSA-N -1 0 512.635 5.369 40 10 KKCBRM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc21 ZINC000223488313 571485738 /nfs/dbraw/zinc/48/57/38/571485738.db2.gz WKRCUNXAOXRVFQ-CIAFOILYSA-N -1 0 508.416 5.526 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223514528 571491274 /nfs/dbraw/zinc/49/12/74/571491274.db2.gz LNGAYHBLLWWBTL-XDHOZWIPSA-N -1 0 512.437 6.379 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150481321 571512616 /nfs/dbraw/zinc/51/26/16/571512616.db2.gz QQQFNJXWKFJOTK-NVMNQCDNSA-N -1 0 658.361 5.192 40 10 KKCBRM Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223609949 571513218 /nfs/dbraw/zinc/51/32/18/571513218.db2.gz BUSXCCMGRGKDAH-PUMYGXPMSA-N -1 0 530.521 6.634 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150662570 571527795 /nfs/dbraw/zinc/52/77/95/571527795.db2.gz VKXAWHICMBCPLN-FSJBWODESA-N -1 0 683.296 6.461 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)c1 ZINC000164306165 571545321 /nfs/dbraw/zinc/54/53/21/571545321.db2.gz CYGNKYRWDUWKBE-DJKKODMXSA-N -1 0 624.304 7.343 40 10 KKCBRM CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000164321324 571545568 /nfs/dbraw/zinc/54/55/68/571545568.db2.gz VIFZJVMUBNKNFO-UPWPZJMKSA-N -1 0 654.545 6.611 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000164311880 571545657 /nfs/dbraw/zinc/54/56/57/571545657.db2.gz STPCPEIDJBSDMJ-REZTVBANSA-N -1 0 618.209 5.325 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c(OCc4ccccc4Cl)cc3Br)C2=O)c1 ZINC000164330587 571545741 /nfs/dbraw/zinc/54/57/41/571545741.db2.gz XROOMLNLLRBIOC-FYJGNVAPSA-N -1 0 643.918 6.544 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000164343574 571546082 /nfs/dbraw/zinc/54/60/82/571546082.db2.gz LRDOKYKXYQKPSQ-KKMKTNMSSA-N -1 0 708.422 8.064 40 10 KKCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C2=O)c1 ZINC000164335840 571546093 /nfs/dbraw/zinc/54/60/93/571546093.db2.gz ZKOFBIDUMNUXBU-RGVLZGJSSA-N -1 0 770.212 6.859 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164349757 571546316 /nfs/dbraw/zinc/54/63/16/571546316.db2.gz YCVROSYCQWVXQN-CCVNUDIWSA-N -1 0 703.533 6.913 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164371187 571546435 /nfs/dbraw/zinc/54/64/35/571546435.db2.gz VHKMELHSAMMKHE-FRKPEAEDSA-N -1 0 643.090 6.903 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000164373265 571546458 /nfs/dbraw/zinc/54/64/58/571546458.db2.gz JNHJUJIRVKZONP-FRKPEAEDSA-N -1 0 690.090 6.745 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000164372448 571546510 /nfs/dbraw/zinc/54/65/10/571546510.db2.gz ISHQZIUYUCCZHW-GIJQJNRQSA-N -1 0 655.645 6.092 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164374551 571546527 /nfs/dbraw/zinc/54/65/27/571546527.db2.gz HMAZEVTYKMASPL-GIJQJNRQSA-N -1 0 666.197 5.346 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164393818 571546945 /nfs/dbraw/zinc/54/69/45/571546945.db2.gz OCILEDCXZVSGQW-VIZOYTHASA-N -1 0 706.158 6.910 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164395852 571547043 /nfs/dbraw/zinc/54/70/43/571547043.db2.gz VNDVBOKOTKAUDR-UDWIEESQSA-N -1 0 687.328 6.756 40 10 KKCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000164396364 571547064 /nfs/dbraw/zinc/54/70/64/571547064.db2.gz IKZYARYFSLSNKD-CXUHLZMHSA-N -1 0 627.262 6.147 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164406734 571547418 /nfs/dbraw/zinc/54/74/18/571547418.db2.gz DUXKAMDDMIPTRQ-WOJGMQOQSA-N -1 0 647.422 5.148 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000164446406 571547668 /nfs/dbraw/zinc/54/76/68/571547668.db2.gz NCTMMKCAFQMDRH-GIJQJNRQSA-N -1 0 680.103 6.128 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000164444254 571547670 /nfs/dbraw/zinc/54/76/70/571547670.db2.gz XOLMHLJVAYIGMK-GIJQJNRQSA-N -1 0 625.100 6.764 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164455725 571547911 /nfs/dbraw/zinc/54/79/11/571547911.db2.gz MAJLALFUXGXGTE-REZTVBANSA-N -1 0 797.996 7.211 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000164454045 571547994 /nfs/dbraw/zinc/54/79/94/571547994.db2.gz CALGPKGULFKSLJ-YBFXNURJSA-N -1 0 621.200 5.438 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164459188 571548099 /nfs/dbraw/zinc/54/80/99/571548099.db2.gz MISXYPZPHZNOKD-CAOOACKPSA-N -1 0 655.126 6.772 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000164460871 571548204 /nfs/dbraw/zinc/54/82/04/571548204.db2.gz AUULZLFUKFFBQC-VXLYETTFSA-N -1 0 759.132 5.912 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000164463298 571548390 /nfs/dbraw/zinc/54/83/90/571548390.db2.gz KUPFFQDOLKWTNO-FYJGNVAPSA-N -1 0 647.263 5.698 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164466313 571548415 /nfs/dbraw/zinc/54/84/15/571548415.db2.gz VDFZVOFPGCRZOU-RGVLZGJSSA-N -1 0 645.260 5.764 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000164462593 571548468 /nfs/dbraw/zinc/54/84/68/571548468.db2.gz KAQKIOCJHDZJFT-VXLYETTFSA-N -1 0 631.233 5.374 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000164467092 571548655 /nfs/dbraw/zinc/54/86/55/571548655.db2.gz MXLQKSRLIIFBPN-UDWIEESQSA-N -1 0 647.263 5.698 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164467371 571548680 /nfs/dbraw/zinc/54/86/80/571548680.db2.gz PJGSNUBOJVRDOM-RGVLZGJSSA-N -1 0 681.708 6.351 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000164475759 571548838 /nfs/dbraw/zinc/54/88/38/571548838.db2.gz YMQIRTRPKAKIGQ-FMCGGJTJSA-N -1 0 636.296 6.619 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224466376 571552563 /nfs/dbraw/zinc/55/25/63/571552563.db2.gz GARIQJWDFHISFD-JWQCQUIFSA-N -1 0 503.027 6.018 40 10 KKCBRM CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000169620044 571554251 /nfs/dbraw/zinc/55/42/51/571554251.db2.gz WUEWKIOEQWJMCU-QKYMMTCKSA-N -1 0 529.743 7.166 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223898204 571570458 /nfs/dbraw/zinc/57/04/58/571570458.db2.gz VKTPOMDBVTZCPT-KAYWLYCHSA-N -1 0 511.651 5.430 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223898504 571570630 /nfs/dbraw/zinc/57/06/30/571570630.db2.gz XAEWSNRWJPBEFN-SXOMAYOGSA-N -1 0 511.651 5.430 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208328453 571573810 /nfs/dbraw/zinc/57/38/10/571573810.db2.gz IVHVKZSGCLLFJY-SVZNOHIVSA-N -1 0 510.432 5.536 40 10 KKCBRM CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2C(C)=CC1(C)C ZINC000208518862 571574618 /nfs/dbraw/zinc/57/46/18/571574618.db2.gz MDEKEZFKCKPMSY-LDADJPATSA-N -1 0 514.478 6.155 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000209559945 571575249 /nfs/dbraw/zinc/57/52/49/571575249.db2.gz WBMIUIZUAPZTRG-WOJGMQOQSA-N -1 0 555.812 5.665 40 10 KKCBRM Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000214411360 571579087 /nfs/dbraw/zinc/57/90/87/571579087.db2.gz WBGSDUUBZRTOFL-UFFVCSGVSA-N -1 0 501.391 6.336 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000223977199 571587420 /nfs/dbraw/zinc/58/74/20/571587420.db2.gz VQWDLKDSIXGCCD-RRPNLBNLSA-N -1 0 525.634 5.323 40 10 KKCBRM CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000223980782 571588184 /nfs/dbraw/zinc/58/81/84/571588184.db2.gz GUDXNHZFUDEPBD-WUFINQPMSA-N -1 0 539.661 5.631 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224639127 571592717 /nfs/dbraw/zinc/59/27/17/571592717.db2.gz MLKZNRRFRQCMRZ-IOWSJCHKSA-N -1 0 560.679 7.157 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224673035 571600195 /nfs/dbraw/zinc/60/01/95/571600195.db2.gz OYPNRELPAQNRKS-ROJLCIKYSA-N -1 0 574.706 7.465 40 10 KKCBRM COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224055577 571603158 /nfs/dbraw/zinc/60/31/58/571603158.db2.gz KYJJYJJNLBBCPM-IZLXSDGUSA-N -1 0 577.106 6.043 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224706948 571607238 /nfs/dbraw/zinc/60/72/38/571607238.db2.gz DWODMQAUBAQUOM-ACHIHNKUSA-N -1 0 574.706 7.465 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224710308 571607907 /nfs/dbraw/zinc/60/79/07/571607907.db2.gz UZXBGYVBZXYFAS-SAIUNTKASA-N -1 0 588.733 7.774 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224093962 571609080 /nfs/dbraw/zinc/60/90/80/571609080.db2.gz XYSVOYDFJPJKOO-FQLXRVMXSA-N -1 0 567.715 6.267 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)cc2)cc1 ZINC000224741621 571612808 /nfs/dbraw/zinc/61/28/08/571612808.db2.gz JQXASEYIBFKOGY-ACHIHNKUSA-N -1 0 590.705 7.165 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)cc2)cc1 ZINC000224741978 571612878 /nfs/dbraw/zinc/61/28/78/571612878.db2.gz MTMARMMPKFGQSH-ROJLCIKYSA-N -1 0 590.705 7.165 40 10 KKCBRM COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)cc2)cc1 ZINC000224744929 571613110 /nfs/dbraw/zinc/61/31/10/571613110.db2.gz MFXPGHAXPGFVSH-SAIUNTKASA-N -1 0 604.732 7.474 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)c(OC)c1 ZINC000224811812 571619378 /nfs/dbraw/zinc/61/93/78/571619378.db2.gz QBPDXYIYSUGSSK-WUFINQPMSA-N -1 0 542.661 5.690 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224871596 571625273 /nfs/dbraw/zinc/62/52/73/571625273.db2.gz TTZKHCRCPYPMBO-RPBOFIJWSA-N -1 0 519.026 5.723 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000224901252 571628255 /nfs/dbraw/zinc/62/82/55/571628255.db2.gz YGPCJJOSBIIPKL-FTJBHMTQSA-N -1 0 500.599 5.812 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000224933692 571631413 /nfs/dbraw/zinc/63/14/13/571631413.db2.gz KAUZWLWEDIRYGO-SXOMAYOGSA-N -1 0 575.532 6.744 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224960307 571634038 /nfs/dbraw/zinc/63/40/38/571634038.db2.gz UHKVJBYDMQACKS-UIOOFZCWSA-N -1 0 533.053 6.026 40 10 KKCBRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1Cl ZINC000224960257 571634048 /nfs/dbraw/zinc/63/40/48/571634048.db2.gz SQWPIWIDBXYWTL-CLJLJLNGSA-N -1 0 533.053 6.026 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1Cl ZINC000224960387 571634055 /nfs/dbraw/zinc/63/40/55/571634055.db2.gz UHKVJBYDMQACKS-IZZNHLLZSA-N -1 0 533.053 6.026 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1Cl ZINC000224960484 571634060 /nfs/dbraw/zinc/63/40/60/571634060.db2.gz FDFGTPYMTYDZCT-UIOOFZCWSA-N -1 0 533.053 6.026 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000224988915 571636762 /nfs/dbraw/zinc/63/67/62/571636762.db2.gz GIRUMXXDAHEZPH-JSOSNVBQSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000224989055 571636819 /nfs/dbraw/zinc/63/68/19/571636819.db2.gz LHKMFHVXORZNDT-FIRIVFDPSA-N -1 0 600.188 7.254 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225048811 571642084 /nfs/dbraw/zinc/64/20/84/571642084.db2.gz KOZJULNOKHEXII-VMPREFPWSA-N -1 0 539.705 5.970 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225048770 571642109 /nfs/dbraw/zinc/64/21/09/571642109.db2.gz KOZJULNOKHEXII-URLMMPGGSA-N -1 0 539.705 5.970 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225132288 571650333 /nfs/dbraw/zinc/65/03/33/571650333.db2.gz KKHDBDOIBBIXOT-VSGBNLITSA-N -1 0 588.133 6.612 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225160291 571653258 /nfs/dbraw/zinc/65/32/58/571653258.db2.gz ZWNXHPCKXVXYJM-FQLXRVMXSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225160254 571653305 /nfs/dbraw/zinc/65/33/05/571653305.db2.gz ZWNXHPCKXVXYJM-URLMMPGGSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C ZINC000225160382 571653318 /nfs/dbraw/zinc/65/33/18/571653318.db2.gz ZGPIMPPHELDHSR-WDYNHAJCSA-N -1 0 553.688 6.021 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1OC ZINC000225188375 571656019 /nfs/dbraw/zinc/65/60/19/571656019.db2.gz TYBXLXVFRPWTCQ-VMPREFPWSA-N -1 0 569.687 5.722 40 10 KKCBRM CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1OC ZINC000225191296 571656388 /nfs/dbraw/zinc/65/63/88/571656388.db2.gz WGDHILGUSZPFED-LOYHVIPDSA-N -1 0 583.714 6.030 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1Cl ZINC000225247188 571662196 /nfs/dbraw/zinc/66/21/96/571662196.db2.gz AVTWRNIFIFKSHH-FQLXRVMXSA-N -1 0 604.132 5.911 40 10 KKCBRM COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C ZINC000225270734 571664947 /nfs/dbraw/zinc/66/49/47/571664947.db2.gz YDAZXDYBQZOHQY-URLMMPGGSA-N -1 0 569.687 5.258 40 10 KKCBRM COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)ccc1OC ZINC000225300033 571668565 /nfs/dbraw/zinc/66/85/65/571668565.db2.gz ZZWZUNIHGKGBCB-LOYHVIPDSA-N -1 0 599.713 5.266 40 10 KKCBRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1NC(C)=O ZINC000225320640 571675932 /nfs/dbraw/zinc/67/59/32/571675932.db2.gz GVHIAWNDSNRQQQ-WUFINQPMSA-N -1 0 555.660 5.331 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225348431 571709590 /nfs/dbraw/zinc/70/95/90/571709590.db2.gz NKDMPRMOQPLHHR-WDYNHAJCSA-N -1 0 540.689 6.460 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225348472 571709681 /nfs/dbraw/zinc/70/96/81/571709681.db2.gz NKDMPRMOQPLHHR-URLMMPGGSA-N -1 0 540.689 6.460 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225374137 571740045 /nfs/dbraw/zinc/74/00/45/571740045.db2.gz KBXBWBMACNZYBZ-CONSDPRKSA-N -1 0 566.727 6.994 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225374106 571740152 /nfs/dbraw/zinc/74/01/52/571740152.db2.gz KBXBWBMACNZYBZ-IOWSJCHKSA-N -1 0 566.727 6.994 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000260918110 571851847 /nfs/dbraw/zinc/85/18/47/571851847.db2.gz LAVLCEZMEDKNCG-HBFWWTAJSA-N -1 0 614.215 7.500 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225529732 571896747 /nfs/dbraw/zinc/89/67/47/571896747.db2.gz GRNGOFROVMYLOM-NSOVKSMOSA-N -1 0 539.661 5.189 40 10 KKCBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225529838 571896910 /nfs/dbraw/zinc/89/69/10/571896910.db2.gz NJZOEHYQZCLMKS-NSOVKSMOSA-N -1 0 539.661 5.189 40 10 KKCBRM CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000225553029 571915885 /nfs/dbraw/zinc/91/58/85/571915885.db2.gz MLRFZLFBWVGAIT-CONSDPRKSA-N -1 0 581.742 6.059 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225572038 571933183 /nfs/dbraw/zinc/93/31/83/571933183.db2.gz SXCCKQDVMKMEKQ-URLMMPGGSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225592641 571948403 /nfs/dbraw/zinc/94/84/03/571948403.db2.gz XEALMMUHBLJASM-IZLXSDGUSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000225592917 571948730 /nfs/dbraw/zinc/94/87/30/571948730.db2.gz NUAOOEKOQMRPOP-IZLXSDGUSA-N -1 0 557.651 5.328 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000225594931 571950331 /nfs/dbraw/zinc/95/03/31/571950331.db2.gz JWRDZURVYFDPPB-FQLXRVMXSA-N -1 0 571.678 5.636 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225648676 571997407 /nfs/dbraw/zinc/99/74/07/571997407.db2.gz FPDSSPJUEKGTJM-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225648528 571997433 /nfs/dbraw/zinc/99/74/33/571997433.db2.gz TZTIEKBKDRHSNA-FQLXRVMXSA-N -1 0 553.688 5.497 40 10 KKCBRM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000225648559 571997444 /nfs/dbraw/zinc/99/74/44/571997444.db2.gz TZTIEKBKDRHSNA-WDYNHAJCSA-N -1 0 553.688 5.497 40 10 KKCBRM COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000225668003 572010293 /nfs/dbraw/zinc/01/02/93/572010293.db2.gz PXZHHFGDDIENRP-WDYNHAJCSA-N -1 0 569.687 5.197 40 10 KKCBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000225706376 572036850 /nfs/dbraw/zinc/03/68/50/572036850.db2.gz WPIRMXBRTWCFOD-AJQTZOPKSA-N -1 0 589.721 6.342 40 10 KKCBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225747867 572059907 /nfs/dbraw/zinc/05/99/07/572059907.db2.gz YCZIQCKPTBNZBD-UHFFFAOYSA-N -1 0 535.046 5.797 40 10 KKCBRM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225793677 572069574 /nfs/dbraw/zinc/06/95/74/572069574.db2.gz VUTAHWCRWCKTOT-UHFFFAOYSA-N -1 0 535.046 5.797 40 10 KKCBRM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc(C45CC6CC(CC(C6)C4)C5)ccc3Br)C2=O)c(C)c1 ZINC000408526284 572157150 /nfs/dbraw/zinc/15/71/50/572157150.db2.gz AQFQRZQMXRDUEK-HZHRSRAPSA-N -1 0 562.508 6.421 40 10 KKCBRM COc1cc(NC=C2C(=O)[N-]C(=O)N(c3cc(C)c(Br)cc3C)C2=O)ccc1-n1nc(C)c(Br)c1C ZINC000408526336 572157720 /nfs/dbraw/zinc/15/77/20/572157720.db2.gz AZUSRCMBDSKEFE-GZTJUZNOSA-N -1 0 617.298 5.218 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408527916 572162400 /nfs/dbraw/zinc/16/24/00/572162400.db2.gz AIINUGDCZRVNFX-NCHPMYSESA-N -1 0 688.228 5.247 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408529138 572167290 /nfs/dbraw/zinc/16/72/90/572167290.db2.gz IJIDZYKKQJICBV-KGENOOAVSA-N -1 0 520.973 5.295 40 10 KKCBRM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc1)CCCC2 ZINC000408530965 572173867 /nfs/dbraw/zinc/17/38/67/572173867.db2.gz JXCHMZTUXNFKRK-XQNSMLJCSA-N -1 0 586.670 5.252 40 10 KKCBRM Cc1ccc(NC(=S)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)c1 ZINC000408531284 572175037 /nfs/dbraw/zinc/17/50/37/572175037.db2.gz NQGSWDSOCAGFCO-LFVJCYFKSA-N -1 0 528.678 5.225 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408531270 572175108 /nfs/dbraw/zinc/17/51/08/572175108.db2.gz GPYNBQZADNGPKB-UDWIEESQSA-N -1 0 539.371 5.586 40 10 KKCBRM CCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408531346 572175607 /nfs/dbraw/zinc/17/56/07/572175607.db2.gz LRFIHTKHQNXILS-HMMYKYKNSA-N -1 0 545.430 5.482 40 10 KKCBRM COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC ZINC000408531566 572176568 /nfs/dbraw/zinc/17/65/68/572176568.db2.gz HBPPYBQZZGUGDA-GRSHGNNSSA-N -1 0 649.372 5.379 40 10 KKCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000408531629 572176710 /nfs/dbraw/zinc/17/67/10/572176710.db2.gz ORIIVBASQGPWTP-TURZUDJPSA-N -1 0 699.646 7.872 40 10 KKCBRM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ncc(Br)cc1Br ZINC000408531802 572177616 /nfs/dbraw/zinc/17/76/16/572177616.db2.gz LSENEJXBRBYFEF-JYRVWZFOSA-N -1 0 543.057 5.704 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408532123 572178656 /nfs/dbraw/zinc/17/86/56/572178656.db2.gz IDOVYEATXCXWMR-MLUQCUIJSA-N -1 0 595.833 5.786 40 10 KKCBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC(=O)C=Cc3ccc(Cl)cc3)C2=O)c1 ZINC000408532769 572181076 /nfs/dbraw/zinc/18/10/76/572181076.db2.gz IXBSNHCUWYOJHZ-IWWQDUJXSA-N -1 0 660.702 6.159 40 10 KKCBRM CCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408532856 572181105 /nfs/dbraw/zinc/18/11/05/572181105.db2.gz PKYDWUGDQZZRBM-ULJHMMPZSA-N -1 0 549.421 5.873 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 ZINC000408533047 572181774 /nfs/dbraw/zinc/18/17/74/572181774.db2.gz JENHFIJKGGYWJG-UNOMPAQXSA-N -1 0 560.187 5.642 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1 ZINC000408533174 572182070 /nfs/dbraw/zinc/18/20/70/572182070.db2.gz JNDQBYLLKGTJHH-WQRHYEAKSA-N -1 0 696.089 5.702 40 10 KKCBRM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408533268 572182654 /nfs/dbraw/zinc/18/26/54/572182654.db2.gz OICCGLGICSZIOH-ZROIWOOFSA-N -1 0 516.564 5.426 40 10 KKCBRM Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408534617 572186602 /nfs/dbraw/zinc/18/66/02/572186602.db2.gz MKLXUXQFEVGHTH-MOSHPQCFSA-N -1 0 539.769 5.297 40 10 KKCBRM Cc1ccc(NC(=S)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000408534904 572187663 /nfs/dbraw/zinc/18/76/63/572187663.db2.gz RQWFGIWZKUXRER-PCLIKHOPSA-N -1 0 528.678 5.225 40 10 KKCBRM O=C(Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000408535654 572189194 /nfs/dbraw/zinc/18/91/94/572189194.db2.gz OJULPBQHAKDMKE-IUXPMGMMSA-N -1 0 717.979 7.167 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408535994 572190149 /nfs/dbraw/zinc/19/01/49/572190149.db2.gz PLGKJKXOMYGIFX-CAAGMPDOSA-N -1 0 584.934 6.043 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408536717 572192115 /nfs/dbraw/zinc/19/21/15/572192115.db2.gz AOYZVPOELJOSGR-YSMPRRRNSA-N -1 0 673.516 6.386 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(OCC)c3)C2=O)cc1 ZINC000408536775 572192238 /nfs/dbraw/zinc/19/22/38/572192238.db2.gz BBCKFJQHIVPFKQ-RDRPBHBLSA-N -1 0 715.597 7.470 40 10 KKCBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408536868 572192800 /nfs/dbraw/zinc/19/28/00/572192800.db2.gz SWDJCOQIFVATIR-IWWILETLSA-N -1 0 767.124 6.010 40 10 KKCBRM COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408536905 572192839 /nfs/dbraw/zinc/19/28/39/572192839.db2.gz TYIPTUVEPGJREM-NDENLUEZSA-N -1 0 630.245 5.114 40 10 KKCBRM COc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537437 572194234 /nfs/dbraw/zinc/19/42/34/572194234.db2.gz FCQKPQXTLXMVJW-MXAYSNPKSA-N -1 0 644.036 6.090 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408537327 572194323 /nfs/dbraw/zinc/19/43/23/572194323.db2.gz VHQVRXPJSRYRPL-FYJGNVAPSA-N -1 0 538.478 5.298 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(OCc5ccccc5)c(OCC)c4)c(Cl)c3)C2=O)cc1 ZINC000408537420 572194437 /nfs/dbraw/zinc/19/44/37/572194437.db2.gz DWNRLTNMEZNTGJ-JVWAILMASA-N -1 0 661.538 7.615 40 10 KKCBRM O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408537513 572194936 /nfs/dbraw/zinc/19/49/36/572194936.db2.gz VVDHHNFIIJLCBY-KRWXNTFSSA-N -1 0 722.127 6.101 40 10 KKCBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408537531 572195049 /nfs/dbraw/zinc/19/50/49/572195049.db2.gz WAMLQOMMTQEQLI-KPFFVQBGSA-N -1 0 630.329 5.661 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408537671 572195593 /nfs/dbraw/zinc/19/55/93/572195593.db2.gz GSYLABSDJARURZ-MTDXEUNCSA-N -1 0 610.638 6.448 40 10 KKCBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Br)cc1 ZINC000408537632 572195658 /nfs/dbraw/zinc/19/56/58/572195658.db2.gz WKPWOMHXYYFKLL-ODLFYWEKSA-N -1 0 638.190 6.116 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408537826 572196039 /nfs/dbraw/zinc/19/60/39/572196039.db2.gz XMAIDGVOARLXBF-KGENOOAVSA-N -1 0 549.377 5.042 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537865 572196056 /nfs/dbraw/zinc/19/60/56/572196056.db2.gz HQDQGDHKRYWPRD-YUMHPJSZSA-N -1 0 715.553 6.467 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408537866 572196075 /nfs/dbraw/zinc/19/60/75/572196075.db2.gz XVBAGCTXGMLCAN-MLUQCUIJSA-N -1 0 606.385 5.041 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408537844 572196083 /nfs/dbraw/zinc/19/60/83/572196083.db2.gz HMPGEMBVOLJLHG-UYRXBGFRSA-N -1 0 515.950 5.272 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408537919 572196377 /nfs/dbraw/zinc/19/63/77/572196377.db2.gz IAZXYAPMRBKHIV-QQXSKIMKSA-N -1 0 580.593 5.234 40 10 KKCBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408537909 572196421 /nfs/dbraw/zinc/19/64/21/572196421.db2.gz HXLWQNFZUKLBKW-OOAXWGSJSA-N -1 0 542.632 6.290 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408537889 572196509 /nfs/dbraw/zinc/19/65/09/572196509.db2.gz HTIYUMHGNLDCOB-ZXVVBBHZSA-N -1 0 564.594 5.528 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408537960 572196614 /nfs/dbraw/zinc/19/66/14/572196614.db2.gz IPBPWXHJZZHOIO-BOPFTXTBSA-N -1 0 566.246 5.543 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408538124 572196989 /nfs/dbraw/zinc/19/69/89/572196989.db2.gz JLCVQJKDQUJUDD-OVVQPSECSA-N -1 0 643.490 6.291 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408538351 572198040 /nfs/dbraw/zinc/19/80/40/572198040.db2.gz LJXVAUGZGJKDOJ-RGEXLXHISA-N -1 0 505.796 5.728 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538570 572198460 /nfs/dbraw/zinc/19/84/60/572198460.db2.gz OVWWHIYZZHJPKZ-YSMPRRRNSA-N -1 0 702.514 6.589 40 10 KKCBRM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538940 572199923 /nfs/dbraw/zinc/19/99/23/572199923.db2.gz RURYXOJVCQUVAY-QFEZKATASA-N -1 0 740.434 8.378 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408538963 572200462 /nfs/dbraw/zinc/20/04/62/572200462.db2.gz SBJCRWDWOTXZMI-RCCKNPSSSA-N -1 0 559.457 5.872 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(OCc5ccccc5)c(OC)c4)c(Br)c3)C2=O)cc1OC ZINC000408539440 572201870 /nfs/dbraw/zinc/20/18/70/572201870.db2.gz HQWRJVKISFVHEW-YSMPRRRNSA-N -1 0 780.466 7.842 40 10 KKCBRM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539390 572202016 /nfs/dbraw/zinc/20/20/16/572202016.db2.gz GYKFUVMYCXWAPW-JFLMPSFJSA-N -1 0 675.565 7.924 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408539484 572202428 /nfs/dbraw/zinc/20/24/28/572202428.db2.gz WOMYOIRFTRDOPU-CPNJWEJPSA-N -1 0 549.849 6.127 40 10 KKCBRM CCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408539536 572202572 /nfs/dbraw/zinc/20/25/72/572202572.db2.gz XCRSBVCUJGNPPI-STZFKDTASA-N -1 0 543.458 6.090 40 10 KKCBRM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539591 572202585 /nfs/dbraw/zinc/20/25/85/572202585.db2.gz IHUDAZCUZRYATA-DHRITJCHSA-N -1 0 677.935 6.944 40 10 KKCBRM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408539644 572202930 /nfs/dbraw/zinc/20/29/30/572202930.db2.gz JAVHRJAHGNDVRH-CPNJWEJPSA-N -1 0 505.796 5.728 40 10 KKCBRM COc1cc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000408539742 572203367 /nfs/dbraw/zinc/20/33/67/572203367.db2.gz YLLCVDFIAYGHQH-YZSQISJMSA-N -1 0 583.040 6.481 40 10 KKCBRM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408539903 572203708 /nfs/dbraw/zinc/20/37/08/572203708.db2.gz KKEHEYOHOAVNPS-AQTBWJFISA-N -1 0 519.425 6.326 40 10 KKCBRM O=C(N/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O)Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000408539847 572203839 /nfs/dbraw/zinc/20/38/39/572203839.db2.gz ZMGWLBBWIOZDMJ-TURZUDJPSA-N -1 0 776.570 8.436 40 10 KKCBRM COc1cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408540107 572204740 /nfs/dbraw/zinc/20/47/40/572204740.db2.gz NCTRSPNLVSGYCR-JVWAILMASA-N -1 0 583.040 6.481 40 10 KKCBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000408540282 572205002 /nfs/dbraw/zinc/20/50/02/572205002.db2.gz PPVFCEWJSHSIRH-ANYBSYGZSA-N -1 0 636.701 6.707 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540871 572207077 /nfs/dbraw/zinc/20/70/77/572207077.db2.gz WRGOHGREDPSITR-USHMODERSA-N -1 0 608.716 6.473 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541165 572207837 /nfs/dbraw/zinc/20/78/37/572207837.db2.gz YDTYHJLTAOYOJI-CVKSISIWSA-N -1 0 599.039 6.182 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541105 572207940 /nfs/dbraw/zinc/20/79/40/572207940.db2.gz DTDOIGCMDRDOJW-QXUDOOCXSA-N -1 0 673.810 7.035 40 10 KKCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)C1=O ZINC000408541787 572209382 /nfs/dbraw/zinc/20/93/82/572209382.db2.gz FVCOLOSICRBEKV-LGUFXXKBSA-N -1 0 567.642 5.129 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542946 572211486 /nfs/dbraw/zinc/21/14/86/572211486.db2.gz MBQGMEUHMIIEHW-OVVQPSECSA-N -1 0 567.642 5.184 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544774 572216895 /nfs/dbraw/zinc/21/68/95/572216895.db2.gz XGFCDQYNACKKSG-NLRVBDNBSA-N -1 0 569.683 5.040 40 10 KKCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408548532 572229579 /nfs/dbraw/zinc/22/95/79/572229579.db2.gz IGUBDNLZWUFCDK-WYMPLXKRSA-N -1 0 500.595 5.146 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550019 572232790 /nfs/dbraw/zinc/23/27/90/572232790.db2.gz AQSGAVARIJPROE-FRKPEAEDSA-N -1 0 747.021 6.965 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408549947 572232922 /nfs/dbraw/zinc/23/29/22/572232922.db2.gz AAKSQRWJGZJMRD-MFOYZWKCSA-N -1 0 666.255 5.291 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000408550700 572234639 /nfs/dbraw/zinc/23/46/39/572234639.db2.gz GNCVLARLJAVPAC-OMCISZLKSA-N -1 0 627.695 6.946 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408551049 572235337 /nfs/dbraw/zinc/23/53/37/572235337.db2.gz AJJHELMJFDCUBT-YBFXNURJSA-N -1 0 588.831 5.729 40 10 KKCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000408551091 572235402 /nfs/dbraw/zinc/23/54/02/572235402.db2.gz AZGDJRCETNSAAX-CAOOACKPSA-N -1 0 593.250 6.293 40 10 KKCBRM O=C(COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408551012 572235426 /nfs/dbraw/zinc/23/54/26/572235426.db2.gz IYFAWWIJMOLQMW-FMCGGJTJSA-N -1 0 774.249 7.781 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551092 572235445 /nfs/dbraw/zinc/23/54/45/572235445.db2.gz BAIIEUSKUPFIIB-IUXPMGMMSA-N -1 0 653.700 6.102 40 10 KKCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408551495 572236178 /nfs/dbraw/zinc/23/61/78/572236178.db2.gz DCYHMNKOJBTLFS-VCHYOVAHSA-N -1 0 574.804 5.339 40 10 KKCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000408551413 572236184 /nfs/dbraw/zinc/23/61/84/572236184.db2.gz CQFJDWBUPQGHOY-SXGWCWSVSA-N -1 0 593.250 6.293 40 10 KKCBRM O=C(COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408551472 572236302 /nfs/dbraw/zinc/23/63/02/572236302.db2.gz LAVXZOWYPYSDSO-YBFXNURJSA-N -1 0 589.229 5.440 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408551740 572236924 /nfs/dbraw/zinc/23/69/24/572236924.db2.gz FSGAGGREXOJSPK-RQZCQDPDSA-N -1 0 607.219 5.579 40 10 KKCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552039 572237403 /nfs/dbraw/zinc/23/74/03/572237403.db2.gz NOENTMCCBOFOQE-GIJQJNRQSA-N -1 0 606.821 5.869 40 10 KKCBRM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552214 572237872 /nfs/dbraw/zinc/23/78/72/572237872.db2.gz IBOCOMFVLRFMMY-VXLYETTFSA-N -1 0 544.778 5.331 40 10 KKCBRM O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552481 572238537 /nfs/dbraw/zinc/23/85/37/572238537.db2.gz IVTHYBIJLVCDLT-NVMNQCDNSA-N -1 0 634.226 5.348 40 10 KKCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552626 572239078 /nfs/dbraw/zinc/23/90/78/572239078.db2.gz RQPWRZBPRFLTSK-NVMNQCDNSA-N -1 0 678.279 5.747 40 10 KKCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552985 572239452 /nfs/dbraw/zinc/23/94/52/572239452.db2.gz TXMAISYOWCUCHK-VCHYOVAHSA-N -1 0 619.255 5.448 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552951 572239554 /nfs/dbraw/zinc/23/95/54/572239554.db2.gz LYALTRZMYIPBDV-IDUWFGFVSA-N -1 0 664.252 5.357 40 10 KKCBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553439 572240683 /nfs/dbraw/zinc/24/06/83/572240683.db2.gz WJEUTMMPROUGID-IUXPMGMMSA-N -1 0 711.252 5.199 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408555084 572242550 /nfs/dbraw/zinc/24/25/50/572242550.db2.gz VJBJIJGPNZDBFO-CHHVJCJISA-N -1 0 613.668 6.638 40 10 KKCBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555422 572242708 /nfs/dbraw/zinc/24/27/08/572242708.db2.gz XHSBBEIHAHOZGR-GIJQJNRQSA-N -1 0 579.223 5.984 40 10 KKCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408555840 572243297 /nfs/dbraw/zinc/24/32/97/572243297.db2.gz YOOSXPMADKPJFT-IUXPMGMMSA-N -1 0 589.775 5.239 40 10 KKCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408555881 572243307 /nfs/dbraw/zinc/24/33/07/572243307.db2.gz ZIRSBDWWVCNRSE-YBFXNURJSA-N -1 0 633.282 5.839 40 10 KKCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408588072 572266761 /nfs/dbraw/zinc/26/67/61/572266761.db2.gz XCJLNKYUCZUYBG-UHFFFAOYSA-N -1 0 589.884 6.940 40 10 KKCBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])n[nH]1 ZINC000408631347 572287421 /nfs/dbraw/zinc/28/74/21/572287421.db2.gz HVFCSXGMWGPXBB-NHDPSOOVSA-N -1 0 525.974 5.667 40 10 KKCBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)[O-])o2)c1 ZINC000408633174 572289843 /nfs/dbraw/zinc/28/98/43/572289843.db2.gz LZWRDTZXJANKRV-UUYOSTAYSA-N -1 0 556.438 6.142 40 10 KKCBRM CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])c(OC)c1 ZINC000408633754 572290646 /nfs/dbraw/zinc/29/06/46/572290646.db2.gz OYVNWOVAHOKWEW-UCQKPKSFSA-N -1 0 512.632 5.055 40 10 KKCBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])o1 ZINC000408633958 572290856 /nfs/dbraw/zinc/29/08/56/572290856.db2.gz QJEVZKRFCQSPOM-UDWIEESQSA-N -1 0 516.963 5.515 40 10 KKCBRM CCn1c(S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634476 572291487 /nfs/dbraw/zinc/29/14/87/572291487.db2.gz VBGMLGKAYDTIIW-OYKKKHCWSA-N -1 0 630.508 6.212 40 10 KKCBRM CN(C)c1ccc(N=Nc2ccc(C(=O)NCCCC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2)cc1 ZINC000255972285 572304351 /nfs/dbraw/zinc/30/43/51/572304351.db2.gz FPOPWTDBGMLRNG-MGBGTMOVSA-N -1 0 619.722 7.060 40 10 KKCBRM