smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4cccc(C(=O)[O-])c4C)N(C)C3=O)o2)c(Br)c1 ZINC000408933022 1069756981 /nfs/dbraw/zinc/75/69/81/1069756981.db2.gz GRZGDMTWLZNEKD-XDTDMHIPSA-N -1 0 511.397 6.258 40 30 KKEBRM CN1C(=O)/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409053672 1069770244 /nfs/dbraw/zinc/77/02/44/1069770244.db2.gz GWQMAOBTYABEBP-VNKJZNQASA-N -1 0 573.468 7.113 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000408772415 1069884083 /nfs/dbraw/zinc/88/40/83/1069884083.db2.gz LLOBTMDRZXCQFG-JGYKWZLZSA-N -1 0 618.715 7.078 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)cc2I)cc1 ZINC000408782016 1069906193 /nfs/dbraw/zinc/90/61/93/1069906193.db2.gz VEUSBCAEBJDVRB-JAIQZWGSSA-N -1 0 625.271 6.767 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408790874 1069919845 /nfs/dbraw/zinc/91/98/45/1069919845.db2.gz RSHFVHQTPZKILK-QHCPKHFHSA-N -1 0 733.296 5.914 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)o2)cc1Cl ZINC000408786412 1069921501 /nfs/dbraw/zinc/92/15/01/1069921501.db2.gz JNDYBXQCIBBMNX-ZNFUCCHLSA-N -1 0 514.990 7.102 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408795404 1069927964 /nfs/dbraw/zinc/92/79/64/1069927964.db2.gz LBAQWMFSIDDABZ-FWGBRMSSSA-N -1 0 693.357 6.963 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408795281 1069928029 /nfs/dbraw/zinc/92/80/29/1069928029.db2.gz KUAOLROAUVGZAA-VGSQXBGSSA-N -1 0 573.070 7.403 40 30 KKEBRM C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408822935 1069984213 /nfs/dbraw/zinc/98/42/13/1069984213.db2.gz CVWOPWIYJGBJGF-RFTFYFQISA-N -1 0 623.709 6.251 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1Cl ZINC000408822894 1069984236 /nfs/dbraw/zinc/98/42/36/1069984236.db2.gz MREKOMODLNNFGY-KGENOOAVSA-N -1 0 521.356 5.251 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000408824192 1069991712 /nfs/dbraw/zinc/99/17/12/1069991712.db2.gz GGDBTQZDIHONML-BUVRLJJBSA-N -1 0 589.442 5.414 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408821686 1069998306 /nfs/dbraw/zinc/99/83/06/1069998306.db2.gz AECKISHXALXKLV-OEAKJJBVSA-N -1 0 609.860 5.759 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Cl ZINC000408827467 1070006786 /nfs/dbraw/zinc/00/67/86/1070006786.db2.gz HPIJRMNPJUIHPB-NCAUGAEKSA-N -1 0 507.395 5.671 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000408825192 1070011961 /nfs/dbraw/zinc/01/19/61/1070011961.db2.gz AOBUKHWBAHQCSJ-OEAKJJBVSA-N -1 0 658.876 6.154 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408828665 1070014893 /nfs/dbraw/zinc/01/48/93/1070014893.db2.gz NLNCGCXECBXGGC-FYJGNVAPSA-N -1 0 597.849 5.921 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408836140 1070039608 /nfs/dbraw/zinc/03/96/08/1070039608.db2.gz ZBHUIHFXNDXTLN-FYJGNVAPSA-N -1 0 553.398 5.812 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408844195 1070049477 /nfs/dbraw/zinc/04/94/77/1070049477.db2.gz HGYAAIBPNREQJS-LICLKQGHSA-N -1 0 671.227 8.202 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408847618 1070056433 /nfs/dbraw/zinc/05/64/33/1070056433.db2.gz QSQVIWUHMIALCS-KGENOOAVSA-N -1 0 693.390 7.136 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408851924 1070058812 /nfs/dbraw/zinc/05/88/12/1070058812.db2.gz BQWAMPDDCNWLAS-YRNVUSSQSA-N -1 0 636.092 5.204 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3cccc(C(=O)[O-])c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408858552 1070069909 /nfs/dbraw/zinc/06/99/09/1070069909.db2.gz TVZYNAFPUIJYPF-HQCCHFJCSA-N -1 0 562.691 7.897 40 30 KKEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408854986 1070073246 /nfs/dbraw/zinc/07/32/46/1070073246.db2.gz CFZYZIAXCYEYHQ-STBIYBPSSA-N -1 0 532.640 6.539 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408907645 1070182745 /nfs/dbraw/zinc/18/27/45/1070182745.db2.gz OJSKZAAPVZAULM-RLTFYZJDSA-N -1 0 567.461 5.768 40 30 KKEBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408912475 1070190112 /nfs/dbraw/zinc/19/01/12/1070190112.db2.gz QXOFKOVOCACTCN-ZVERUENYSA-N -1 0 624.241 6.410 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000408909080 1070196537 /nfs/dbraw/zinc/19/65/37/1070196537.db2.gz BYBKTDPIRGSJGH-FXGPLFPQSA-N -1 0 516.619 5.704 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408909023 1070196626 /nfs/dbraw/zinc/19/66/26/1070196626.db2.gz BNUBIJZACDWTQF-PFOCICSFSA-N -1 0 533.444 5.490 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408910716 1070202610 /nfs/dbraw/zinc/20/26/10/1070202610.db2.gz XVDSUFPYLNSXKX-CHWABOMMSA-N -1 0 628.488 6.519 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408910933 1070202760 /nfs/dbraw/zinc/20/27/60/1070202760.db2.gz ICOHZFCEJAJZDB-DPWLTPCDSA-N -1 0 595.515 6.466 40 30 KKEBRM CC[C@@H](C)N1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911797 1070205053 /nfs/dbraw/zinc/20/50/53/1070205053.db2.gz OMVZRLGUSOOKEJ-QSBXPAADSA-N -1 0 580.444 5.474 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408913859 1070212117 /nfs/dbraw/zinc/21/21/17/1070212117.db2.gz RVXMZYRSIMNSKV-ITWWWJCVSA-N -1 0 553.434 6.120 40 30 KKEBRM COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(OC)cc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c2C)c1 ZINC000408931651 1070244084 /nfs/dbraw/zinc/24/40/84/1070244084.db2.gz ONRBIWOQTLIXFR-XHSXDKLNSA-N -1 0 609.704 6.700 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408935725 1070274092 /nfs/dbraw/zinc/27/40/92/1070274092.db2.gz NKYVAFSTXJGZAI-JQSJGLJJSA-N -1 0 665.724 7.422 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2I)cc1 ZINC000408932174 1070278923 /nfs/dbraw/zinc/27/89/23/1070278923.db2.gz UPHFVEVTBCMOED-JVWAILMASA-N -1 0 542.373 5.156 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc43)C(=O)N2C)cccc1C(=O)[O-] ZINC000408942206 1070302100 /nfs/dbraw/zinc/30/21/00/1070302100.db2.gz WRWAXFMXZXMCTN-JQDPYBPBSA-N -1 0 543.044 7.313 40 30 KKEBRM COC(=O)c1ccc(C)c(-c2ccc(/C=C3\S/C(=N\c4ccc(OC)cc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)o2)c1 ZINC000408943764 1070305162 /nfs/dbraw/zinc/30/51/62/1070305162.db2.gz YVCZOKGZWLXESX-GMDZFLHISA-N -1 0 582.634 6.553 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)S2)cc1 ZINC000408952719 1070312962 /nfs/dbraw/zinc/31/29/62/1070312962.db2.gz MHSKXCLZPDNOBX-OEAKJJBVSA-N -1 0 508.983 5.908 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408948859 1070313394 /nfs/dbraw/zinc/31/33/94/1070313394.db2.gz HCVHFMVRGCQEPC-FOKLQQMPSA-N -1 0 549.454 6.140 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408953082 1070315979 /nfs/dbraw/zinc/31/59/79/1070315979.db2.gz OSHVBFHNPAIVSQ-DHRITJCHSA-N -1 0 559.062 5.885 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(Br)cc1OCC(=O)[O-] ZINC000408960728 1070321298 /nfs/dbraw/zinc/32/12/98/1070321298.db2.gz IDSITOBSLQBZKX-FRKPEAEDSA-N -1 0 546.226 5.510 40 30 KKEBRM COc1cc(/C=N\c2ccc(I)cc2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965009 1070330733 /nfs/dbraw/zinc/33/07/33/1070330733.db2.gz FMPRAEQUDMVQCJ-MXAYSNPKSA-N -1 0 501.320 5.636 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408985073 1070344873 /nfs/dbraw/zinc/34/48/73/1070344873.db2.gz UWJDQBIZSJBUJN-OYKKKHCWSA-N -1 0 511.965 5.494 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408991016 1070357333 /nfs/dbraw/zinc/35/73/33/1070357333.db2.gz MJCGXULQOYNDLH-ZRGSRPPYSA-N -1 0 714.162 7.400 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)S2)ccc1Cl ZINC000408993256 1070368281 /nfs/dbraw/zinc/36/82/81/1070368281.db2.gz VIMKLGZWQIRWAZ-QRVIBDJDSA-N -1 0 659.126 7.084 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409012934 1070391062 /nfs/dbraw/zinc/39/10/62/1070391062.db2.gz LPXPLBYUYGUNIC-MWAVMZGNSA-N -1 0 641.746 5.476 40 30 KKEBRM Cc1ccc(COc2c(Cl)cc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1 ZINC000409049833 1070463800 /nfs/dbraw/zinc/46/38/00/1070463800.db2.gz XXAWCBSATIIRSK-UHFFFAOYSA-N -1 0 596.551 7.651 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409060693 1070473644 /nfs/dbraw/zinc/47/36/44/1070473644.db2.gz TTXZWXLCUKMVMC-OEKAEFPPSA-N -1 0 562.445 6.222 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000409064908 1070481058 /nfs/dbraw/zinc/48/10/58/1070481058.db2.gz IZOXOYBMJZSVEA-UHFFFAOYSA-N -1 0 548.079 6.689 40 30 KKEBRM CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409067175 1070483311 /nfs/dbraw/zinc/48/33/11/1070483311.db2.gz PMXFOWMFSOUPLC-UHFFFAOYSA-N -1 0 534.480 6.552 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)C2=C1CC(C)(C)CC2=O ZINC000409067846 1070484617 /nfs/dbraw/zinc/48/46/17/1070484617.db2.gz QDXICGUWNCFUTB-UHFFFAOYSA-N -1 0 527.661 6.669 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccccc1F ZINC000409074748 1070487605 /nfs/dbraw/zinc/48/76/05/1070487605.db2.gz VIEGAGGVUKPPMX-UHFFFAOYSA-N -1 0 545.607 5.640 40 30 KKEBRM C=CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409075455 1070488367 /nfs/dbraw/zinc/48/83/67/1070488367.db2.gz VRLXDDKHMOEEPQ-LICLKQGHSA-N -1 0 647.228 5.395 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccccc3)c(Br)c2)C2=C1CCCC2=O ZINC000409075785 1070489337 /nfs/dbraw/zinc/48/93/37/1070489337.db2.gz UEYWVZOJGWGFFT-UHFFFAOYSA-N -1 0 629.345 6.679 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCCC ZINC000409070913 1070496247 /nfs/dbraw/zinc/49/62/47/1070496247.db2.gz HIQYXEBMTALMEP-XSFVSMFZSA-N -1 0 513.388 5.032 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccccc1 ZINC000409071170 1070497145 /nfs/dbraw/zinc/49/71/45/1070497145.db2.gz FNNQSJSCDSMXNC-UHFFFAOYSA-N -1 0 611.779 7.553 40 30 KKEBRM C=CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OCC ZINC000409071657 1070497661 /nfs/dbraw/zinc/49/76/61/1070497661.db2.gz KWPOKHVOOJWOJT-UHFFFAOYSA-N -1 0 591.442 5.143 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1cccc(F)c1 ZINC000409072221 1070498375 /nfs/dbraw/zinc/49/83/75/1070498375.db2.gz MPWQQNINUPWYLP-UHFFFAOYSA-N -1 0 624.149 7.617 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000409072597 1070499035 /nfs/dbraw/zinc/49/90/35/1070499035.db2.gz CTPGYVKBLLBFGY-UHFFFAOYSA-N -1 0 596.551 7.733 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409073098 1070499805 /nfs/dbraw/zinc/49/98/05/1070499805.db2.gz OUVOCHCNEFRZQW-UHFFFAOYSA-N -1 0 661.920 6.420 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409074387 1070501085 /nfs/dbraw/zinc/50/10/85/1070501085.db2.gz QPTPSJWJCCVZCB-UHFFFAOYSA-N -1 0 637.511 5.095 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086422 1070518954 /nfs/dbraw/zinc/51/89/54/1070518954.db2.gz DRRYSDJLUSATEM-UHFFFAOYSA-N -1 0 782.550 8.179 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409088048 1070521864 /nfs/dbraw/zinc/52/18/64/1070521864.db2.gz VWJOWVCFFFSRDN-FFCNRAIOSA-N -1 0 590.381 8.133 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)cc(Cl)c3[O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409089291 1070523478 /nfs/dbraw/zinc/52/34/78/1070523478.db2.gz ZVEFBAJIZCHXPK-SWPMEYALSA-N -1 0 538.283 8.431 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409143495 1070571615 /nfs/dbraw/zinc/57/16/15/1070571615.db2.gz MJTKHNXRRCXPKD-DJKKODMXSA-N -1 0 508.379 5.430 40 30 KKEBRM Cc1ccccc1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409218155 1070640969 /nfs/dbraw/zinc/64/09/69/1070640969.db2.gz YYBXFXFZJZUMIY-BRJLIKDPSA-N -1 0 503.190 6.548 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409275882 1070720333 /nfs/dbraw/zinc/72/03/33/1070720333.db2.gz MLISSYPJJJYYOY-UHFFFAOYSA-N -1 0 606.635 6.572 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409281552 1070731696 /nfs/dbraw/zinc/73/16/96/1070731696.db2.gz MWYFIHTVEBXNBZ-UHFFFAOYSA-N -1 0 601.679 5.443 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC000409282013 1070732777 /nfs/dbraw/zinc/73/27/77/1070732777.db2.gz NUGLITNQXNXIAR-NSHDSACASA-N -1 0 630.131 5.716 40 30 KKEBRM O=C([O-])c1ccccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)o1 ZINC000409282553 1070733847 /nfs/dbraw/zinc/73/38/47/1070733847.db2.gz PTIABXJNTUNLLM-UHFFFAOYSA-N -1 0 509.905 6.304 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409282662 1070734459 /nfs/dbraw/zinc/73/44/59/1070734459.db2.gz NNQBWKVDWNJJBP-UHFFFAOYSA-N -1 0 585.798 5.442 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409282737 1070734977 /nfs/dbraw/zinc/73/49/77/1070734977.db2.gz QGORJVXVNIOQIO-SNVBAGLBSA-N -1 0 632.103 5.125 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409282895 1070735378 /nfs/dbraw/zinc/73/53/78/1070735378.db2.gz HURBUYSVTSSAPP-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409283631 1070737591 /nfs/dbraw/zinc/73/75/91/1070737591.db2.gz RISXLGMARMUWJC-UHFFFAOYSA-N -1 0 535.442 5.753 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1O[C@H](C)C(=O)[O-] ZINC000409284861 1070740618 /nfs/dbraw/zinc/74/06/18/1070740618.db2.gz VLTTWURXLGCHBN-HXUWFJFHSA-N -1 0 543.620 5.637 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409284807 1070740712 /nfs/dbraw/zinc/74/07/12/1070740712.db2.gz RTMLJEJHLPUXST-UHFFFAOYSA-N -1 0 615.278 5.652 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409284243 1070739111 /nfs/dbraw/zinc/73/91/11/1070739111.db2.gz UTRIXFGDGAVMPR-UHFFFAOYSA-N -1 0 552.590 6.702 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409285030 1070741138 /nfs/dbraw/zinc/74/11/38/1070741138.db2.gz SMQIYTIRPNKVPP-OAHLLOKOSA-N -1 0 702.299 6.310 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br ZINC000409285199 1070741807 /nfs/dbraw/zinc/74/18/07/1070741807.db2.gz VRARWKHHLSIJDQ-UHFFFAOYSA-N -1 0 631.664 6.334 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409294132 1070749317 /nfs/dbraw/zinc/74/93/17/1070749317.db2.gz LIQQBLCQSWMEAN-UHFFFAOYSA-N -1 0 662.278 5.630 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cc1C(C)C ZINC000409286781 1070753399 /nfs/dbraw/zinc/75/33/99/1070753399.db2.gz ZRIZAAZVMBQKDA-UHFFFAOYSA-N -1 0 562.670 6.800 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)cc1C(C)C ZINC000409287756 1070755575 /nfs/dbraw/zinc/75/55/75/1070755575.db2.gz YWNPGYCNWSXCKS-UHFFFAOYSA-N -1 0 654.561 7.816 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409289666 1070760620 /nfs/dbraw/zinc/76/06/20/1070760620.db2.gz HLBXGTUDIJZMEY-UHFFFAOYSA-N -1 0 636.964 6.332 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409290784 1070763179 /nfs/dbraw/zinc/76/31/79/1070763179.db2.gz AXMSKAZBAXQNNF-GOSISDBHSA-N -1 0 671.386 7.153 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1I)C(=O)[O-] ZINC000409295531 1070764661 /nfs/dbraw/zinc/76/46/61/1070764661.db2.gz FOGSJHSNVMVYLN-CQSZACIVSA-N -1 0 607.326 5.421 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409298056 1070770100 /nfs/dbraw/zinc/77/01/00/1070770100.db2.gz VSVGTJSTQRCXKH-IBGZPJMESA-N -1 0 588.617 5.545 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000409301568 1070778779 /nfs/dbraw/zinc/77/87/79/1070778779.db2.gz ATOGIVVIVNHKQG-UHFFFAOYSA-N -1 0 515.997 6.257 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409302469 1070780951 /nfs/dbraw/zinc/78/09/51/1070780951.db2.gz GAIQCPJVCQFKON-HNNXBMFYSA-N -1 0 609.376 5.157 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409309276 1070789665 /nfs/dbraw/zinc/78/96/65/1070789665.db2.gz DUCHRRKRGXMJAI-UHFFFAOYSA-N -1 0 678.106 6.004 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409308319 1070787620 /nfs/dbraw/zinc/78/76/20/1070787620.db2.gz XAPGZAXDOAITEJ-INIZCTEOSA-N -1 0 576.403 5.705 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)n(Cc3cccc(C(=O)[O-])c3)c3ccccc23)cc1C(C)C ZINC000409305433 1070800009 /nfs/dbraw/zinc/80/00/09/1070800009.db2.gz NCCOXJGALAHOCX-UHFFFAOYSA-N -1 0 612.730 7.786 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409320138 1070807167 /nfs/dbraw/zinc/80/71/67/1070807167.db2.gz PGNHSDQNCKBUEL-UHFFFAOYSA-N -1 0 578.463 6.060 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409315570 1070817440 /nfs/dbraw/zinc/81/74/40/1070817440.db2.gz VZWGCRGVNPNTGD-RYUDHWBXSA-N -1 0 615.706 5.831 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409324584 1070841115 /nfs/dbraw/zinc/84/11/15/1070841115.db2.gz UGOGEMZJSNMFFI-KRWDZBQOSA-N -1 0 657.359 6.993 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409326173 1070844626 /nfs/dbraw/zinc/84/46/26/1070844626.db2.gz HTNHHMQAKMPPSW-ZDUSSCGKSA-N -1 0 656.169 6.466 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409373223 1070896326 /nfs/dbraw/zinc/89/63/26/1070896326.db2.gz FXYWCUYNDBPEMW-WGOQTCKBSA-N -1 0 522.557 5.411 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409373353 1070897016 /nfs/dbraw/zinc/89/70/16/1070897016.db2.gz HRBNHVOLZBTWQE-WSDLNYQXSA-N -1 0 555.414 5.955 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409374306 1070897436 /nfs/dbraw/zinc/89/74/36/1070897436.db2.gz MAFWNJHWNYLCFK-HYARGMPZSA-N -1 0 520.969 5.301 40 30 KKEBRM N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408903688 1070903268 /nfs/dbraw/zinc/90/32/68/1070903268.db2.gz WJFZMWQWMQWLGJ-MFKUBSTISA-N -1 0 552.384 5.719 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386692 1070908240 /nfs/dbraw/zinc/90/82/40/1070908240.db2.gz WSFFAJWVKUGBSM-FSGBDAEFSA-N -1 0 530.558 5.963 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387330 1070909066 /nfs/dbraw/zinc/90/90/66/1070909066.db2.gz VOYJHKFNCQOVPC-RRJNRBSKSA-N -1 0 567.736 7.537 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(OCc4ccccc4C#N)ccc4ccccc43)C2=O)c1 ZINC000408901163 1070925242 /nfs/dbraw/zinc/92/52/42/1070925242.db2.gz WMNODYNDYHVKGB-JVWAILMASA-N -1 0 501.542 5.574 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000255976764 1070936101 /nfs/dbraw/zinc/93/61/01/1070936101.db2.gz HMMGKOVEOFBCAU-CEIDZLBLSA-N -1 0 512.731 6.839 40 30 KKEBRM C=C(C)[C@H]1C[C@@H](c2cccc(Cl)c2)[C@H](C(C)C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263877 1070985101 /nfs/dbraw/zinc/98/51/01/1070985101.db2.gz AXRMRGFCJAKVDS-ZYMFSFAHSA-N -1 0 553.526 8.662 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263893 1070985766 /nfs/dbraw/zinc/98/57/66/1070985766.db2.gz CGTOVIZZUMDLJE-NCFYCBOVSA-N -1 0 525.472 8.026 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1c(C)cccc1C ZINC000408908328 1070985916 /nfs/dbraw/zinc/98/59/16/1070985916.db2.gz RLWZSLPTAFPQFI-QGMASGCISA-N -1 0 566.417 5.004 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1cc(C)ccc1C ZINC000408907841 1070987702 /nfs/dbraw/zinc/98/77/02/1070987702.db2.gz PFOIVHJKYYDSSN-HBAVDNSESA-N -1 0 510.251 6.158 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585266377 1070989627 /nfs/dbraw/zinc/98/96/27/1070989627.db2.gz VAQOLGGXPJAITF-JFIAXGOJSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)O[C@@H]1c1cc(OC)ccc1OCC(=O)[O-] ZINC000585266270 1070992464 /nfs/dbraw/zinc/99/24/64/1070992464.db2.gz DUYHBRYKSVEQOT-YQHHHJOQSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)O[C@@H]1c1cccc(OC)c1OCC(=O)[O-] ZINC000585266261 1070992484 /nfs/dbraw/zinc/99/24/84/1070992484.db2.gz AXQPBRUKYGXEEW-JFIAXGOJSA-N -1 0 523.025 6.999 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408916650 1070999687 /nfs/dbraw/zinc/99/96/87/1070999687.db2.gz FPVBNXINUPORLF-WQCVWPLISA-N -1 0 673.585 7.938 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](c2cccc(F)c2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585267635 1071006195 /nfs/dbraw/zinc/00/61/95/1071006195.db2.gz RALKUNQPBHDNJG-JFIAXGOJSA-N -1 0 510.989 7.130 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408914592 1071012373 /nfs/dbraw/zinc/01/23/73/1071012373.db2.gz YNHQHPHYJDWACD-SYCUJBBPSA-N -1 0 614.461 6.189 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)cc(Br)c3[O-])C(=O)N2Cc2ccccc2)cc1 ZINC000408914378 1071012810 /nfs/dbraw/zinc/01/28/10/1071012810.db2.gz UROJXORVZLAJSG-ISHFRVPGSA-N -1 0 558.295 7.030 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2ccc(F)cc2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585268016 1071013451 /nfs/dbraw/zinc/01/34/51/1071013451.db2.gz UJHZPBKVOQDOCD-VZTBDOQQSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](c2ccc(OC)cc2)O[C@@H]1c1cc(F)cc(Cl)c1OCC(=O)[O-] ZINC000585268047 1071013835 /nfs/dbraw/zinc/01/38/35/1071013835.db2.gz VAPDNHVQZUAVAT-IJEQNIMCSA-N -1 0 510.989 7.130 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)ccc1OCC(=O)[O-] ZINC000408913087 1071019850 /nfs/dbraw/zinc/01/98/50/1071019850.db2.gz PKLHYAYXJPUPNQ-WZNPNLAZSA-N -1 0 508.640 6.048 40 30 KKEBRM Cc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408917274 1071069268 /nfs/dbraw/zinc/06/92/68/1071069268.db2.gz QEFMYFLCSJLOFN-BCYFLRKYSA-N -1 0 542.060 7.250 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408919180 1071121363 /nfs/dbraw/zinc/12/13/63/1071121363.db2.gz UMPNDKJLBKGCJC-YPFXPHMASA-N -1 0 674.529 7.447 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408918593 1071134193 /nfs/dbraw/zinc/13/41/93/1071134193.db2.gz MJECAXLLTJWSDB-CIRBIFNISA-N -1 0 708.549 7.910 40 30 KKEBRM Cc1cccc(COc2c(Br)cc(/C=C3\S/C(=N/c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)cc2Br)c1 ZINC000408917443 1071145936 /nfs/dbraw/zinc/14/59/36/1071145936.db2.gz UNJRFYSHPCIQLV-KINCXPHCSA-N -1 0 692.429 8.601 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408917490 1071146554 /nfs/dbraw/zinc/14/65/54/1071146554.db2.gz VMIPTKWIRIFHJJ-DTMSTYLHSA-N -1 0 759.449 9.078 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931686 1071150544 /nfs/dbraw/zinc/15/05/44/1071150544.db2.gz OXRHTTDJAPZYEU-JQDPYBPBSA-N -1 0 559.043 7.419 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408931678 1071150577 /nfs/dbraw/zinc/15/05/77/1071150577.db2.gz OUZAMTVJEDWEMD-KNFKSGQGSA-N -1 0 704.393 6.665 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931481 1071151128 /nfs/dbraw/zinc/15/11/28/1071151128.db2.gz MEVYZQLYLFGSAA-IKCGKLFZSA-N -1 0 763.610 7.137 40 30 KKEBRM C#CCOc1cc(Br)c(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1OCC ZINC000408931240 1071154503 /nfs/dbraw/zinc/15/45/03/1071154503.db2.gz IVICRPHPUCBDEJ-IMJVWOFVSA-N -1 0 529.412 5.100 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)cc(I)c3O)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931225 1071153748 /nfs/dbraw/zinc/15/37/48/1071153748.db2.gz IQDFJUOQPLLAJO-WPDXGQDKSA-N -1 0 620.852 6.161 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408929546 1071168251 /nfs/dbraw/zinc/16/82/51/1071168251.db2.gz KUBCVCIVUAFRDR-NBBXONKTSA-N -1 0 638.540 5.805 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929006 1071175993 /nfs/dbraw/zinc/17/59/93/1071175993.db2.gz OHLKHCKUCUFTFZ-KAOCIJRYSA-N -1 0 534.465 6.071 40 30 KKEBRM CC[C@H](C)Oc1c(I)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408935773 1071220475 /nfs/dbraw/zinc/22/04/75/1071220475.db2.gz NQHQTNPEQFEJIY-NMOUGFBSSA-N -1 0 672.541 6.988 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408933377 1071241304 /nfs/dbraw/zinc/24/13/04/1071241304.db2.gz IZMKKZNEJVOFAP-QEMXZNORSA-N -1 0 583.062 5.885 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408932089 1071254736 /nfs/dbraw/zinc/25/47/36/1071254736.db2.gz TVEYJHLSCQVRHV-ICEIDMMXSA-N -1 0 646.478 6.648 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408943888 1071260553 /nfs/dbraw/zinc/26/05/53/1071260553.db2.gz ZKNCHKSGFVFDLY-ILMQGGHASA-N -1 0 549.561 5.123 40 30 KKEBRM O=C([O-])/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000604221810 1071267806 /nfs/dbraw/zinc/26/78/06/1071267806.db2.gz OGNPKTMXAFCAFU-UPHRSURJSA-N -1 0 558.106 6.569 40 30 KKEBRM O=C([O-])/C=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000604221809 1071267825 /nfs/dbraw/zinc/26/78/25/1071267825.db2.gz OGNPKTMXAFCAFU-OWOJBTEDSA-N -1 0 558.106 6.569 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408939783 1071320380 /nfs/dbraw/zinc/32/03/80/1071320380.db2.gz UILGWZUDWFSAEB-PGQFDHEXSA-N -1 0 620.558 8.220 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408940468 1071317179 /nfs/dbraw/zinc/31/71/79/1071317179.db2.gz UQSXMVGWJNQBPZ-WNYGRBKJSA-N -1 0 687.612 8.246 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408937993 1071336359 /nfs/dbraw/zinc/33/63/59/1071336359.db2.gz RJMBBXYPMVYUOQ-GJDRURRNSA-N -1 0 598.652 6.924 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408952786 1071342936 /nfs/dbraw/zinc/34/29/36/1071342936.db2.gz MUMQFAHWFYQCQE-LPYMAVHISA-N -1 0 632.330 6.779 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408937389 1071342000 /nfs/dbraw/zinc/34/20/00/1071342000.db2.gz QNWJFORZZFWMGO-MHJLENRISA-N -1 0 727.593 7.971 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408952539 1071345257 /nfs/dbraw/zinc/34/52/57/1071345257.db2.gz OFTAKRYEXYBAQO-KVSWJAHQSA-N -1 0 715.442 7.796 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCC ZINC000408947780 1071369762 /nfs/dbraw/zinc/36/97/62/1071369762.db2.gz DDPPELLDNAUCKJ-LQKURTRISA-N -1 0 554.687 6.347 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408947326 1071372166 /nfs/dbraw/zinc/37/21/66/1071372166.db2.gz BZOXJNGVQLFNQG-IPPBACCNSA-N -1 0 636.546 7.034 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408955855 1071381311 /nfs/dbraw/zinc/38/13/11/1071381311.db2.gz UWJPEONYPRWREM-FJEPWZHXSA-N -1 0 671.621 8.444 40 30 KKEBRM Cc1c(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408955098 1071386036 /nfs/dbraw/zinc/38/60/36/1071386036.db2.gz WDORUXPXNMAJIG-QDTXFXTASA-N -1 0 500.168 5.045 40 30 KKEBRM COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408955112 1071386076 /nfs/dbraw/zinc/38/60/76/1071386076.db2.gz WHRMEVMNVFENJR-YHEUAIPESA-N -1 0 509.587 5.988 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408962986 1071403135 /nfs/dbraw/zinc/40/31/35/1071403135.db2.gz WTZNDNFYIXRERR-BUVRLJJBSA-N -1 0 504.564 5.263 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408964978 1071416441 /nfs/dbraw/zinc/41/64/41/1071416441.db2.gz JIBWGPRQFYBXSZ-OVCLIPMQSA-N -1 0 501.775 5.401 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)S2)cc1 ZINC000408962078 1071428324 /nfs/dbraw/zinc/42/83/24/1071428324.db2.gz PPJOYLVWLWGSDC-CIAFOILYSA-N -1 0 513.402 6.471 40 30 KKEBRM CCOC(=O)c1ccc(N=C2S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000408960246 1071432650 /nfs/dbraw/zinc/43/26/50/1071432650.db2.gz KDLWTZUMDJBVQI-VYKPKEDGSA-N -1 0 516.575 5.374 40 30 KKEBRM CCOc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2CC)cc1 ZINC000408959559 1071436439 /nfs/dbraw/zinc/43/64/39/1071436439.db2.gz AZHHGNOFNLIXAK-KSVGNYRWSA-N -1 0 502.592 5.986 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(I)c1OCC(=O)[O-] ZINC000408971085 1071453196 /nfs/dbraw/zinc/45/31/96/1071453196.db2.gz LUHDKXZVJWXRTK-WKULSOCRSA-N -1 0 618.493 6.487 40 30 KKEBRM CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(I)c1OCC(=O)[O-] ZINC000408970680 1071454306 /nfs/dbraw/zinc/45/43/06/1071454306.db2.gz BWFHQNGLOYYVRV-OKCVXOCRSA-N -1 0 632.520 6.877 40 30 KKEBRM C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000408970252 1071456714 /nfs/dbraw/zinc/45/67/14/1071456714.db2.gz DOKNCKMEXPWLII-IMRQLAEWSA-N -1 0 540.666 6.553 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000408968563 1071461356 /nfs/dbraw/zinc/46/13/56/1071461356.db2.gz XHUGWPXULPTOSY-LGSKZASQSA-N -1 0 501.652 6.714 40 30 KKEBRM COc1cc(/C=N\c2ccc(I)c(C)c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967847 1071465023 /nfs/dbraw/zinc/46/50/23/1071465023.db2.gz VGQONVHQXXMXSG-MXAYSNPKSA-N -1 0 501.320 5.636 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408984055 1071512679 /nfs/dbraw/zinc/51/26/79/1071512679.db2.gz PNIGHPUBGACXND-XKZIYDEJSA-N -1 0 565.851 6.385 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408982561 1071524591 /nfs/dbraw/zinc/52/45/91/1071524591.db2.gz HSDPTYNENHNMOO-QRVIBDJDSA-N -1 0 621.431 5.369 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408983092 1071521925 /nfs/dbraw/zinc/52/19/25/1071521925.db2.gz KIIJMAHSGPTBCS-UUYOSTAYSA-N -1 0 583.841 6.524 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c([O-])c(I)c3)S2)c(C)c1 ZINC000408723783 1071527064 /nfs/dbraw/zinc/52/70/64/1071527064.db2.gz LZRSMZVYNJEYIC-OVCLIPMQSA-N -1 0 576.197 5.110 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1Cl ZINC000408981643 1071533661 /nfs/dbraw/zinc/53/36/61/1071533661.db2.gz CDHVPZSGEZIODG-UWVJOHFNSA-N -1 0 585.241 6.181 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408722235 1071533794 /nfs/dbraw/zinc/53/37/94/1071533794.db2.gz FPDQMULGMDNBAD-RIYZIHGNSA-N -1 0 556.663 5.261 40 30 KKEBRM CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(Br)cc(Br)c2[O-])cc1 ZINC000408720502 1071544103 /nfs/dbraw/zinc/54/41/03/1071544103.db2.gz RTUJWKWDUYLMAH-DHRITJCHSA-N -1 0 514.221 6.049 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408994353 1071559442 /nfs/dbraw/zinc/55/94/42/1071559442.db2.gz YTBJGDDUHAZLIV-XYGWBWBKSA-N -1 0 514.553 5.371 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408994375 1071558363 /nfs/dbraw/zinc/55/83/63/1071558363.db2.gz ZCPORDWVUBMRLP-XYGWBWBKSA-N -1 0 514.553 5.371 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408993292 1071566624 /nfs/dbraw/zinc/56/66/24/1071566624.db2.gz WBDKSZXDBZZLCN-UUYOSTAYSA-N -1 0 691.747 6.989 40 30 KKEBRM CCOc1ccc2nc(Sc3ccc(/C=C4\SC(=Nc5ccc(Cl)c(C(=O)[O-])c5)NC4=O)o3)sc2c1 ZINC000408993326 1071567260 /nfs/dbraw/zinc/56/72/60/1071567260.db2.gz VNVMVVNKDPNMHU-ODLFYWEKSA-N -1 0 558.062 6.682 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=N/N(c3ccccc3)c3ccccc3)cc2I)cc1 ZINC000408992756 1071571139 /nfs/dbraw/zinc/57/11/39/1071571139.db2.gz BOFJGSFTYWWDLS-OCSSWDANSA-N -1 0 674.276 7.345 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408991968 1071576227 /nfs/dbraw/zinc/57/62/27/1071576227.db2.gz RVBGFXNCLFSAKR-UUYOSTAYSA-N -1 0 599.898 7.328 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408989583 1071595795 /nfs/dbraw/zinc/59/57/95/1071595795.db2.gz IPBVZFOPIZXRBJ-ZMFRSBBQSA-N -1 0 679.717 6.746 40 30 KKEBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(O)c(C(=O)[O-])c3)c2-c2ccccc2)cc1 ZINC000408742858 1071619480 /nfs/dbraw/zinc/61/94/80/1071619480.db2.gz QEUZKJCCUZPNGL-QNKGDIEWSA-N -1 0 502.570 7.364 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000408740598 1071629706 /nfs/dbraw/zinc/62/97/06/1071629706.db2.gz HHSHTYDLVGHJMW-KEBDBYFISA-N -1 0 597.288 5.494 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000409005015 1071631589 /nfs/dbraw/zinc/63/15/89/1071631589.db2.gz CUOUOYPUZLDVDA-JLPGSUDCSA-N -1 0 543.597 5.134 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408757138 1071633174 /nfs/dbraw/zinc/63/31/74/1071633174.db2.gz XIYHFIWBQVZYND-HZHRSRAPSA-N -1 0 549.396 5.871 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408756645 1071637725 /nfs/dbraw/zinc/63/77/25/1071637725.db2.gz SZDYKODNQLMXPR-OEAKJJBVSA-N -1 0 640.328 6.503 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408756295 1071638914 /nfs/dbraw/zinc/63/89/14/1071638914.db2.gz REISTZZBGPUVCX-YDZHTSKRSA-N -1 0 644.349 7.437 40 30 KKEBRM C=CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408754960 1071647743 /nfs/dbraw/zinc/64/77/43/1071647743.db2.gz SWEGODKMMIIHAS-XSFVSMFZSA-N -1 0 525.399 5.116 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408999742 1071653681 /nfs/dbraw/zinc/65/36/81/1071653681.db2.gz SETSJXBCVLDCCU-XKZIYDEJSA-N -1 0 726.330 6.463 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000408998660 1071657799 /nfs/dbraw/zinc/65/77/99/1071657799.db2.gz RSBQUDITCLGPHT-HAHDFKILSA-N -1 0 566.031 6.169 40 30 KKEBRM N#CCSc1nc2ccc(NC(=O)c3c(Br)c(Br)c(Br)c(Br)c3C(=O)[O-])cc2s1 ZINC000408749457 1071684417 /nfs/dbraw/zinc/68/44/17/1071684417.db2.gz GZNXTWOGIDUBRX-UHFFFAOYSA-N -1 0 685.011 6.912 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc1Br ZINC000408749225 1071687328 /nfs/dbraw/zinc/68/73/28/1071687328.db2.gz LRTYAHPACCBPKN-MKMNVTDBSA-N -1 0 638.075 5.171 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408760913 1071695795 /nfs/dbraw/zinc/69/57/95/1071695795.db2.gz AWFQFDUAVOXDNN-BUVRLJJBSA-N -1 0 609.904 6.784 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408760767 1071696363 /nfs/dbraw/zinc/69/63/63/1071696363.db2.gz FRYGDGPNCQAWKQ-BUVRLJJBSA-N -1 0 620.456 6.038 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409008007 1071701669 /nfs/dbraw/zinc/70/16/69/1071701669.db2.gz UJVOGINQESTMQQ-JLPGSUDCSA-N -1 0 543.597 5.134 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c([O-])c(I)c3)S2)cc(C)c1Br ZINC000408758307 1071705600 /nfs/dbraw/zinc/70/56/00/1071705600.db2.gz IPJKZVMPHCMHRJ-AUWJEWJLSA-N -1 0 608.093 6.030 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccccc2)C2=C1CCCC2=O ZINC000409024569 1071711793 /nfs/dbraw/zinc/71/17/93/1071711793.db2.gz DXBBKMOEYWHOOK-UHFFFAOYSA-N -1 0 615.318 6.289 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409022123 1071719732 /nfs/dbraw/zinc/71/97/32/1071719732.db2.gz FJIVRINHHBREGH-FZPRHHONSA-N -1 0 672.585 7.330 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409020760 1071725664 /nfs/dbraw/zinc/72/56/64/1071725664.db2.gz SWPZEZOOHHWRBY-YRTYMPHOSA-N -1 0 566.260 7.338 40 30 KKEBRM Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc3c2CCCCCC3)c1 ZINC000409019339 1071729557 /nfs/dbraw/zinc/72/95/57/1071729557.db2.gz WJHTTZBQGSPBDT-KCSSXMTESA-N -1 0 526.658 7.985 40 30 KKEBRM Cc1ccc(NC(=O)c2c(/N=C/c3cc(Br)c([O-])c(Br)c3)sc3c2CCCCCC3)cc1C ZINC000409018329 1071732519 /nfs/dbraw/zinc/73/25/19/1071732519.db2.gz UNPSIJFJPXDQMD-IPPBACCNSA-N -1 0 590.381 8.257 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408776506 1071749886 /nfs/dbraw/zinc/74/98/86/1071749886.db2.gz OSSWIEYAINBTFI-OEAKJJBVSA-N -1 0 565.851 6.385 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408776302 1071750429 /nfs/dbraw/zinc/75/04/29/1071750429.db2.gz YJCXWEWYWOHYKH-KDNBERQASA-N -1 0 530.646 5.863 40 30 KKEBRM COc1ccc(/C=C2\SC(=Nc3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)NC2=O)cc1C(=O)[O-] ZINC000408775178 1071756837 /nfs/dbraw/zinc/75/68/37/1071756837.db2.gz ZOFIRSLEEFGWAD-DAXNZSOHSA-N -1 0 601.728 7.163 40 30 KKEBRM COc1ccc(/C=C2\SC(=Nc3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)NC2=O)cc1C(=O)[O-] ZINC000408775190 1071756955 /nfs/dbraw/zinc/75/69/55/1071756955.db2.gz ZOFIRSLEEFGWAD-NQVAYNGISA-N -1 0 601.728 7.163 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br)C(=O)[O-] ZINC000409281029 1071758276 /nfs/dbraw/zinc/75/82/76/1071758276.db2.gz KEAZFLXAUOOUCP-AWEZNQCLSA-N -1 0 560.326 5.579 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408774729 1071759496 /nfs/dbraw/zinc/75/94/96/1071759496.db2.gz CQEUQOSEUCBUFV-OEAKJJBVSA-N -1 0 610.302 6.494 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408773964 1071764008 /nfs/dbraw/zinc/76/40/08/1071764008.db2.gz KITRWNDAGOIOEF-PCLIKHOPSA-N -1 0 541.560 5.276 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409280528 1071763977 /nfs/dbraw/zinc/76/39/77/1071763977.db2.gz BPHHNHRGVUJNFZ-UHFFFAOYSA-N -1 0 680.147 6.160 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409280575 1071765031 /nfs/dbraw/zinc/76/50/31/1071765031.db2.gz JLQBDROPOIKZAC-UHFFFAOYSA-N -1 0 637.490 6.798 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409280658 1071766873 /nfs/dbraw/zinc/76/68/73/1071766873.db2.gz BWJSNFZQOHDTLG-UHFFFAOYSA-N -1 0 585.252 5.643 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408772484 1071772860 /nfs/dbraw/zinc/77/28/60/1071772860.db2.gz LYDDYRHWAZQRFQ-OEAKJJBVSA-N -1 0 657.302 6.336 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC000409280224 1071774321 /nfs/dbraw/zinc/77/43/21/1071774321.db2.gz AWUKPYAOWVEJME-UHFFFAOYSA-N -1 0 649.723 6.305 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408772067 1071776197 /nfs/dbraw/zinc/77/61/97/1071776197.db2.gz KCDPDGHBHTXMHF-LQKURTRISA-N -1 0 551.002 5.865 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000409279731 1071780885 /nfs/dbraw/zinc/78/08/85/1071780885.db2.gz IAMRBGXMBLMUAZ-LLVKDONJSA-N -1 0 527.202 5.323 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Br)cc1 ZINC000409279776 1071781965 /nfs/dbraw/zinc/78/19/65/1071781965.db2.gz JTBDTUDXEMMFSS-UHFFFAOYSA-N -1 0 594.893 7.020 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1I ZINC000408770906 1071783841 /nfs/dbraw/zinc/78/38/41/1071783841.db2.gz CGDNTXWYXQZAFS-AUWJEWJLSA-N -1 0 685.075 5.013 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br ZINC000409279492 1071787230 /nfs/dbraw/zinc/78/72/30/1071787230.db2.gz HURHTFUXORAXQX-UHFFFAOYSA-N -1 0 597.219 5.680 40 30 KKEBRM C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409279498 1071787243 /nfs/dbraw/zinc/78/72/43/1071787243.db2.gz HUYVIBFVTGWXOF-UHFFFAOYSA-N -1 0 590.474 6.008 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000409278989 1071792978 /nfs/dbraw/zinc/79/29/78/1071792978.db2.gz GAKPTDIBTWSZPQ-UHFFFAOYSA-N -1 0 667.394 6.912 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409030620 1071795706 /nfs/dbraw/zinc/79/57/06/1071795706.db2.gz GSDLJUSJBACUOP-UHFFFAOYSA-N -1 0 558.675 6.627 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c([O-])c(I)c3)cc21 ZINC000409278895 1071796547 /nfs/dbraw/zinc/79/65/47/1071796547.db2.gz FTUXQJCWANDTFD-UHFFFAOYSA-N -1 0 663.209 5.615 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000409278706 1071798530 /nfs/dbraw/zinc/79/85/30/1071798530.db2.gz FMPVPEWWEXXGKR-UHFFFAOYSA-N -1 0 528.790 5.950 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409278296 1071806496 /nfs/dbraw/zinc/80/64/96/1071806496.db2.gz CPRGFRGTWODTJV-UHFFFAOYSA-N -1 0 657.359 6.777 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409277951 1071810409 /nfs/dbraw/zinc/81/04/09/1071810409.db2.gz CAUDIDKYMPNNRD-UHFFFAOYSA-N -1 0 570.443 6.595 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000408781861 1071814453 /nfs/dbraw/zinc/81/44/53/1071814453.db2.gz FLJGFGYGCWICBT-VFHDLGNDSA-N -1 0 520.610 6.768 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408780775 1071821131 /nfs/dbraw/zinc/82/11/31/1071821131.db2.gz KDSXYUZKWMSEHE-KEBDBYFISA-N -1 0 522.344 5.119 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408780975 1071821414 /nfs/dbraw/zinc/82/14/14/1071821414.db2.gz OYSRWXWSSISVPH-ZMOGYAJESA-N -1 0 540.572 5.015 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1C(C)C ZINC000409293965 1071822943 /nfs/dbraw/zinc/82/29/43/1071822943.db2.gz MQBZNIQNVXZATC-FQEVSTJZSA-N -1 0 513.594 5.628 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409293872 1071826733 /nfs/dbraw/zinc/82/67/33/1071826733.db2.gz MEFYMMYXZWGPET-UHFFFAOYSA-N -1 0 646.130 5.336 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408778704 1071835956 /nfs/dbraw/zinc/83/59/56/1071835956.db2.gz WYLDRPJNMOUTJK-ZVHZXABRSA-N -1 0 527.964 5.194 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409293246 1071837909 /nfs/dbraw/zinc/83/79/09/1071837909.db2.gz JTXRAODWMHLRJN-SFHVURJKSA-N -1 0 523.545 5.281 40 30 KKEBRM Cc1ccc(COc2c(Cl)cc(C3C4=C(CCCC4=O)N(CC(=O)[O-])C4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000409045666 1071839607 /nfs/dbraw/zinc/83/96/07/1071839607.db2.gz HBDZTHXLPOBKLK-UHFFFAOYSA-N -1 0 540.443 6.379 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)ccc3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409292865 1071847396 /nfs/dbraw/zinc/84/73/96/1071847396.db2.gz IIDNUAGCFISHKM-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409292118 1071860667 /nfs/dbraw/zinc/86/06/67/1071860667.db2.gz SBYGUPVJFQHDRK-HNNXBMFYSA-N -1 0 592.402 5.324 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409291755 1071871457 /nfs/dbraw/zinc/87/14/57/1071871457.db2.gz BSAIKZSKHVYOHX-CQSZACIVSA-N -1 0 577.347 5.215 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291868 1071867446 /nfs/dbraw/zinc/86/74/46/1071867446.db2.gz CCHMVLSWYBUAJE-UHFFFAOYSA-N -1 0 594.023 7.021 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000409291889 1071868073 /nfs/dbraw/zinc/86/80/73/1071868073.db2.gz CDVMQZFYWOOUSN-UHFFFAOYSA-N -1 0 577.946 6.895 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408797235 1071877456 /nfs/dbraw/zinc/87/74/56/1071877456.db2.gz QWPVYODCABLGTG-CCWWSCKISA-N -1 0 537.037 6.558 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409291754 1071871645 /nfs/dbraw/zinc/87/16/45/1071871645.db2.gz DLFIYQKTYPKUPG-IBGZPJMESA-N -1 0 558.591 5.536 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408783044 1071873184 /nfs/dbraw/zinc/87/31/84/1071873184.db2.gz MQEUIAJEGBHFFS-WPWMEQJKSA-N -1 0 524.617 5.984 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409041547 1071878162 /nfs/dbraw/zinc/87/81/62/1071878162.db2.gz JYJIENQGGYONCR-UHFFFAOYSA-N -1 0 735.491 7.058 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408796490 1071879335 /nfs/dbraw/zinc/87/93/35/1071879335.db2.gz PDWLFYIDTNAEPD-DEOSSOPVSA-N -1 0 607.400 5.310 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C(C)C ZINC000409290903 1071884278 /nfs/dbraw/zinc/88/42/78/1071884278.db2.gz VMFQCTOKIVEAED-UHFFFAOYSA-N -1 0 674.979 8.079 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408795842 1071881192 /nfs/dbraw/zinc/88/11/92/1071881192.db2.gz WIMZODCRGZIZHN-HMGGVMEDSA-N -1 0 559.043 7.013 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1Br ZINC000408793153 1071886963 /nfs/dbraw/zinc/88/69/63/1071886963.db2.gz NPAFTHTUTNFRHZ-ANVDJJBOSA-N -1 0 550.228 5.156 40 30 KKEBRM Cc1ccc(COc2c(I)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2I)cc1 ZINC000408792391 1071888783 /nfs/dbraw/zinc/88/87/83/1071888783.db2.gz BELOTORZNRNVTO-GXMXPRDMSA-N -1 0 710.331 6.715 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409290883 1071888989 /nfs/dbraw/zinc/88/89/89/1071888989.db2.gz NRWMKDATAWEUDF-UHFFFAOYSA-N -1 0 659.783 8.181 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408791972 1071889290 /nfs/dbraw/zinc/88/92/90/1071889290.db2.gz FXQUJWRDGCSFRM-SILRWXEESA-N -1 0 588.398 5.941 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408791091 1071892322 /nfs/dbraw/zinc/89/23/22/1071892322.db2.gz TVNFHXTYHZXWCX-SILRWXEESA-N -1 0 557.853 6.614 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408791294 1071890395 /nfs/dbraw/zinc/89/03/95/1071890395.db2.gz YLZOXPFZWAZYRO-FSJBWODESA-N -1 0 529.980 5.473 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408790379 1071893988 /nfs/dbraw/zinc/89/39/88/1071893988.db2.gz PMVROAIPIKUKJL-DIENZIEHSA-N -1 0 822.200 7.011 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408790030 1071894551 /nfs/dbraw/zinc/89/45/51/1071894551.db2.gz MHIZMJQCRWWTCI-FPOHZDDLSA-N -1 0 584.679 7.086 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCC(=O)[O-] ZINC000409290346 1071895309 /nfs/dbraw/zinc/89/53/09/1071895309.db2.gz LEVNZQJAGPDCHF-UHFFFAOYSA-N -1 0 582.794 5.580 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br)C(=O)[O-] ZINC000409290214 1071898876 /nfs/dbraw/zinc/89/88/76/1071898876.db2.gz RKFLSMKTOIUAFC-CYBMUJFWSA-N -1 0 645.691 6.722 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br)C(=O)[O-] ZINC000409290215 1071898945 /nfs/dbraw/zinc/89/89/45/1071898945.db2.gz RKFLSMKTOIUAFC-ZDUSSCGKSA-N -1 0 645.691 6.722 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)cc1C(C)C ZINC000409289793 1071906433 /nfs/dbraw/zinc/90/64/33/1071906433.db2.gz IEQHGDMKHNNUJB-UHFFFAOYSA-N -1 0 698.614 8.215 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408788067 1071900207 /nfs/dbraw/zinc/90/02/07/1071900207.db2.gz AROVERDLOQJMAI-ZACWFKSVSA-N -1 0 500.407 6.333 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC000409289316 1071913469 /nfs/dbraw/zinc/91/34/69/1071913469.db2.gz FTBXFYJKLCZNKI-UHFFFAOYSA-N -1 0 571.653 5.218 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409289691 1071909636 /nfs/dbraw/zinc/90/96/36/1071909636.db2.gz HQSLEVLSYSIOHK-UHFFFAOYSA-N -1 0 593.561 7.395 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409047385 1071915071 /nfs/dbraw/zinc/91/50/71/1071915071.db2.gz OMHRKMHFKPDONZ-UHFFFAOYSA-N -1 0 557.687 6.296 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409057174 1071917660 /nfs/dbraw/zinc/91/76/60/1071917660.db2.gz JJXNCTHVYZPXNH-FLNDSNKGSA-N -1 0 543.044 7.394 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1OCC(=O)[O-] ZINC000409289023 1071918197 /nfs/dbraw/zinc/91/81/97/1071918197.db2.gz KLNOOWSLHLWKOE-UHFFFAOYSA-N -1 0 562.376 5.317 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccccc3)c(Br)c2)C2=C1CCCC2=O ZINC000409056492 1071921380 /nfs/dbraw/zinc/92/13/80/1071921380.db2.gz MLEUIQPQMJBQQT-UHFFFAOYSA-N -1 0 615.318 6.289 40 30 KKEBRM CCCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC ZINC000409056349 1071921919 /nfs/dbraw/zinc/92/19/19/1071921919.db2.gz DCNNDDLARMFLLF-NVHABHRXSA-N -1 0 519.417 5.569 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409288683 1071927522 /nfs/dbraw/zinc/92/75/22/1071927522.db2.gz BLDJUHFLFKNWNB-SFHVURJKSA-N -1 0 701.412 7.162 40 30 KKEBRM C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409288417 1071927560 /nfs/dbraw/zinc/92/75/60/1071927560.db2.gz HEIFVBVGKWWPDS-UHFFFAOYSA-N -1 0 562.420 5.364 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409288694 1071927574 /nfs/dbraw/zinc/92/75/74/1071927574.db2.gz BMGCUXZRTWDNQW-UHFFFAOYSA-N -1 0 691.804 7.431 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409288778 1071924581 /nfs/dbraw/zinc/92/45/81/1071924581.db2.gz JFEZSHSKZAMONP-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409055624 1071926601 /nfs/dbraw/zinc/92/66/01/1071926601.db2.gz JOLLWFTZWILDOR-UHFFFAOYSA-N -1 0 582.524 7.343 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409288500 1071929062 /nfs/dbraw/zinc/92/90/62/1071929062.db2.gz AMAZTNAUCIZZQH-UHFFFAOYSA-N -1 0 599.279 6.204 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288331 1071931056 /nfs/dbraw/zinc/93/10/56/1071931056.db2.gz GFNPHRJECUZNCC-UHFFFAOYSA-N -1 0 629.669 7.105 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409288336 1071931068 /nfs/dbraw/zinc/93/10/68/1071931068.db2.gz GHGSKJVMLXAWFX-UHFFFAOYSA-N -1 0 646.279 6.046 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409288321 1071931078 /nfs/dbraw/zinc/93/10/78/1071931078.db2.gz GCNYNECJROQAKX-UHFFFAOYSA-N -1 0 518.617 6.336 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409054170 1071935262 /nfs/dbraw/zinc/93/52/62/1071935262.db2.gz NJFPWNDFMQROKQ-TUGOISKESA-N -1 0 557.853 6.614 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409288214 1071933628 /nfs/dbraw/zinc/93/36/28/1071933628.db2.gz DWBFKFITWVIKCS-UHFFFAOYSA-N -1 0 704.359 6.619 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C1=O ZINC000409053381 1071939791 /nfs/dbraw/zinc/93/97/91/1071939791.db2.gz CEUGYGYNFGDWJE-QFEZKATASA-N -1 0 686.964 6.640 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409287799 1071941218 /nfs/dbraw/zinc/94/12/18/1071941218.db2.gz ZKDLZDSUUAYKBB-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM O=C([O-])COc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409288072 1071936263 /nfs/dbraw/zinc/93/62/63/1071936263.db2.gz CJJOOWWIKLPXRJ-UHFFFAOYSA-N -1 0 517.463 5.581 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409287382 1071947931 /nfs/dbraw/zinc/94/79/31/1071947931.db2.gz UQBOHTUKCVOPEP-UHFFFAOYSA-N -1 0 700.895 8.056 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Cl)C(=O)[O-] ZINC000409287410 1071944200 /nfs/dbraw/zinc/94/42/00/1071944200.db2.gz UZAQRZZHPUPONM-ZDUSSCGKSA-N -1 0 550.320 6.123 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCC(=O)[O-] ZINC000409297292 1071949988 /nfs/dbraw/zinc/94/99/88/1071949988.db2.gz VYDUMEQLKPNPMO-UHFFFAOYSA-N -1 0 562.376 5.317 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409297165 1071952660 /nfs/dbraw/zinc/95/26/60/1071952660.db2.gz KGHKNSRYMKISTH-SFHVURJKSA-N -1 0 564.038 5.900 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409296876 1071957343 /nfs/dbraw/zinc/95/73/43/1071957343.db2.gz JMFHZFHXCWCXMA-UHFFFAOYSA-N -1 0 578.463 6.015 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409296618 1071957869 /nfs/dbraw/zinc/95/78/69/1071957869.db2.gz UKMYJCFZGDLMEG-UHFFFAOYSA-N -1 0 645.756 7.791 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409050334 1071957813 /nfs/dbraw/zinc/95/78/13/1071957813.db2.gz USSZPZGJKAGRGW-LICLKQGHSA-N -1 0 534.204 5.060 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409049632 1071963486 /nfs/dbraw/zinc/96/34/86/1071963486.db2.gz XLDZVQVMIHCUCK-UHFFFAOYSA-N -1 0 694.214 7.051 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409296374 1071963440 /nfs/dbraw/zinc/96/34/40/1071963440.db2.gz QUDPVOOYMDJJNO-UHFFFAOYSA-N -1 0 591.664 6.672 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2[N+](=O)[O-])c1 ZINC000409296396 1071963534 /nfs/dbraw/zinc/96/35/34/1071963534.db2.gz QWJLDPNKMFPLEW-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409048680 1071968320 /nfs/dbraw/zinc/96/83/20/1071968320.db2.gz UKRZQQFDPVIFDX-UHFFFAOYSA-N -1 0 565.258 5.274 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C2=C1CCCC2=O ZINC000409048707 1071968329 /nfs/dbraw/zinc/96/83/29/1071968329.db2.gz USIYRAJAFKUXGQ-UHFFFAOYSA-N -1 0 649.763 6.942 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br ZINC000409295930 1071970543 /nfs/dbraw/zinc/97/05/43/1071970543.db2.gz PNCPOEVAYUHTMN-UHFFFAOYSA-N -1 0 631.664 6.334 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409295595 1071974987 /nfs/dbraw/zinc/97/49/87/1071974987.db2.gz FSMPVEDJFXXOLE-UHFFFAOYSA-N -1 0 604.501 6.765 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409295671 1071976153 /nfs/dbraw/zinc/97/61/53/1071976153.db2.gz FQBCFIGFNLNPFY-UHFFFAOYSA-N -1 0 685.474 6.972 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C2=C1CCCC2=O ZINC000409047924 1071976827 /nfs/dbraw/zinc/97/68/27/1071976827.db2.gz QBMFQTIHFQWWDV-UHFFFAOYSA-N -1 0 544.406 6.210 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 ZINC000409295415 1071982077 /nfs/dbraw/zinc/98/20/77/1071982077.db2.gz DMXFSYWCUKRDEU-UHFFFAOYSA-N -1 0 667.394 6.912 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409294702 1071989480 /nfs/dbraw/zinc/98/94/80/1071989480.db2.gz BJXYRGQWSICUHY-UHFFFAOYSA-N -1 0 690.332 6.229 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2[O-])cc1C(C)C ZINC000409294650 1071993236 /nfs/dbraw/zinc/99/32/36/1071993236.db2.gz BUCAWAXRMRGTOE-UHFFFAOYSA-N -1 0 540.845 6.508 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409065093 1071995789 /nfs/dbraw/zinc/99/57/89/1071995789.db2.gz HIIQXYJBKHGJAD-UHFFFAOYSA-N -1 0 500.591 6.364 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409065109 1071995846 /nfs/dbraw/zinc/99/58/46/1071995846.db2.gz GERSUHONHWPRBP-UHFFFAOYSA-N -1 0 670.622 6.686 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409065150 1071996578 /nfs/dbraw/zinc/99/65/78/1071996578.db2.gz GRIGYWVVCPXLAE-UHFFFAOYSA-N -1 0 705.567 5.654 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065144 1071996610 /nfs/dbraw/zinc/99/66/10/1071996610.db2.gz HUDNAGLKACIPAG-UHFFFAOYSA-N -1 0 597.752 7.406 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C2=C1CC(C)(C)CC2=O ZINC000409066682 1072001284 /nfs/dbraw/zinc/00/12/84/1072001284.db2.gz NSILRDKFCDPBEA-UHFFFAOYSA-N -1 0 711.637 8.063 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000409307242 1072003910 /nfs/dbraw/zinc/00/39/10/1072003910.db2.gz SAPBASLWWGKGIU-UHFFFAOYSA-N -1 0 560.994 6.165 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1 ZINC000409307260 1072001830 /nfs/dbraw/zinc/00/18/30/1072001830.db2.gz SCLWCEDZSQOXQY-UHFFFAOYSA-N -1 0 707.762 8.148 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409066071 1072003963 /nfs/dbraw/zinc/00/39/63/1072003963.db2.gz AJLBWCRYKOPAEX-NDZAJKAJSA-N -1 0 619.630 6.156 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2ccc(F)cc2)C2=C1CCCC2=O ZINC000409066056 1072004062 /nfs/dbraw/zinc/00/40/62/1072004062.db2.gz AIHOVMQNHJJZII-UHFFFAOYSA-N -1 0 523.988 5.946 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409306991 1072004244 /nfs/dbraw/zinc/00/42/44/1072004244.db2.gz RMJAMXQXZDJPSF-UHFFFAOYSA-N -1 0 618.524 6.159 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409066627 1072003085 /nfs/dbraw/zinc/00/30/85/1072003085.db2.gz PDFRJEMWBPTQBC-UHFFFAOYSA-N -1 0 640.604 7.993 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409066310 1072003460 /nfs/dbraw/zinc/00/34/60/1072003460.db2.gz LAKJUUUQCLJTBP-YZSQISJMSA-N -1 0 574.655 5.173 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409067180 1071998630 /nfs/dbraw/zinc/99/86/30/1071998630.db2.gz OCLLOCJYWUOURZ-OEAKJJBVSA-N -1 0 565.453 6.674 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409066342 1072004190 /nfs/dbraw/zinc/00/41/90/1072004190.db2.gz ADXHFGSTVHKXQE-UHFFFAOYSA-N -1 0 647.812 8.291 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409065639 1072007091 /nfs/dbraw/zinc/00/70/91/1072007091.db2.gz IJKOPZGUELCXLD-OEAKJJBVSA-N -1 0 592.402 5.340 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(I)c2)cc1C(C)C ZINC000409306913 1072008003 /nfs/dbraw/zinc/00/80/03/1072008003.db2.gz RDZWZSBAOSQAAI-UHFFFAOYSA-N -1 0 813.430 7.873 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409065597 1072009157 /nfs/dbraw/zinc/00/91/57/1072009157.db2.gz JLTLMRGMDRDQCC-PCLIKHOPSA-N -1 0 530.552 5.207 40 30 KKEBRM CCCOc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OCC ZINC000409066023 1072005588 /nfs/dbraw/zinc/00/55/88/1072005588.db2.gz GQTCKPUTCJKDQL-GQKMNLJRSA-N -1 0 580.444 5.801 40 30 KKEBRM CCOc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409064679 1072013567 /nfs/dbraw/zinc/01/35/67/1072013567.db2.gz FEKWEARDPUFWGX-UHFFFAOYSA-N -1 0 544.486 6.008 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409064534 1072014593 /nfs/dbraw/zinc/01/45/93/1072014593.db2.gz HJOLASXXDXCGMS-LFVJCYFKSA-N -1 0 575.017 5.499 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409064322 1072015191 /nfs/dbraw/zinc/01/51/91/1072015191.db2.gz GOCQDFOVJYEPHX-YDZHTSKRSA-N -1 0 551.426 6.284 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409064425 1072016227 /nfs/dbraw/zinc/01/62/27/1072016227.db2.gz CUCKKWPUMGDYJK-UHFFFAOYSA-N -1 0 624.547 7.328 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409306326 1072015374 /nfs/dbraw/zinc/01/53/74/1072015374.db2.gz ZNHQKCFEXDKSQG-UHFFFAOYSA-N -1 0 584.854 5.933 40 30 KKEBRM C[C@@H](Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1)C(=O)[O-] ZINC000409306552 1072011000 /nfs/dbraw/zinc/01/10/00/1072011000.db2.gz PZMPLPNXUHEQQD-OAHLLOKOSA-N -1 0 532.350 5.306 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409306608 1072011450 /nfs/dbraw/zinc/01/14/50/1072011450.db2.gz PQYDEKUBSHVDOF-UHFFFAOYSA-N -1 0 605.691 7.062 40 30 KKEBRM CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CCCC2=O ZINC000409064801 1072012896 /nfs/dbraw/zinc/01/28/96/1072012896.db2.gz FOMSTNBRDWJMHM-UHFFFAOYSA-N -1 0 501.579 5.406 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409064605 1072013147 /nfs/dbraw/zinc/01/31/47/1072013147.db2.gz HYILBSVMOKKUDX-UHFFFAOYSA-N -1 0 735.513 9.104 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C(C)C ZINC000409306146 1072016638 /nfs/dbraw/zinc/01/66/38/1072016638.db2.gz OZDMEOCHKUCXQT-UHFFFAOYSA-N -1 0 506.946 5.653 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064175 1072016637 /nfs/dbraw/zinc/01/66/37/1072016637.db2.gz BZIKAZNQRFPTMO-UHFFFAOYSA-N -1 0 636.583 7.440 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064076 1072017491 /nfs/dbraw/zinc/01/74/91/1072017491.db2.gz BNCDTFCUZMFNGM-UHFFFAOYSA-N -1 0 658.622 9.156 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1 ZINC000409063987 1072019036 /nfs/dbraw/zinc/01/90/36/1072019036.db2.gz BBLVLRGQJBUDKK-UHFFFAOYSA-N -1 0 575.677 6.574 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c3)cc21 ZINC000409305755 1072022422 /nfs/dbraw/zinc/02/24/22/1072022422.db2.gz NZMVHRODBKRXKD-HNNXBMFYSA-N -1 0 592.402 5.324 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409305809 1072019918 /nfs/dbraw/zinc/01/99/18/1072019918.db2.gz NOQNBMWSYVBREZ-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM CCCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409063362 1072021519 /nfs/dbraw/zinc/02/15/19/1072021519.db2.gz AMCCEVKDRZULBX-UHFFFAOYSA-N -1 0 548.507 6.943 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(Br)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409062483 1072024409 /nfs/dbraw/zinc/02/44/09/1072024409.db2.gz VNGXICDRLJLCFU-GYOQDEGTSA-N -1 0 503.418 5.806 40 30 KKEBRM Cc1c(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409062204 1072025644 /nfs/dbraw/zinc/02/56/44/1072025644.db2.gz PPOQGFJODJLOAP-FGZKNKNMSA-N -1 0 550.467 7.237 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409305129 1072029059 /nfs/dbraw/zinc/02/90/59/1072029059.db2.gz MWWHGNDBXBRNFY-HNNXBMFYSA-N -1 0 508.372 5.170 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409304927 1072030683 /nfs/dbraw/zinc/03/06/83/1072030683.db2.gz MEHMWGODWRWQIQ-UHFFFAOYSA-N -1 0 598.881 6.494 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059795 1072037423 /nfs/dbraw/zinc/03/74/23/1072037423.db2.gz OLZROJHKXUCPTO-LKDLRLLFSA-N -1 0 523.408 5.960 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409059816 1072037479 /nfs/dbraw/zinc/03/74/79/1072037479.db2.gz XOGANLIWILZCAG-UHFFFAOYSA-N -1 0 649.763 6.942 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304565 1072037597 /nfs/dbraw/zinc/03/75/97/1072037597.db2.gz LQLZDTUJUSZNED-UHFFFAOYSA-N -1 0 707.364 8.437 40 30 KKEBRM 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0 542.636 5.306 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Cl)cc(Cl)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409077146 1072044218 /nfs/dbraw/zinc/04/42/18/1072044218.db2.gz DBMMJHIYWLDMNJ-FFCNRAIOSA-N -1 0 501.479 7.914 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409076739 1072046386 /nfs/dbraw/zinc/04/63/86/1072046386.db2.gz CBZFZBBMYFDBMN-BDBFOOTBSA-N -1 0 541.028 7.426 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409303745 1072046828 /nfs/dbraw/zinc/04/68/28/1072046828.db2.gz JNZVEMVOPJFHCF-JTQLQIEISA-N -1 0 587.652 5.016 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409076058 1072055180 /nfs/dbraw/zinc/05/51/80/1072055180.db2.gz XFCRYINUINPRIA-UHFFFAOYSA-N -1 0 596.551 7.733 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000409076282 1072051316 /nfs/dbraw/zinc/05/13/16/1072051316.db2.gz 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CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409075494 1072060673 /nfs/dbraw/zinc/06/06/73/1072060673.db2.gz WIEXZXUESOOAFW-UHFFFAOYSA-N -1 0 651.156 7.386 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409075018 1072064076 /nfs/dbraw/zinc/06/40/76/1072064076.db2.gz WRZYSVVSURAUFA-PCLIKHOPSA-N -1 0 547.007 5.721 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409074891 1072065068 /nfs/dbraw/zinc/06/50/68/1072065068.db2.gz NUIRZEYJQRIIGY-UHFFFAOYSA-N -1 0 534.052 6.590 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409074958 1072066110 /nfs/dbraw/zinc/06/61/10/1072066110.db2.gz VRLWAJLRXOXGJK-OEAKJJBVSA-N -1 0 581.850 6.085 40 30 KKEBRM C[C@@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409302338 1072067261 /nfs/dbraw/zinc/06/72/61/1072067261.db2.gz DJWNNEARXJDVOH-CQSZACIVSA-N -1 0 611.246 6.069 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409302126 1072071729 /nfs/dbraw/zinc/07/17/29/1072071729.db2.gz HOBRROPFUKYBBX-SNVBAGLBSA-N -1 0 652.068 5.470 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409301900 1072072809 /nfs/dbraw/zinc/07/28/09/1072072809.db2.gz BTMXRBVAHRYYFX-CYBMUJFWSA-N -1 0 611.792 5.868 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)cc1C(C)C ZINC000409301924 1072073203 /nfs/dbraw/zinc/07/32/03/1072073203.db2.gz CAHUYTPDILRFIN-UHFFFAOYSA-N -1 0 576.697 7.190 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073065 1072077072 /nfs/dbraw/zinc/07/70/72/1072077072.db2.gz XBJJICUBULXWRG-UHFFFAOYSA-N -1 0 589.732 7.850 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409073214 1072076111 /nfs/dbraw/zinc/07/61/11/1072076111.db2.gz VMCFLCSNCWFHOG-UHFFFAOYSA-N -1 0 606.557 7.188 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCCC ZINC000409073139 1072077639 /nfs/dbraw/zinc/07/76/39/1072077639.db2.gz XPIGELPPYBBEMK-ZXVVBBHZSA-N -1 0 540.616 5.848 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409072258 1072084023 /nfs/dbraw/zinc/08/40/23/1072084023.db2.gz UQWSYUGBPBUHLC-UHFFFAOYSA-N -1 0 671.426 7.804 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409072958 1072078538 /nfs/dbraw/zinc/07/85/38/1072078538.db2.gz FNXKRJZCKABLLT-UHFFFAOYSA-N -1 0 637.129 6.996 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409301260 1072079852 /nfs/dbraw/zinc/07/98/52/1072079852.db2.gz DLQQJGDAPHMNHO-MRXNPFEDSA-N -1 0 542.430 5.340 40 30 KKEBRM 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C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409071795 1072086577 /nfs/dbraw/zinc/08/65/77/1072086577.db2.gz LLXMRRSYWXPIFG-PCLIKHOPSA-N -1 0 591.458 5.830 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC000409071783 1072086707 /nfs/dbraw/zinc/08/67/07/1072086707.db2.gz IEGFVUXYBMPKNJ-UHFFFAOYSA-N -1 0 671.426 7.561 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Br)cc1 ZINC000409071261 1072090830 /nfs/dbraw/zinc/09/08/30/1072090830.db2.gz QGFZPNGUQPGWNY-UHFFFAOYSA-N -1 0 762.479 7.802 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071614 1072087316 /nfs/dbraw/zinc/08/73/16/1072087316.db2.gz HNQXLVXWFLELQY-UHFFFAOYSA-N -1 0 599.421 5.278 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1[O-] ZINC000409300780 1072087518 /nfs/dbraw/zinc/08/75/18/1072087518.db2.gz 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ZINC000409071303 1072091117 /nfs/dbraw/zinc/09/11/17/1072091117.db2.gz QLIBPGAQVCVLEQ-UHFFFAOYSA-N -1 0 601.740 6.695 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409071381 1072089429 /nfs/dbraw/zinc/08/94/29/1072089429.db2.gz RATGECGKQYTVJE-UHFFFAOYSA-N -1 0 752.473 8.346 40 30 KKEBRM CCCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OCC ZINC000409071397 1072089465 /nfs/dbraw/zinc/08/94/65/1072089465.db2.gz JSKGEBGAJJRWRI-UHFFFAOYSA-N -1 0 593.458 5.367 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409070886 1072091983 /nfs/dbraw/zinc/09/19/83/1072091983.db2.gz ZQKKONBXCVBEFE-UHFFFAOYSA-N -1 0 656.197 6.667 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br ZINC000409300277 1072092017 /nfs/dbraw/zinc/09/20/17/1072092017.db2.gz VNPTUJYOLYLOQN-UHFFFAOYSA-N -1 0 552.768 5.571 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Br)cc1 ZINC000409070781 1072093289 /nfs/dbraw/zinc/09/32/89/1072093289.db2.gz GUYAGCYKUNSWBM-UHFFFAOYSA-N -1 0 656.595 6.295 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409070693 1072094388 /nfs/dbraw/zinc/09/43/88/1072094388.db2.gz GKLKWHYILXMMCR-UHFFFAOYSA-N -1 0 619.758 7.858 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(Cl)c1 ZINC000409070290 1072095250 /nfs/dbraw/zinc/09/52/50/1072095250.db2.gz ZTRNHUWTLHSXJW-UHFFFAOYSA-N -1 0 606.159 7.478 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CCCC4=O)N(CC(=O)[O-])C4=C3C(=O)CCC4)cc2Br)cc1 ZINC000409070302 1072095378 /nfs/dbraw/zinc/09/53/78/1072095378.db2.gz ZUPJFGWCBFISNE-UHFFFAOYSA-N -1 0 600.487 5.023 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000409070341 1072095742 /nfs/dbraw/zinc/09/57/42/1072095742.db2.gz NZFFTXVVFPCZML-ZTKZIYFRSA-N -1 0 624.671 5.437 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1O ZINC000409069881 1072098874 /nfs/dbraw/zinc/09/88/74/1072098874.db2.gz YGEITAZJJVMWDK-UHFFFAOYSA-N -1 0 595.328 6.078 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1cccc(F)c1 ZINC000409069750 1072099976 /nfs/dbraw/zinc/09/99/76/1072099976.db2.gz WESNOBCRRFPBIP-UHFFFAOYSA-N -1 0 573.661 6.420 40 30 KKEBRM CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409069733 1072100043 /nfs/dbraw/zinc/10/00/43/1072100043.db2.gz VXKLABVBYNDFCY-XKJRVUDJSA-N -1 0 582.329 6.498 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299795 1072100361 /nfs/dbraw/zinc/10/03/61/1072100361.db2.gz RZDIGGNLEBSDBS-UHFFFAOYSA-N -1 0 676.305 6.055 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccccc1 ZINC000409069837 1072100461 /nfs/dbraw/zinc/10/04/61/1072100461.db2.gz XDCBOSLFMLOJCH-UHFFFAOYSA-N -1 0 621.752 6.013 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409299573 1072101373 /nfs/dbraw/zinc/10/13/73/1072101373.db2.gz UGPQGOCZNFWXMP-UHFFFAOYSA-N -1 0 670.560 7.434 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409069664 1072101522 /nfs/dbraw/zinc/10/15/22/1072101522.db2.gz MJNGIMVKEGTSSO-UHFFFAOYSA-N -1 0 641.002 7.842 40 30 KKEBRM C=CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409069499 1072102567 /nfs/dbraw/zinc/10/25/67/1072102567.db2.gz VVFTYPPBDGDOMG-XDHOZWIPSA-N -1 0 565.385 5.189 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409069078 1072106933 /nfs/dbraw/zinc/10/69/33/1072106933.db2.gz BYEXATFPZMGIMK-UHFFFAOYSA-N -1 0 592.132 6.740 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299422 1072104070 /nfs/dbraw/zinc/10/40/70/1072104070.db2.gz SNRXFCOVRNUFOR-UHFFFAOYSA-N -1 0 763.483 8.587 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299408 1072104104 /nfs/dbraw/zinc/10/41/04/1072104104.db2.gz ZQZQGBYMIMXFCK-UHFFFAOYSA-N -1 0 657.359 6.777 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409069176 1072105355 /nfs/dbraw/zinc/10/53/55/1072105355.db2.gz CGJAWUHWFNEJJU-YZSQISJMSA-N -1 0 605.485 6.220 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000409068990 1072105879 /nfs/dbraw/zinc/10/58/79/1072105879.db2.gz VDNLPNQYGIQLBE-UHFFFAOYSA-N -1 0 577.699 5.533 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409068502 1072111795 /nfs/dbraw/zinc/11/17/95/1072111795.db2.gz SWFRXZUXNASVSB-UHFFFAOYSA-N -1 0 650.610 7.240 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccccc1Cl ZINC000409068359 1072112791 /nfs/dbraw/zinc/11/27/91/1072112791.db2.gz IMHXCKJFNWUXPB-UHFFFAOYSA-N -1 0 590.116 6.934 40 30 KKEBRM CCCCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC ZINC000409068186 1072113637 /nfs/dbraw/zinc/11/36/37/1072113637.db2.gz KNOSPLLNUOCVBL-LETHEXBRSA-N -1 0 533.444 5.959 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409068936 1072108203 /nfs/dbraw/zinc/10/82/03/1072108203.db2.gz SUWNMLXSDHZEGD-UHFFFAOYSA-N -1 0 718.028 7.693 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409068394 1072110743 /nfs/dbraw/zinc/11/07/43/1072110743.db2.gz IOCVFDJGYRDAAC-UHFFFAOYSA-N -1 0 576.133 7.713 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409067889 1072115290 /nfs/dbraw/zinc/11/52/90/1072115290.db2.gz DPNAGEWSJQAVSE-UHFFFAOYSA-N -1 0 614.920 6.578 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409298724 1072115661 /nfs/dbraw/zinc/11/56/61/1072115661.db2.gz OBNYEQKDKQVAIF-IBGZPJMESA-N -1 0 578.065 6.290 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409067801 1072116468 /nfs/dbraw/zinc/11/64/68/1072116468.db2.gz RGHAEOKUYBQVHV-UHFFFAOYSA-N -1 0 605.731 7.434 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409298536 1072117341 /nfs/dbraw/zinc/11/73/41/1072117341.db2.gz OLUBEGSBXYAKMR-CQSZACIVSA-N -1 0 607.373 5.223 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409298324 1072122436 /nfs/dbraw/zinc/12/24/36/1072122436.db2.gz WITYCLKFUPCUNA-CYBMUJFWSA-N -1 0 594.771 6.232 40 30 KKEBRM CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)[O-])cc2)C2=C1CCCC2=O ZINC000409067461 1072117851 /nfs/dbraw/zinc/11/78/51/1072117851.db2.gz QWSANICYJIZWPE-UHFFFAOYSA-N -1 0 540.443 6.704 40 30 KKEBRM C[C@@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc21 ZINC000409298080 1072122972 /nfs/dbraw/zinc/12/29/72/1072122972.db2.gz NCBZFAJXCHMFNP-INIZCTEOSA-N -1 0 555.388 6.055 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409298112 1072123315 /nfs/dbraw/zinc/12/33/15/1072123315.db2.gz NJZPYWKMXUFYLW-UHFFFAOYSA-N -1 0 580.566 6.974 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409297907 1072124669 /nfs/dbraw/zinc/12/46/69/1072124669.db2.gz MXEYKJLDNBAENH-UHFFFAOYSA-N -1 0 593.039 6.689 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1cccc(F)c1 ZINC000409080167 1072126486 /nfs/dbraw/zinc/12/64/86/1072126486.db2.gz MGQCSCJPJHMGLF-UHFFFAOYSA-N -1 0 559.634 6.030 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409079676 1072130737 /nfs/dbraw/zinc/13/07/37/1072130737.db2.gz LMVNQDFUNHHSHV-UHFFFAOYSA-N -1 0 570.520 6.294 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079746 1072131727 /nfs/dbraw/zinc/13/17/27/1072131727.db2.gz MCVXVDXJXBTIDD-RGVLZGJSSA-N -1 0 601.921 6.463 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409297587 1072132684 /nfs/dbraw/zinc/13/26/84/1072132684.db2.gz UDDOUOXHOKCXCK-UHFFFAOYSA-N -1 0 546.023 6.266 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409314863 1072139296 /nfs/dbraw/zinc/13/92/96/1072139296.db2.gz HSSUFNZVKCCSIG-KRWDZBQOSA-N -1 0 556.457 5.363 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409079362 1072134060 /nfs/dbraw/zinc/13/40/60/1072134060.db2.gz JLSMAQABIVWOIP-ZRZGVWNLSA-N -1 0 601.168 8.833 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409314905 1072139398 /nfs/dbraw/zinc/13/93/98/1072139398.db2.gz TUIXCKHETIBRBR-NEPJUHHUSA-N -1 0 630.131 5.932 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1 ZINC000409297445 1072135110 /nfs/dbraw/zinc/13/51/10/1072135110.db2.gz LCUMGQGAFOAWEV-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)cc(Cl)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409079477 1072135411 /nfs/dbraw/zinc/13/54/11/1072135411.db2.gz JWGRGSYWPRFIOQ-BNWUJJENSA-N -1 0 580.375 8.677 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409315372 1072136401 /nfs/dbraw/zinc/13/64/01/1072136401.db2.gz VEHDEBCITKPFLX-UHFFFAOYSA-N -1 0 594.462 5.678 40 30 KKEBRM C[C@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc21 ZINC000409314328 1072144481 /nfs/dbraw/zinc/14/44/81/1072144481.db2.gz FTPQCTDNGVGCOF-MRXNPFEDSA-N -1 0 521.415 5.689 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409314379 1072144955 /nfs/dbraw/zinc/14/49/55/1072144955.db2.gz FYGZOWCPVSJZSK-AWEZNQCLSA-N -1 0 562.848 5.603 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409078265 1072147358 /nfs/dbraw/zinc/14/73/58/1072147358.db2.gz HQJRPEBVYIUDQB-UHFFFAOYSA-N -1 0 761.420 7.981 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409313673 1072148695 /nfs/dbraw/zinc/14/86/95/1072148695.db2.gz PBVIYZNJXBRHJZ-HNNXBMFYSA-N -1 0 603.300 7.139 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409078141 1072149124 /nfs/dbraw/zinc/14/91/24/1072149124.db2.gz HSLNKEXABVPVMC-UHFFFAOYSA-N -1 0 610.534 7.198 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409313119 1072153712 /nfs/dbraw/zinc/15/37/12/1072153712.db2.gz BMZXOXHKJMMXRQ-QGZVFWFLSA-N -1 0 594.462 5.849 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C2=C1CCCC2=O ZINC000409077777 1072151550 /nfs/dbraw/zinc/15/15/50/1072151550.db2.gz AAOYFBVLHJKCQO-UHFFFAOYSA-N -1 0 626.416 5.946 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409312737 1072158561 /nfs/dbraw/zinc/15/85/61/1072158561.db2.gz MCURKSTZKCPFRB-SFHVURJKSA-N -1 0 557.448 6.256 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409312620 1072159980 /nfs/dbraw/zinc/15/99/80/1072159980.db2.gz FUXHWZXBBCJAHO-UHFFFAOYSA-N -1 0 658.303 6.332 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409086501 1072163965 /nfs/dbraw/zinc/16/39/65/1072163965.db2.gz ZVIZHLAJGMCNSD-IPFQNQMQSA-N -1 0 556.482 7.278 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409311944 1072165619 /nfs/dbraw/zinc/16/56/19/1072165619.db2.gz IPPKHGFWNQVSGO-OLZOCXBDSA-N -1 0 551.235 5.169 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409312006 1072166056 /nfs/dbraw/zinc/16/60/56/1072166056.db2.gz IPYRXLXNXDXUJY-UHFFFAOYSA-N -1 0 603.517 6.432 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409312251 1072162060 /nfs/dbraw/zinc/16/20/60/1072162060.db2.gz KFGICFADWQJMBL-QGZVFWFLSA-N -1 0 657.359 6.993 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409310969 1072176909 /nfs/dbraw/zinc/17/69/09/1072176909.db2.gz XNTMUPBLOZYMRB-KGLIPLIRSA-N -1 0 550.837 5.459 40 30 KKEBRM CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])S/C1=N/c1ccc(Cl)cc1 ZINC000409085037 1072181064 /nfs/dbraw/zinc/18/10/64/1072181064.db2.gz YFAOQONJWDWQFR-QPEGHUKDSA-N -1 0 523.836 5.826 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409310478 1072181132 /nfs/dbraw/zinc/18/11/32/1072181132.db2.gz AKELPSFTNAIMEQ-UHFFFAOYSA-N -1 0 604.501 6.398 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409085086 1072181673 /nfs/dbraw/zinc/18/16/73/1072181673.db2.gz NSXTZHOUVGTRSB-OFWBYEQRSA-N -1 0 558.634 6.926 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409310564 1072182421 /nfs/dbraw/zinc/18/24/21/1072182421.db2.gz VUQDPIZNMWIFPU-UHFFFAOYSA-N -1 0 564.436 5.670 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409310130 1072186406 /nfs/dbraw/zinc/18/64/06/1072186406.db2.gz QUHRMHPQFNDMJK-OAHLLOKOSA-N -1 0 621.326 6.102 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1 ZINC000409309881 1072186905 /nfs/dbraw/zinc/18/69/05/1072186905.db2.gz NNIBOMVPASYGLS-UHFFFAOYSA-N -1 0 673.789 7.782 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I)C(=O)[O-] ZINC000409309656 1072190470 /nfs/dbraw/zinc/19/04/70/1072190470.db2.gz KMFPUMPYOPJHEX-CQSZACIVSA-N -1 0 624.273 5.545 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409084076 1072193408 /nfs/dbraw/zinc/19/34/08/1072193408.db2.gz WJXMNGLZTMPGNM-YGNIGIFCSA-N -1 0 566.723 8.179 40 30 KKEBRM C[C@@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409309718 1072190894 /nfs/dbraw/zinc/19/08/94/1072190894.db2.gz LOLWLTLUZQHPHY-CQSZACIVSA-N -1 0 577.273 5.703 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409309168 1072194498 /nfs/dbraw/zinc/19/44/98/1072194498.db2.gz CMQZSJZUVYLPRU-LJQANCHMSA-N -1 0 584.470 6.985 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409309286 1072196136 /nfs/dbraw/zinc/19/61/36/1072196136.db2.gz DZHGZAPFMADIGC-ZDUSSCGKSA-N -1 0 622.270 5.612 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409308872 1072197643 /nfs/dbraw/zinc/19/76/43/1072197643.db2.gz YXXOSPNFTOKICF-UHFFFAOYSA-N -1 0 673.863 7.293 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409308916 1072198730 /nfs/dbraw/zinc/19/87/30/1072198730.db2.gz ZGSZUNIAYAGVIE-INIZCTEOSA-N -1 0 623.403 5.547 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409308603 1072202334 /nfs/dbraw/zinc/20/23/34/1072202334.db2.gz YAVXEZYMKIYOJI-UHFFFAOYSA-N -1 0 786.202 6.825 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C)cc1C(C)C ZINC000409308689 1072204168 /nfs/dbraw/zinc/20/41/68/1072204168.db2.gz YJUOLRZXLVHDAU-UHFFFAOYSA-N -1 0 668.794 8.461 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308435 1072204720 /nfs/dbraw/zinc/20/47/20/1072204720.db2.gz XHWAEBXQKGQUGG-UHFFFAOYSA-N -1 0 700.895 8.056 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308457 1072205109 /nfs/dbraw/zinc/20/51/09/1072205109.db2.gz XJFPDIUAXNYAJO-UHFFFAOYSA-N -1 0 662.278 5.630 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308487 1072205572 /nfs/dbraw/zinc/20/55/72/1072205572.db2.gz YOTAHXDXTQRDBS-UHFFFAOYSA-N -1 0 607.972 6.904 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409308121 1072213489 /nfs/dbraw/zinc/21/34/89/1072213489.db2.gz WGXSXULNASRNNF-FQEVSTJZSA-N -1 0 581.028 6.605 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409082136 1072214557 /nfs/dbraw/zinc/21/45/57/1072214557.db2.gz REEQDJHUNQHXMA-WYPCKENUSA-N -1 0 557.716 7.278 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409081720 1072219904 /nfs/dbraw/zinc/21/99/04/1072219904.db2.gz HTHHSAKILHGGKU-UHFFFAOYSA-N -1 0 639.410 7.601 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC000409307344 1072223294 /nfs/dbraw/zinc/22/32/94/1072223294.db2.gz UOJDYDNGMJFTRK-UHFFFAOYSA-N -1 0 557.626 5.044 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409307418 1072221042 /nfs/dbraw/zinc/22/10/42/1072221042.db2.gz SURZANMMVOLKTA-OAHLLOKOSA-N -1 0 576.949 5.504 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Br ZINC000409087292 1072228218 /nfs/dbraw/zinc/22/82/18/1072228218.db2.gz SSMFJLVIAIEFQW-QPVYCHHJSA-N -1 0 509.381 5.721 40 30 KKEBRM O=C([O-])COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409316063 1072234314 /nfs/dbraw/zinc/23/43/14/1072234314.db2.gz LFHMOHJOWFJFON-UHFFFAOYSA-N -1 0 608.243 5.223 40 30 KKEBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409094763 1072244339 /nfs/dbraw/zinc/24/43/39/1072244339.db2.gz FXJDOFTYFPLZGP-SSDVNMTOSA-N -1 0 581.469 6.012 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(OCC)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409094133 1072247799 /nfs/dbraw/zinc/24/77/99/1072247799.db2.gz CEGJPOHMEZPTSS-MFKUBSTISA-N -1 0 592.670 6.074 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000409326607 1072246691 /nfs/dbraw/zinc/24/66/91/1072246691.db2.gz MHUVZYUMDUAHAZ-OAHLLOKOSA-N -1 0 521.415 5.660 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409093417 1072252801 /nfs/dbraw/zinc/25/28/01/1072252801.db2.gz ZZMNIAFDLSGZCL-UHFFFAOYSA-N -1 0 603.628 6.456 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409326114 1072249904 /nfs/dbraw/zinc/24/99/04/1072249904.db2.gz GYABFMJCWBDHSU-NWDGAFQWSA-N -1 0 596.232 5.077 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409325571 1072256050 /nfs/dbraw/zinc/25/60/50/1072256050.db2.gz ZFAHRBHEAQDUDU-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409093131 1072256064 /nfs/dbraw/zinc/25/60/64/1072256064.db2.gz XWZXHHPNJWVIAV-UHFFFAOYSA-N -1 0 635.389 6.666 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409092870 1072259343 /nfs/dbraw/zinc/25/93/43/1072259343.db2.gz WKUUXSBDJZSJPW-UEDGNNIQSA-N -1 0 578.690 7.035 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(I)cc(I)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409092396 1072262539 /nfs/dbraw/zinc/26/25/39/1072262539.db2.gz VLHYWKWBWXZMMI-DBUPPGCOSA-N -1 0 688.369 7.088 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000409324658 1072262963 /nfs/dbraw/zinc/26/29/63/1072262963.db2.gz UHNLWHLOGCYETA-HNNXBMFYSA-N -1 0 535.442 5.969 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091811 1072267880 /nfs/dbraw/zinc/26/78/80/1072267880.db2.gz RYJGGPVXWIABTH-UHFFFAOYSA-N -1 0 745.523 6.679 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409324505 1072264335 /nfs/dbraw/zinc/26/43/35/1072264335.db2.gz TVIPZHOJMMSNKK-UHFFFAOYSA-N -1 0 630.539 7.103 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409324539 1072264799 /nfs/dbraw/zinc/26/47/99/1072264799.db2.gz TXRDVIOEVLFQPI-UHFFFAOYSA-N -1 0 683.397 7.527 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409324330 1072265210 /nfs/dbraw/zinc/26/52/10/1072265210.db2.gz SBUJYNWKLAMQSB-QGZVFWFLSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409323471 1072273707 /nfs/dbraw/zinc/27/37/07/1072273707.db2.gz OBTYUOCCVFRUQF-OAHLLOKOSA-N -1 0 613.852 6.394 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409323431 1072275956 /nfs/dbraw/zinc/27/59/56/1072275956.db2.gz OBOAWYJMCOORFS-UHFFFAOYSA-N -1 0 703.815 7.791 40 30 KKEBRM O=C([O-])COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Br ZINC000409091652 1072269338 /nfs/dbraw/zinc/26/93/38/1072269338.db2.gz RDEHNEYGROXHMF-KBKYJPHKSA-N -1 0 517.401 5.126 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC000409323968 1072270090 /nfs/dbraw/zinc/27/00/90/1072270090.db2.gz QLKUTQKQJHOQPS-STQMWFEESA-N -1 0 598.235 5.011 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(=O)[O-])c(Br)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091151 1072275464 /nfs/dbraw/zinc/27/54/64/1072275464.db2.gz PTQXXFNXJDQMHO-GBXCZQIRSA-N -1 0 606.325 7.645 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091337 1072271438 /nfs/dbraw/zinc/27/14/38/1072271438.db2.gz SSOUFFZZXRVCHX-UHFFFAOYSA-N -1 0 589.601 6.066 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409091361 1072271899 /nfs/dbraw/zinc/27/18/99/1072271899.db2.gz PRQVINUKGVKLHR-WDHOPVFISA-N -1 0 628.488 5.826 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC000409322453 1072282081 /nfs/dbraw/zinc/28/20/81/1072282081.db2.gz XHXNEFHTFYHPMF-NSHDSACASA-N -1 0 710.104 5.227 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409090381 1072282174 /nfs/dbraw/zinc/28/21/74/1072282174.db2.gz MYVPTYRNYCCDQH-AQIPTJNXSA-N -1 0 502.636 6.807 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322690 1072281703 /nfs/dbraw/zinc/28/17/03/1072281703.db2.gz KMOOKNALTWFREU-UHFFFAOYSA-N -1 0 613.852 6.223 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409322711 1072281749 /nfs/dbraw/zinc/28/17/49/1072281749.db2.gz MVTYLLLFQSIZSH-KRWDZBQOSA-N -1 0 623.460 6.139 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OCC)c1 ZINC000409322682 1072281773 /nfs/dbraw/zinc/28/17/73/1072281773.db2.gz MRUFRBVLTITBGN-AWEZNQCLSA-N -1 0 595.288 5.397 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)cc(Br)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409090105 1072284432 /nfs/dbraw/zinc/28/44/32/1072284432.db2.gz KYRHEQMKJFBFDG-FFCNRAIOSA-N -1 0 590.381 8.133 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC000409322138 1072284862 /nfs/dbraw/zinc/28/48/62/1072284862.db2.gz IWIZKMNVARAYFZ-UHFFFAOYSA-N -1 0 677.777 7.086 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCC(=O)[O-] ZINC000409322225 1072285767 /nfs/dbraw/zinc/28/57/67/1072285767.db2.gz IOKBMTUMSWSDSD-MRXNPFEDSA-N -1 0 542.430 5.145 40 30 KKEBRM CCCN1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)S/C1=N/c1ccc(Cl)cc1 ZINC000409089722 1072286291 /nfs/dbraw/zinc/28/62/91/1072286291.db2.gz JWMJOBXTFMAYNR-YRRFOMBQSA-N -1 0 629.960 7.792 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409089781 1072286566 /nfs/dbraw/zinc/28/65/66/1072286566.db2.gz KACCNLVFZNFBFN-SUQZKJDASA-N -1 0 537.081 7.461 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000409321701 1072288716 /nfs/dbraw/zinc/28/87/16/1072288716.db2.gz IYUSHEIGYYBVSU-VXGBXAGGSA-N -1 0 541.229 5.713 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1O[C@H](C)C(=O)[O-] ZINC000409321360 1072293037 /nfs/dbraw/zinc/29/30/37/1072293037.db2.gz HFJXHMOLTQUFGC-CQSZACIVSA-N -1 0 562.848 5.603 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409320842 1072296680 /nfs/dbraw/zinc/29/66/80/1072296680.db2.gz CODRVNMDKWKLCH-MRXNPFEDSA-N -1 0 579.407 5.740 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409320103 1072303406 /nfs/dbraw/zinc/30/34/06/1072303406.db2.gz OZBCCECHZVJYJX-ZDUSSCGKSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409320563 1072299232 /nfs/dbraw/zinc/29/92/32/1072299232.db2.gz BWDNEOQFMVATGU-UHFFFAOYSA-N -1 0 613.306 6.424 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(I)c([O-])c(I)c3)c2C(=O)NCc2ccco2)C1 ZINC000409088207 1072301005 /nfs/dbraw/zinc/30/10/05/1072301005.db2.gz WCEWXNVIMLLIOF-DBUPPGCOSA-N -1 0 688.369 7.088 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409320486 1072301634 /nfs/dbraw/zinc/30/16/34/1072301634.db2.gz BLOFZDBOQSULER-GFCCVEGCSA-N -1 0 615.706 5.833 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC000409320307 1072302497 /nfs/dbraw/zinc/30/24/97/1072302497.db2.gz PVYMUWRZTHVMOC-STQMWFEESA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC000409320298 1072302576 /nfs/dbraw/zinc/30/25/76/1072302576.db2.gz PVYMUWRZTHVMOC-OLZOCXBDSA-N -1 0 581.261 5.178 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409319951 1072304868 /nfs/dbraw/zinc/30/48/68/1072304868.db2.gz ABRVYTWEFVKAMU-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409317928 1072323205 /nfs/dbraw/zinc/32/32/05/1072323205.db2.gz SDSNSCOOMTWMAJ-UHFFFAOYSA-N -1 0 762.293 8.290 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC000409317972 1072323634 /nfs/dbraw/zinc/32/36/34/1072323634.db2.gz SITXTZGMXMAKKY-UHFFFAOYSA-N -1 0 722.228 7.195 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC000409318368 1072319720 /nfs/dbraw/zinc/31/97/20/1072319720.db2.gz VZZGWUFKPRWAML-LLVKDONJSA-N -1 0 646.130 5.379 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409318475 1072320570 /nfs/dbraw/zinc/32/05/70/1072320570.db2.gz WSBDUCCJRBDQAA-UHFFFAOYSA-N -1 0 692.202 7.186 40 30 KKEBRM COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409099463 1072326189 /nfs/dbraw/zinc/32/61/89/1072326189.db2.gz SRRVWNOAERBVKP-ORBVJSQLSA-N -1 0 571.293 5.437 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409336020 1072333584 /nfs/dbraw/zinc/33/35/84/1072333584.db2.gz ZZJRAYNWKNMMDN-MRXNPFEDSA-N -1 0 643.332 6.603 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(Br)cc1OCc1ccccc1 ZINC000409336569 1072331274 /nfs/dbraw/zinc/33/12/74/1072331274.db2.gz PSLWPMZIUQSHTE-UUUDEGSZSA-N -1 0 501.427 5.911 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)SC2=N)s1 ZINC000409336246 1072333166 /nfs/dbraw/zinc/33/31/66/1072333166.db2.gz MVRSZKKMSDGHHH-JGOBEUKDSA-N -1 0 534.448 5.531 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=N)s1 ZINC000409335646 1072337161 /nfs/dbraw/zinc/33/71/61/1072337161.db2.gz LBVIYSQVUYAEJQ-QUROGHOOSA-N -1 0 503.609 5.738 40 30 KKEBRM N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)c(Br)c2)C([O-])=C1c1nccs1 ZINC000409335512 1072338476 /nfs/dbraw/zinc/33/84/76/1072338476.db2.gz JFTMPLHCBGBCNW-IWTUMMDWSA-N -1 0 521.461 7.056 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1cccc2ccccc21 ZINC000409334771 1072343454 /nfs/dbraw/zinc/34/34/54/1072343454.db2.gz ILZSBGBHVIURQL-AGXAIAEASA-N -1 0 515.660 6.649 40 30 KKEBRM C[C@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409334810 1072344111 /nfs/dbraw/zinc/34/41/11/1072344111.db2.gz NEXDATIVVZXPBK-INIZCTEOSA-N -1 0 541.446 5.007 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409334572 1072344535 /nfs/dbraw/zinc/34/45/35/1072344535.db2.gz TXVZKNAXHNLXOV-UHFFFAOYSA-N -1 0 520.383 5.271 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cn(Cc4ccc(Br)cc4)c4ccccc34)SC2=N)s1 ZINC000409333819 1072349668 /nfs/dbraw/zinc/34/96/68/1072349668.db2.gz DEVCSOZOSTUPEJ-DCKZGQGYSA-N -1 0 523.481 6.284 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000409333823 1072349858 /nfs/dbraw/zinc/34/98/58/1072349858.db2.gz DFGFHKBYTIZPNR-NVQQQHFASA-N -1 0 594.350 7.064 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000409332800 1072357338 /nfs/dbraw/zinc/35/73/38/1072357338.db2.gz MSVFVBNVFFZKHB-CQSZACIVSA-N -1 0 508.372 5.821 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409332563 1072359711 /nfs/dbraw/zinc/35/97/11/1072359711.db2.gz HGEUCORVFORCSX-GFCCVEGCSA-N -1 0 630.131 5.761 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)o1 ZINC000409332049 1072365607 /nfs/dbraw/zinc/36/56/07/1072365607.db2.gz JKDVDFNEAMTFPS-UHFFFAOYSA-N -1 0 534.410 6.356 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409331411 1072369925 /nfs/dbraw/zinc/36/99/25/1072369925.db2.gz DADHXGUAXLYWGT-KGLIPLIRSA-N -1 0 595.288 5.568 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409330527 1072376203 /nfs/dbraw/zinc/37/62/03/1072376203.db2.gz BACIAHQJLXBNJM-QGZVFWFLSA-N -1 0 594.462 5.849 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC000409327877 1072396907 /nfs/dbraw/zinc/39/69/07/1072396907.db2.gz XMGMAQKZTYGAAE-UHFFFAOYSA-N -1 0 535.442 5.798 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC000409327704 1072397809 /nfs/dbraw/zinc/39/78/09/1072397809.db2.gz WMYPGSDZNGMBAG-OLZOCXBDSA-N -1 0 506.784 5.060 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000409109035 1072402006 /nfs/dbraw/zinc/40/20/06/1072402006.db2.gz ZWYOFBUJCJWSQF-KEUDPWFOSA-N -1 0 562.651 6.512 40 30 KKEBRM C=CCOc1c(Br)cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1Br ZINC000409336984 1072406516 /nfs/dbraw/zinc/40/65/16/1072406516.db2.gz RZEZACGJKFQAEI-JJIJSVKVSA-N -1 0 529.279 5.608 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409337021 1072406950 /nfs/dbraw/zinc/40/69/50/1072406950.db2.gz VUDAPJSNNPGZRA-UHFFFAOYSA-N -1 0 652.068 5.299 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409336855 1072408127 /nfs/dbraw/zinc/40/81/27/1072408127.db2.gz VCBVQNAUQWILET-UHFFFAOYSA-N -1 0 561.480 6.503 40 30 KKEBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000409346663 1072415091 /nfs/dbraw/zinc/41/50/91/1072415091.db2.gz KYDCEMUYCLCVEQ-RGVLZGJSSA-N -1 0 586.514 5.516 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409337465 1072496079 /nfs/dbraw/zinc/49/60/79/1072496079.db2.gz VDQAVPQIPVXHBA-YYIIPSDLSA-N -1 0 656.365 6.473 40 30 KKEBRM Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409337451 1072496225 /nfs/dbraw/zinc/49/62/25/1072496225.db2.gz UYRKGQACTLMUKQ-ZDYYVWHCSA-N -1 0 508.466 6.635 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409352529 1072526917 /nfs/dbraw/zinc/52/69/17/1072526917.db2.gz ZMNKRWCSXHKWEO-OAQYLSRUSA-N -1 0 562.479 5.327 40 30 KKEBRM Cc1ccc(-c2oc(/N=C/c3cc(I)c([O-])c(I)c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409358650 1072617855 /nfs/dbraw/zinc/61/78/55/1072617855.db2.gz KWSQZPPDYSXVJN-AMVVHIIESA-N -1 0 644.250 7.768 40 30 KKEBRM N#Cc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409376110 1072623715 /nfs/dbraw/zinc/62/37/15/1072623715.db2.gz UOVTUAFSUUJGEK-RTWAWAEBSA-N -1 0 594.420 5.070 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccccc4C#N)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000409375161 1072632812 /nfs/dbraw/zinc/63/28/12/1072632812.db2.gz GOBFZEQJVPXNRL-WPWMEQJKSA-N -1 0 517.610 5.684 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000409149847 1072634090 /nfs/dbraw/zinc/63/40/90/1072634090.db2.gz SGYJXYDEMPFSCS-KVAAJVFYSA-N -1 0 552.970 7.865 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386668 1072686024 /nfs/dbraw/zinc/68/60/24/1072686024.db2.gz RCIFDIMMTHHGLR-XYRSFYCUSA-N -1 0 565.805 7.670 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)SC1=Nc1ccccc1 ZINC000409386193 1072688672 /nfs/dbraw/zinc/68/86/72/1072688672.db2.gz RGEZJGANDXAEDG-CLHPWSKPSA-N -1 0 522.579 5.206 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384947 1072695306 /nfs/dbraw/zinc/69/53/06/1072695306.db2.gz GZMAMUFBYFMJRK-XYRSFYCUSA-N -1 0 553.709 7.541 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409384551 1072697955 /nfs/dbraw/zinc/69/79/55/1072697955.db2.gz CSPKUOUJDCLECX-YZSQISJMSA-N -1 0 544.648 5.926 40 30 KKEBRM CCCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)SC1=Nc1ccccc1 ZINC000409384414 1072698931 /nfs/dbraw/zinc/69/89/31/1072698931.db2.gz CLPSKWMGYJXOLL-SGDOBAIKSA-N -1 0 519.692 6.747 40 30 KKEBRM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409166958 1072700670 /nfs/dbraw/zinc/70/06/70/1072700670.db2.gz HPCIXBOMEVXMLI-ZMOGYAJESA-N -1 0 593.455 6.233 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409382643 1072705929 /nfs/dbraw/zinc/70/59/29/1072705929.db2.gz WJLYDMAUWHRXCL-MIXAMLLLSA-N -1 0 612.704 5.712 40 30 KKEBRM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409173111 1072729461 /nfs/dbraw/zinc/72/94/61/1072729461.db2.gz JULOOUDFOIKAEX-ZMOGYAJESA-N -1 0 549.004 6.124 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409406000 1072760090 /nfs/dbraw/zinc/76/00/90/1072760090.db2.gz PPMOSUKXANIDTC-UHFFFAOYSA-N -1 0 556.800 5.224 40 30 KKEBRM O=C([O-])c1cc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)ccc1Cl ZINC000409186955 1072760909 /nfs/dbraw/zinc/76/09/09/1072760909.db2.gz KDBKYVXEWIVKCP-GATIEOLUSA-N -1 0 523.608 6.893 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409405743 1072761205 /nfs/dbraw/zinc/76/12/05/1072761205.db2.gz PCEAPBZWHUFAAJ-OAHLLOKOSA-N -1 0 570.827 5.612 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cccc2[N+](=O)[O-])cc1 ZINC000409402127 1072778532 /nfs/dbraw/zinc/77/85/32/1072778532.db2.gz CYVIFTAPKWLZQC-UHFFFAOYSA-N -1 0 520.501 5.131 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)cc1 ZINC000409401950 1072778903 /nfs/dbraw/zinc/77/89/03/1072778903.db2.gz FUFPROHVAKMCTL-UHFFFAOYSA-N -1 0 509.949 5.876 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)c1 ZINC000409401511 1072781570 /nfs/dbraw/zinc/78/15/70/1072781570.db2.gz DADMSTVPAHPBFW-UHFFFAOYSA-N -1 0 588.845 6.639 40 30 KKEBRM Cc1ccc(-c2csc3ncnc(SCC(=O)N=C4C=CC(=S(=O)([O-])NC5CCCC5)C=C4)c23)cc1 ZINC000409416022 1072784949 /nfs/dbraw/zinc/78/49/49/1072784949.db2.gz JSUPGSBPUJMKGP-UHFFFAOYSA-N -1 0 538.720 5.229 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409408552 1072815862 /nfs/dbraw/zinc/81/58/62/1072815862.db2.gz YKBKTCXZNAETBQ-UHFFFAOYSA-N -1 0 535.556 5.240 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409407599 1072820372 /nfs/dbraw/zinc/82/03/72/1072820372.db2.gz UVMBPMNESAMEIV-HNNXBMFYSA-N -1 0 615.278 5.721 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409191848 1072859752 /nfs/dbraw/zinc/85/97/52/1072859752.db2.gz ORWIEALYNZNKBR-JVWAILMASA-N -1 0 667.586 7.549 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409202472 1072913061 /nfs/dbraw/zinc/91/30/61/1072913061.db2.gz QXHNZLRXWPSOSG-VULFUBBASA-N -1 0 515.347 6.026 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)c(C)c1 ZINC000409202400 1072914082 /nfs/dbraw/zinc/91/40/82/1072914082.db2.gz SIPRJSFFJRYBME-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409200076 1072923705 /nfs/dbraw/zinc/92/37/05/1072923705.db2.gz GIIVCJNYMVNPTN-KTZUFFFVSA-N -1 0 517.047 6.105 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC001531095978 1072928121 /nfs/dbraw/zinc/92/81/21/1072928121.db2.gz YXNHRXSEDQOUPM-OXDZLNHXSA-N -1 0 595.288 5.352 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001531099694 1072928628 /nfs/dbraw/zinc/92/86/28/1072928628.db2.gz XNVMXAVKTBACSK-PPDIBHTLSA-N -1 0 528.790 5.950 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409208431 1072937976 /nfs/dbraw/zinc/93/79/76/1072937976.db2.gz BPQXKVDNFJXBJH-BRJLIKDPSA-N -1 0 503.190 6.548 40 30 KKEBRM COc1cc(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC001531142718 1072943193 /nfs/dbraw/zinc/94/31/93/1072943193.db2.gz RZHCZVWFCYLGOP-AQLQTECXSA-N -1 0 643.332 6.387 40 30 KKEBRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 ZINC000409207525 1072943197 /nfs/dbraw/zinc/94/31/97/1072943197.db2.gz VYOIUYVOWSNPES-ZRGSRPPYSA-N -1 0 550.780 5.985 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCC(=O)[O-] ZINC001531150655 1072946076 /nfs/dbraw/zinc/94/60/76/1072946076.db2.gz AFUHUWJXXXAEJZ-WMDMUMDLSA-N -1 0 601.679 5.227 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531201975 1072964672 /nfs/dbraw/zinc/96/46/72/1072964672.db2.gz IFMQNUSNZCMERF-AQLQTECXSA-N -1 0 643.332 6.387 40 30 KKEBRM CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C(=O)N1C(C)C ZINC000409210271 1072966026 /nfs/dbraw/zinc/96/60/26/1072966026.db2.gz JOTXVQZQKRLDAW-XDTDMHIPSA-N -1 0 517.445 5.815 40 30 KKEBRM COc1cc(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC001531203856 1072966118 /nfs/dbraw/zinc/96/61/18/1072966118.db2.gz VTPSPVFSAYEIIQ-AQLQTECXSA-N -1 0 598.881 6.278 40 30 KKEBRM C[C@@H](Oc1c(I)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-] ZINC001531217800 1072971386 /nfs/dbraw/zinc/97/13/86/1072971386.db2.gz MYONVZYPGCAQPK-UGGZHSSNSA-N -1 0 724.131 5.400 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531227090 1072976692 /nfs/dbraw/zinc/97/66/92/1072976692.db2.gz OHPADGFFKIHKDK-HWFREFBRSA-N -1 0 612.908 6.884 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)S/C1=N/c1ccc(OC)cc1 ZINC000409225266 1072979291 /nfs/dbraw/zinc/97/92/91/1072979291.db2.gz KFMWWRSITFGLNM-OLWMBYNHSA-N -1 0 538.625 6.750 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)S/C1=N/c1ccc(F)cc1 ZINC000409225219 1072979306 /nfs/dbraw/zinc/97/93/06/1072979306.db2.gz JYENUQVZCWBVAZ-BCYFLRKYSA-N -1 0 526.589 6.880 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC001531235827 1072988730 /nfs/dbraw/zinc/98/87/30/1072988730.db2.gz CMQZSJZUVYLPRU-XHWYIDKJSA-N -1 0 584.470 6.985 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001531238371 1072992766 /nfs/dbraw/zinc/99/27/66/1072992766.db2.gz KBPNIFJNAXQIFW-HRXXRIAWSA-N -1 0 534.410 5.832 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531244853 1072999179 /nfs/dbraw/zinc/99/91/79/1072999179.db2.gz FUXHWZXBBCJAHO-AMVVHIIESA-N -1 0 658.303 6.332 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N/c1ccc(OC)cc1 ZINC000409220782 1073003445 /nfs/dbraw/zinc/00/34/45/1073003445.db2.gz FQZKYSGFYZFVOK-FJQPQQQZSA-N -1 0 512.223 5.550 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531250019 1073006713 /nfs/dbraw/zinc/00/67/13/1073006713.db2.gz ZNLPAQOXDYKGMZ-YJDIGNJUSA-N -1 0 658.303 6.503 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC001531255000 1073008692 /nfs/dbraw/zinc/00/86/92/1073008692.db2.gz SVDGKZGSYMKVKK-LMWSZNASSA-N -1 0 595.288 5.568 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC001531255760 1073011496 /nfs/dbraw/zinc/01/14/96/1073011496.db2.gz MKLCXDWUXLRSBO-MZJWZYIUSA-N -1 0 508.372 5.650 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC001531256576 1073014257 /nfs/dbraw/zinc/01/42/57/1073014257.db2.gz OTJIVIVRSBEVIF-OLVSFFJFSA-N -1 0 542.430 5.144 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409229737 1073017997 /nfs/dbraw/zinc/01/79/97/1073017997.db2.gz UJKXLOZSSDLUHX-WSDLNYQXSA-N -1 0 634.879 6.430 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)S1 ZINC000409229768 1073018080 /nfs/dbraw/zinc/01/80/80/1073018080.db2.gz UURUELNIPRZFKZ-SRZZPIQSSA-N -1 0 547.847 7.124 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531263186 1073020813 /nfs/dbraw/zinc/02/08/13/1073020813.db2.gz ORUYNFSHTKTOMG-WGNGTQIVSA-N -1 0 568.855 6.485 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409229418 1073021672 /nfs/dbraw/zinc/02/16/72/1073021672.db2.gz OSBOABWJQOYXBW-INCVHPJASA-N -1 0 508.603 5.992 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000409228953 1073024930 /nfs/dbraw/zinc/02/49/30/1073024930.db2.gz HPJURHASCCMJGO-BXTIYYDHSA-N -1 0 571.655 5.884 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC001531268551 1073027131 /nfs/dbraw/zinc/02/71/31/1073027131.db2.gz HZRVVGKTDLFMDR-CCVNUDIWSA-N -1 0 521.415 5.408 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC001531269321 1073032173 /nfs/dbraw/zinc/03/21/73/1073032173.db2.gz YMXNBLJANYBNES-ZVYABZQBSA-N -1 0 724.131 5.445 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531269802 1073032987 /nfs/dbraw/zinc/03/29/87/1073032987.db2.gz KFGICFADWQJMBL-ZFQVWYPFSA-N -1 0 657.359 6.993 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC001531281977 1073046078 /nfs/dbraw/zinc/04/60/78/1073046078.db2.gz CXZYSGDMBCLZST-SFXOIRTMSA-N -1 0 642.288 5.410 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531282053 1073046387 /nfs/dbraw/zinc/04/63/87/1073046387.db2.gz HBCWHLBQPYCMCB-IPPBACCNSA-N -1 0 554.828 5.924 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531285458 1073054238 /nfs/dbraw/zinc/05/42/38/1073054238.db2.gz YJKAXRDBTYIXHR-MUFRIFMGSA-N -1 0 534.410 5.661 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531289474 1073056281 /nfs/dbraw/zinc/05/62/81/1073056281.db2.gz MFAFYZBGQQJJPM-ZNIRGWDNSA-N -1 0 660.306 6.437 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC001531289747 1073057472 /nfs/dbraw/zinc/05/74/72/1073057472.db2.gz VZZGWUFKPRWAML-YBGGJHSQSA-N -1 0 646.130 5.379 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC001531291437 1073060783 /nfs/dbraw/zinc/06/07/83/1073060783.db2.gz NSBTWQLYIDGZAD-KIBLKLHPSA-N -1 0 571.653 5.263 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531291587 1073061246 /nfs/dbraw/zinc/06/12/46/1073061246.db2.gz UHNFKYLNJYRQNG-JYSVBTJUSA-N -1 0 571.475 6.564 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC001531292534 1073063992 /nfs/dbraw/zinc/06/39/92/1073063992.db2.gz STHKOIKCKVHBNI-IVWJEFBKSA-N -1 0 571.653 5.262 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@@H](C)C(=O)[O-] ZINC001531292549 1073064377 /nfs/dbraw/zinc/06/43/77/1073064377.db2.gz UMZAWNYEBLXEJU-GNZFJNCUSA-N -1 0 551.235 5.169 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531296810 1073068530 /nfs/dbraw/zinc/06/85/30/1073068530.db2.gz YMWPJBNFFQBVJR-YJDIGNJUSA-N -1 0 658.303 6.503 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531297081 1073069682 /nfs/dbraw/zinc/06/96/82/1073069682.db2.gz MBSSCAPYTMQSSM-AMVVHIIESA-N -1 0 658.303 6.332 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000409230556 1073070141 /nfs/dbraw/zinc/07/01/41/1073070141.db2.gz FLEXPVYTSWRWBS-KEUDPWFOSA-N -1 0 562.651 6.512 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC001531297214 1073070414 /nfs/dbraw/zinc/07/04/14/1073070414.db2.gz OZBCCECHZVJYJX-UQJRAWQTSA-N -1 0 581.261 5.007 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531304651 1073082958 /nfs/dbraw/zinc/08/29/58/1073082958.db2.gz NTTAGCNKNKQQQN-AOAIAPAPSA-N -1 0 692.202 7.357 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531309907 1073085139 /nfs/dbraw/zinc/08/51/39/1073085139.db2.gz MVTYLLLFQSIZSH-UBGHKXEESA-N -1 0 623.460 6.139 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)SC2=Nc2ccccc2)cc1 ZINC000409244950 1073086068 /nfs/dbraw/zinc/08/60/68/1073086068.db2.gz LCBGEIRGYBGILB-UTPLIITBSA-N -1 0 561.638 7.331 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC001531309990 1073086117 /nfs/dbraw/zinc/08/61/17/1073086117.db2.gz GXNWMDFZTMKKPS-UZGQRAPBSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531312299 1073089959 /nfs/dbraw/zinc/08/99/59/1073089959.db2.gz QUEQPLFJLUAKDW-JNKHFKFZSA-N -1 0 647.751 7.248 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531312295 1073090051 /nfs/dbraw/zinc/09/00/51/1073090051.db2.gz QUEQPLFJLUAKDW-AOAIAPAPSA-N -1 0 647.751 7.248 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409243644 1073091668 /nfs/dbraw/zinc/09/16/68/1073091668.db2.gz XHMCJPQKMCOPMY-RWPZCVJISA-N -1 0 581.097 6.338 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409243015 1073094004 /nfs/dbraw/zinc/09/40/04/1073094004.db2.gz UJBWJDJTIYISPU-FYJGNVAPSA-N -1 0 514.676 5.354 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001531318714 1073095581 /nfs/dbraw/zinc/09/55/81/1073095581.db2.gz UWRYCVCFMDRWJB-MUFRIFMGSA-N -1 0 534.410 5.661 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531319153 1073096439 /nfs/dbraw/zinc/09/64/39/1073096439.db2.gz CODRVNMDKWKLCH-ZJIVOUCISA-N -1 0 579.407 5.740 40 30 KKEBRM CCN1C(=O)/C(=C\c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)S/C1=N/c1ccc(OC)cc1 ZINC000409241703 1073099793 /nfs/dbraw/zinc/09/97/93/1073099793.db2.gz LQZHXXHWBDTVFC-GDCDFEGDSA-N -1 0 518.591 5.605 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531325298 1073099982 /nfs/dbraw/zinc/09/99/82/1073099982.db2.gz LGHKLEGDVPTAKK-YJDIGNJUSA-N -1 0 613.852 6.394 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531326558 1073104633 /nfs/dbraw/zinc/10/46/33/1073104633.db2.gz OBTYUOCCVFRUQF-YJDIGNJUSA-N -1 0 613.852 6.394 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531326588 1073105571 /nfs/dbraw/zinc/10/55/71/1073105571.db2.gz JMRITZWAVAWVNV-RTHFECFVSA-N -1 0 598.881 6.494 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409239409 1073114507 /nfs/dbraw/zinc/11/45/07/1073114507.db2.gz PUMYAMXMTMJOOZ-FDAWAROLSA-N -1 0 574.706 6.500 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC001531337332 1073123165 /nfs/dbraw/zinc/12/31/65/1073123165.db2.gz YIAYXPHXLDSNCA-XOUCVQQTSA-N -1 0 535.442 5.969 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531340477 1073127018 /nfs/dbraw/zinc/12/70/18/1073127018.db2.gz BACIAHQJLXBNJM-UBGHKXEESA-N -1 0 594.462 5.849 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)c([O-])c(I)c2)S1 ZINC000409237406 1073127683 /nfs/dbraw/zinc/12/76/83/1073127683.db2.gz WMSCUORAOLRBFA-VGOFMYFVSA-N -1 0 549.615 5.613 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531347659 1073139542 /nfs/dbraw/zinc/13/95/42/1073139542.db2.gz RITBLNVBDXQKNT-YTFKJPEKSA-N -1 0 691.804 7.647 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1)C(=O)[O-] ZINC001531385490 1073167262 /nfs/dbraw/zinc/16/72/62/1073167262.db2.gz KAFPMBDSOHEBNV-ZKJHFGPLSA-N -1 0 526.774 5.214 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC001531385544 1073167875 /nfs/dbraw/zinc/16/78/75/1073167875.db2.gz VGLPMCGCMGPTFA-KBVAKVRCSA-N -1 0 554.400 5.985 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC001531385642 1073168660 /nfs/dbraw/zinc/16/86/60/1073168660.db2.gz WZGPGEUHLATKSY-QXUDOOCXSA-N -1 0 525.564 6.376 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC001531385728 1073169891 /nfs/dbraw/zinc/16/98/91/1073169891.db2.gz UXYFJPKRGPZGLJ-KPGMTVGESA-N -1 0 588.845 6.639 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)cc21 ZINC000409276200 1073292135 /nfs/dbraw/zinc/29/21/35/1073292135.db2.gz OYCBUPHLMPNCQL-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(O[C@H](C)C(=O)[O-])c(I)c3)cc21 ZINC000409274946 1073304690 /nfs/dbraw/zinc/30/46/90/1073304690.db2.gz GWYRGDGMHSWWCG-CQSZACIVSA-N -1 0 735.272 5.762 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OCC)c2)cc1C(C)C ZINC000409274668 1073308310 /nfs/dbraw/zinc/30/83/10/1073308310.db2.gz FORVTYWSIKNBQE-FQEVSTJZSA-N -1 0 592.092 6.680 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409273991 1073315044 /nfs/dbraw/zinc/31/50/44/1073315044.db2.gz BERZZBQFFGUUND-UHFFFAOYSA-N -1 0 546.023 6.266 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1 ZINC000409276754 1073326187 /nfs/dbraw/zinc/32/61/87/1073326187.db2.gz VXKPGQGRHRYDNU-UHFFFAOYSA-N -1 0 644.481 7.885 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409276567 1073330629 /nfs/dbraw/zinc/33/06/29/1073330629.db2.gz SWKWMUUOAOIQKT-UHFFFAOYSA-N -1 0 622.397 7.004 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409287262 1073337152 /nfs/dbraw/zinc/33/71/52/1073337152.db2.gz ZTBNELSTSOCBGS-UHFFFAOYSA-N -1 0 530.506 6.070 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)n([C@@H](C)C(=O)[O-])c3ccccc23)cc1C(C)C ZINC000409287167 1073338266 /nfs/dbraw/zinc/33/82/66/1073338266.db2.gz YZFGVFUOEDXWHA-NRFANRHFSA-N -1 0 536.632 6.295 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409286687 1073343005 /nfs/dbraw/zinc/34/30/05/1073343005.db2.gz ZIKLRPSJBHLBHC-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409286585 1073344997 /nfs/dbraw/zinc/34/49/97/1073344997.db2.gz WNYAKRKFTWRHPO-LJQANCHMSA-N -1 0 537.572 5.671 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409286418 1073346472 /nfs/dbraw/zinc/34/64/72/1073346472.db2.gz WDVPNYFYIUPOAI-UHFFFAOYSA-N -1 0 636.630 7.649 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409286320 1073348793 /nfs/dbraw/zinc/34/87/93/1073348793.db2.gz PSZSDSKMPBTCDV-UHFFFAOYSA-N -1 0 604.501 6.353 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br)C(=O)[O-] ZINC000409286005 1073351546 /nfs/dbraw/zinc/35/15/46/1073351546.db2.gz VHSMMBIBFZGSLO-CYBMUJFWSA-N -1 0 594.771 6.232 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409285861 1073353126 /nfs/dbraw/zinc/35/31/26/1073353126.db2.gz XTXIZYXGGRPPAA-UHFFFAOYSA-N -1 0 548.821 5.214 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409285735 1073354773 /nfs/dbraw/zinc/35/47/73/1073354773.db2.gz WXEDSPGDJZFDOG-UHFFFAOYSA-N -1 0 573.628 6.576 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409284927 1073361938 /nfs/dbraw/zinc/36/19/38/1073361938.db2.gz SHGZRPJQPLEDIC-GOSISDBHSA-N -1 0 655.489 5.851 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409284982 1073362517 /nfs/dbraw/zinc/36/25/17/1073362517.db2.gz VURDCNLQWKXAPA-UHFFFAOYSA-N -1 0 692.202 7.141 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)cc21 ZINC000409284841 1073364189 /nfs/dbraw/zinc/36/41/89/1073364189.db2.gz RYVIVJVRPUNVJX-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409284888 1073364322 /nfs/dbraw/zinc/36/43/22/1073364322.db2.gz URVOCZWALQRAEY-UHFFFAOYSA-N -1 0 604.575 6.276 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1C(C)C ZINC000409284522 1073366801 /nfs/dbraw/zinc/36/68/01/1073366801.db2.gz UQLYKQNIZGMZOL-UHFFFAOYSA-N -1 0 610.110 7.707 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)o1 ZINC000409284441 1073369153 /nfs/dbraw/zinc/36/91/53/1073369153.db2.gz SXYVBLPWUFAALD-UHFFFAOYSA-N -1 0 517.463 6.231 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409284010 1073374056 /nfs/dbraw/zinc/37/40/56/1073374056.db2.gz RYQNRKRBZIOGDT-UHFFFAOYSA-N -1 0 764.370 7.735 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCC(=O)[O-])cc1 ZINC000409283779 1073374612 /nfs/dbraw/zinc/37/46/12/1073374612.db2.gz PYPRMBIKYIFLPN-UHFFFAOYSA-N -1 0 551.441 5.210 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409282901 1073384398 /nfs/dbraw/zinc/38/43/98/1073384398.db2.gz PKWFHJOZLHXYAO-QGZVFWFLSA-N -1 0 612.908 6.654 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409282840 1073387302 /nfs/dbraw/zinc/38/73/02/1073387302.db2.gz OGJVMJKAXGTWME-UHFFFAOYSA-N -1 0 534.012 5.893 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409282689 1073388780 /nfs/dbraw/zinc/38/87/80/1073388780.db2.gz PIXCEKVWDZEOIJ-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4cccc(C(=O)[O-])c4)cc3Br)cc21 ZINC000409282478 1073389929 /nfs/dbraw/zinc/38/99/29/1073389929.db2.gz OQRVFGOODYZFJM-UHFFFAOYSA-N -1 0 654.473 6.749 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409282154 1073392702 /nfs/dbraw/zinc/39/27/02/1073392702.db2.gz GGKGALMVFWZTSH-UHFFFAOYSA-N -1 0 650.688 6.970 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409282245 1073393844 /nfs/dbraw/zinc/39/38/44/1073393844.db2.gz GKVSGRGIJPCECC-OAHLLOKOSA-N -1 0 562.376 5.315 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC000409282010 1073394082 /nfs/dbraw/zinc/39/40/82/1073394082.db2.gz NUGLITNQXNXIAR-LLVKDONJSA-N -1 0 630.131 5.716 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1C(C)C ZINC000409282008 1073394140 /nfs/dbraw/zinc/39/41/40/1073394140.db2.gz FUCWMOJEZNDEND-UHFFFAOYSA-N -1 0 731.587 7.667 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409281570 1073399093 /nfs/dbraw/zinc/39/90/93/1073399093.db2.gz MWNKDVXAZTXDJK-GOSISDBHSA-N -1 0 608.489 6.009 40 30 KKEBRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)/C(=N/NC(N)=S)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-] ZINC000253504520 291529671 /nfs/dbraw/zinc/52/96/71/291529671.db2.gz GNMBGIPFQQWAMF-IOCLTRJVSA-N -1 0 527.819 7.228 40 30 biogenic,in-vitro KKEBRM COc1cc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(Br)c(Br)c1[O-] ZINC000003210749 552305373 /nfs/dbraw/zinc/30/53/73/552305373.db2.gz AAZJQZQYBUIITK-KIBLKLHPSA-N -1 0 536.607 7.138 40 30 KKEBRM O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N/[O-] ZINC000003219814 552309254 /nfs/dbraw/zinc/30/92/54/552309254.db2.gz MMCVADODFDDANY-MUXKCCDJSA-N -1 0 543.279 5.038 40 30 KKEBRM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000005921587 552512692 /nfs/dbraw/zinc/51/26/92/552512692.db2.gz MIGSIQAGBLPGCE-QFIPXVFZSA-N -1 0 523.339 5.539 40 30 KKEBRM [O-]c1c(Cl)cc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000006473785 552592027 /nfs/dbraw/zinc/59/20/27/552592027.db2.gz QDJUVVGXCYWXKT-DHRITJCHSA-N -1 0 510.783 5.926 40 30 KKEBRM CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]43C)[C@]2(C)CC[C@@H]1OC(C)=O ZINC000008655665 553108714 /nfs/dbraw/zinc/10/87/14/553108714.db2.gz KBLYXYBUIJSJAE-QKYGPSRRSA-N -1 0 570.767 6.527 40 30 KKEBRM CC(N=Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000012537932 553387976 /nfs/dbraw/zinc/38/79/76/553387976.db2.gz MKYXYUGIXCHYJF-DHRITJCHSA-N -1 0 510.906 5.487 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000012653786 553410134 /nfs/dbraw/zinc/41/01/34/553410134.db2.gz AQMODJGOUNSMFD-MTDXEUNCSA-N -1 0 500.580 6.125 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000012660475 553411754 /nfs/dbraw/zinc/41/17/54/553411754.db2.gz UERBGZSPLHPNNH-PXQNEPCRSA-N -1 0 521.654 5.225 40 30 KKEBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccccc1C#N ZINC000015011970 553525403 /nfs/dbraw/zinc/52/54/03/553525403.db2.gz ZYQYOOUESJWXBG-ZMOGYAJESA-N -1 0 516.600 5.640 40 30 KKEBRM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000015162185 553528425 /nfs/dbraw/zinc/52/84/25/553528425.db2.gz HJWRVGIQAMOVEU-FQEVSTJZSA-N -1 0 513.731 5.794 40 30 KKEBRM Cc1cc2nc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])c3)oc2c(C)c1 ZINC000016268779 553558039 /nfs/dbraw/zinc/55/80/39/553558039.db2.gz AJKOZHMYDNNFNE-WCMJOSRZSA-N -1 0 511.965 7.720 40 30 KKEBRM Cc1ccc(COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000016292451 553559025 /nfs/dbraw/zinc/55/90/25/553559025.db2.gz VJPFGHZZUMMANS-UHFFFAOYSA-N -1 0 527.661 6.344 40 30 KKEBRM O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1c([O-])cc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000072130396 553641759 /nfs/dbraw/zinc/64/17/59/553641759.db2.gz POBAJWKYWOQRCS-DYTRJAOYSA-N -1 0 542.631 8.025 40 30 in-vitro KKEBRM N#Cc1c(=O)[n-]c(-c2cc(Cl)ccc2O)cc1-c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000096934620 553758221 /nfs/dbraw/zinc/75/82/21/553758221.db2.gz NZRBRJQYGLEINZ-UHFFFAOYSA-N -1 0 534.999 7.098 40 30 in-vitro KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000097980712 553990612 /nfs/dbraw/zinc/99/06/12/553990612.db2.gz QASYGLKIOGTULW-QDTIIGTASA-N -1 0 572.493 5.443 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\C4CCCCC4)N(C4CCCCC4)C3=O)o2)c1 ZINC000034793773 554008923 /nfs/dbraw/zinc/00/89/23/554008923.db2.gz WCRVTBUFVKKDMH-HVSIYQNKSA-N -1 0 513.059 7.236 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000035361946 554044683 /nfs/dbraw/zinc/04/46/83/554044683.db2.gz YSTHYYPRYHADNW-BLAXORFUSA-N -1 0 521.654 5.152 40 30 KKEBRM O=C([O-])CCCCCN1C(=O)C(=Nc2ccccc2)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000098005131 554057135 /nfs/dbraw/zinc/05/71/35/554057135.db2.gz RFYKDHLXHAHRAN-MHZLTWQESA-N -1 0 626.345 6.989 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000035656348 554061985 /nfs/dbraw/zinc/06/19/85/554061985.db2.gz DORDEVNBJOJJSG-KOAGXIKISA-N -1 0 523.010 6.250 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000035656590 554061991 /nfs/dbraw/zinc/06/19/91/554061991.db2.gz UJANGONKNXTFMK-KSUKIFKWSA-N -1 0 523.010 6.250 40 30 KKEBRM O=C([O-])c1ccc(N/N=C2\SC(=O)N=C2N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036633781 554229752 /nfs/dbraw/zinc/22/97/52/554229752.db2.gz MIFALFUKUWCQRB-PDQUCZHJSA-N -1 0 503.971 5.880 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000100236658 554258590 /nfs/dbraw/zinc/25/85/90/554258590.db2.gz MWLCCAKTSXMXTF-MSPQWDQXSA-N -1 0 612.538 8.499 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC000100314941 554302403 /nfs/dbraw/zinc/30/24/03/554302403.db2.gz PCGMTANTSUUINT-UHFFFAOYSA-N -1 0 581.301 5.648 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100328889 554310944 /nfs/dbraw/zinc/31/09/44/554310944.db2.gz HPOHKGREBAHZOG-PXXPJWQOSA-N -1 0 571.655 5.884 40 30 KKEBRM COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3s2)c1 ZINC000100331170 554313758 /nfs/dbraw/zinc/31/37/58/554313758.db2.gz OLXAKTFSENKIFT-BRJLIKDPSA-N -1 0 524.580 5.409 40 30 KKEBRM C/C(=N\c1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100370471 554356083 /nfs/dbraw/zinc/35/60/83/554356083.db2.gz AZBJSUWDROTVPJ-DHRITJCHSA-N -1 0 523.299 5.416 40 30 KKEBRM O=[N+]([O-])c1cc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)ccc1[O-] ZINC000059472560 554396587 /nfs/dbraw/zinc/39/65/87/554396587.db2.gz DCOYIJBNHKVYNP-WKULSOCRSA-N -1 0 509.612 7.524 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000100458047 554397190 /nfs/dbraw/zinc/39/71/90/554397190.db2.gz YIEGJYDYBDQCDK-PKAZHMFMSA-N -1 0 529.276 5.658 40 30 KKEBRM COc1ccc(C(c2ccccc2)(c2ccccc2)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CS)C(=O)[O-])cc1 ZINC000100497657 554404867 /nfs/dbraw/zinc/40/48/67/554404867.db2.gz PDVNWKGBMMYVQA-DHUJRADRSA-N -1 0 615.751 7.621 40 30 KKEBRM C[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@H]1O ZINC000100570919 554421850 /nfs/dbraw/zinc/42/18/50/554421850.db2.gz FMRFCBBDHDGKKZ-URFARTDKSA-N -1 0 600.837 6.294 40 30 KKEBRM C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@@H]1O ZINC000100570925 554422152 /nfs/dbraw/zinc/42/21/52/554422152.db2.gz FMRFCBBDHDGKKZ-LPWZEGSZSA-N -1 0 600.837 6.294 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059679398 554424356 /nfs/dbraw/zinc/42/43/56/554424356.db2.gz WFOVVNIQXHNWSX-FMCGGJTJSA-N -1 0 508.983 5.826 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100928119 554525339 /nfs/dbraw/zinc/52/53/39/554525339.db2.gz WLFYKRVTNWJLRL-CTMKFROTSA-N -1 0 585.451 6.498 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100928131 554525382 /nfs/dbraw/zinc/52/53/82/554525382.db2.gz BUCAKFXXMZWTIS-VRAFJUTDSA-N -1 0 592.298 7.267 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000100938856 554531579 /nfs/dbraw/zinc/53/15/79/554531579.db2.gz BDUDIVNFMLKASZ-GXMXPRDMSA-N -1 0 543.428 6.513 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100939194 554532020 /nfs/dbraw/zinc/53/20/20/554532020.db2.gz UGWFSXVLTFQOFU-OQTNSEPCSA-N -1 0 592.298 7.267 40 30 KKEBRM 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TUYYNENAMDZCBX-HKWRFOASSA-N -1 0 501.048 5.919 40 30 KKEBRM C=CCc1cc([N+](=O)[O-])cc(C=Nc2sc3c(c2C(=O)OCC)CCN(Cc2ccccc2)C3)c1[O-] ZINC000245229162 572206369 /nfs/dbraw/zinc/20/63/69/572206369.db2.gz PFYMPXPHFLMRNK-UHFFFAOYSA-N -1 0 505.596 5.576 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1 ZINC000408540791 572207073 /nfs/dbraw/zinc/20/70/73/572207073.db2.gz VXNIUJJAAXWJMT-CLCOLTQESA-N -1 0 508.615 5.890 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000408545492 572219122 /nfs/dbraw/zinc/21/91/22/572219122.db2.gz ZFWROUOHUCLCIG-LCVMYJMFSA-N -1 0 616.699 7.317 40 30 KKEBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OCc4ccc(C#N)cc4)c(Br)c3)C(=O)[O-])o2)c1 ZINC000408631374 572287451 /nfs/dbraw/zinc/28/74/51/572287451.db2.gz DNWNTXANLHLFMY-VROXFSQNSA-N -1 0 594.443 6.185 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408632158 572288437 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/nfs/dbraw/zinc/29/02/74/572290274.db2.gz NRUBXEJFEBSMAJ-KSEXSDGBSA-N -1 0 675.888 6.680 40 30 KKEBRM Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408633620 572290326 /nfs/dbraw/zinc/29/03/26/572290326.db2.gz KYIIXMAADQJNOD-UUYOSTAYSA-N -1 0 537.066 6.827 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633877 572290698 /nfs/dbraw/zinc/29/06/98/572290698.db2.gz QEEYQBIVNWSIIC-MYYYXRDXSA-N -1 0 547.036 6.295 40 30 KKEBRM C=CCOc1c(I)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1I ZINC000408633852 572290728 /nfs/dbraw/zinc/29/07/28/572290728.db2.gz MMLFJJFIQZQWMI-PDGQHHTCSA-N -1 0 693.732 6.610 40 30 KKEBRM C=CCn1c(C)c(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])c2ccccc21 ZINC000408634203 572291060 /nfs/dbraw/zinc/29/10/60/572291060.db2.gz RZZNWVUCLAUJGX-JLPGSUDCSA-N -1 0 504.612 5.649 40 30 KKEBRM N#Cc1ccc(COc2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])cc2Br)cc1 ZINC000408634120 572291111 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/nfs/dbraw/zinc/30/33/06/572303306.db2.gz UJWLPUQWSDDEMJ-UHFFFAOYSA-N -1 0 531.395 8.039 40 30 KKEBRM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000254791619 572303518 /nfs/dbraw/zinc/30/35/18/572303518.db2.gz OCKQLONWWZWAFF-PNBCJKOFSA-N -1 0 532.625 6.504 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408933396 1069758333 /nfs/dbraw/zinc/75/83/33/1069758333.db2.gz JHRYJLHVCMRZSZ-QHMIWGDOSA-N -1 0 647.124 7.968 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408933039 1069756797 /nfs/dbraw/zinc/75/67/97/1069756797.db2.gz GXKDNZCNFPCUFM-WTYMUMGDSA-N -1 0 617.521 7.430 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408938795 1069759683 /nfs/dbraw/zinc/75/96/83/1069759683.db2.gz SHEFZFKUQVUAFO-QHMIWGDOSA-N -1 0 755.030 8.433 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408982904 1069766669 /nfs/dbraw/zinc/76/66/69/1069766669.db2.gz IUFSGBKWNDCDCO-QRVIBDJDSA-N -1 0 574.431 5.527 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408991214 1069768296 /nfs/dbraw/zinc/76/82/96/1069768296.db2.gz PSNPTTCMDOMTQE-XYGWBWBKSA-N -1 0 541.560 5.140 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409087434 1069772319 /nfs/dbraw/zinc/77/23/19/1069772319.db2.gz YSDKRJVUJFIWKK-UHFFFAOYSA-N -1 0 581.965 5.837 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091388 1069775642 /nfs/dbraw/zinc/77/56/42/1069775642.db2.gz QDFDTSAZZPYIMH-UHFFFAOYSA-N -1 0 617.611 5.921 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000409089413 1069775791 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C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408778371 1069896965 /nfs/dbraw/zinc/89/69/65/1069896965.db2.gz SHYOQNBNQPJXLP-BUVRLJJBSA-N -1 0 595.877 6.475 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408778826 1069899231 /nfs/dbraw/zinc/89/92/31/1069899231.db2.gz LYOIQJOFASCIPW-AFUMVMLFSA-N -1 0 570.443 5.912 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408784616 1069912217 /nfs/dbraw/zinc/91/22/17/1069912217.db2.gz VYUNOWIZYPXXFM-PCLIKHOPSA-N -1 0 622.459 5.972 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408781417 1069915635 /nfs/dbraw/zinc/91/56/35/1069915635.db2.gz SEFUWRKSZIRBCC-WGOQTCKBSA-N -1 0 521.573 5.239 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408787187 1069923763 /nfs/dbraw/zinc/92/37/63/1069923763.db2.gz UCYUEEXHCQKKBL-ZVHZXABRSA-N -1 0 565.453 6.674 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408792955 1069925866 /nfs/dbraw/zinc/92/58/66/1069925866.db2.gz MRLBVVZFMWULKE-CTMKFROTSA-N -1 0 740.357 6.806 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000408794245 1069926311 /nfs/dbraw/zinc/92/63/11/1069926311.db2.gz RPNKYRBDRWMJQN-HSZRJFAPSA-N -1 0 550.394 6.012 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I ZINC000408794957 1069927115 /nfs/dbraw/zinc/92/71/15/1069927115.db2.gz JSFSDXGBXXOGNB-ANVDJJBOSA-N -1 0 646.244 5.393 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OC ZINC000408825928 1070001792 /nfs/dbraw/zinc/00/17/92/1070001792.db2.gz SCEZHNLAXBNMBN-PWRNKBSVSA-N -1 0 660.170 7.457 40 30 KKEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OCC ZINC000408826201 1070003158 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C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCC#N ZINC000408852106 1070058852 /nfs/dbraw/zinc/05/88/52/1070058852.db2.gz IIKRONIFGYKQKZ-JFLMPSFJSA-N -1 0 551.643 5.460 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408849831 1070063407 /nfs/dbraw/zinc/06/34/07/1070063407.db2.gz ZMIOGFAODGEEHQ-FSJBWODESA-N -1 0 614.323 7.347 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408849799 1070063628 /nfs/dbraw/zinc/06/36/28/1070063628.db2.gz ZDYWZVVOJWIPJF-KCSSXMTESA-N -1 0 617.702 7.037 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408850806 1070065035 /nfs/dbraw/zinc/06/50/35/1070065035.db2.gz RMHCSSSBKLRBSV-DEDYPNTBSA-N -1 0 598.464 6.049 40 30 KKEBRM CC/N=C1\S/C(=C\c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C(=O)N1CC ZINC000408853385 1070069987 /nfs/dbraw/zinc/06/99/87/1070069987.db2.gz OFZWBBUCWZBRNA-IMJVWOFVSA-N -1 0 533.444 5.437 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408855408 1070074810 /nfs/dbraw/zinc/07/48/10/1070074810.db2.gz MQEZDBYEIKTISJ-PCLIKHOPSA-N -1 0 500.982 5.931 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408859150 1070080795 /nfs/dbraw/zinc/08/07/95/1070080795.db2.gz LXPWXQASWZYQQX-FOKLQQMPSA-N -1 0 732.356 6.042 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1cc(C)ccc1C ZINC000408905904 1070178902 /nfs/dbraw/zinc/17/89/02/1070178902.db2.gz GELVSJOSLOHJRI-HBAVDNSESA-N -1 0 604.251 5.842 40 30 KKEBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408907027 1070181411 /nfs/dbraw/zinc/18/14/11/1070181411.db2.gz LDBJHNVSRXGXID-KLUIENCOSA-N -1 0 652.295 6.448 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408908659 1070195045 /nfs/dbraw/zinc/19/50/45/1070195045.db2.gz AVSKNRLDSKZGKO-CIFGJUBISA-N -1 0 558.295 7.343 40 30 KKEBRM CC(C)N1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccccc1 ZINC000408911548 1070204474 /nfs/dbraw/zinc/20/44/74/1070204474.db2.gz ZWCVZKXXEOEGIE-HDKKRFQTSA-N -1 0 590.224 5.614 40 30 KKEBRM CC[C@@H](C)N1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911901 1070205000 /nfs/dbraw/zinc/20/50/00/1070205000.db2.gz OUWUKATYPWAUOF-NJYDWCNVSA-N -1 0 618.278 6.312 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408917284 1070207733 /nfs/dbraw/zinc/20/77/33/1070207733.db2.gz QJGFEGPOEOFMIA-XEHMSHFTSA-N -1 0 628.106 6.869 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2C2CCCCC2)cc1 ZINC000408914639 1070214312 /nfs/dbraw/zinc/21/43/12/1070214312.db2.gz VLAOTGWXMOQQQG-YQMVTHACSA-N -1 0 521.038 7.543 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccco4)C3=O)cc2I)cc1 ZINC000408916724 1070221614 /nfs/dbraw/zinc/22/16/14/1070221614.db2.gz GNILEPNHIQLTIA-VHOCVAHHSA-N -1 0 636.467 6.966 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408931192 1070262833 /nfs/dbraw/zinc/26/28/33/1070262833.db2.gz IHJKCYBKSDRMJU-HFQNTTPTSA-N -1 0 626.485 6.575 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OC(C)C ZINC000408933043 1070264370 /nfs/dbraw/zinc/26/43/70/1070264370.db2.gz GYCITYOWMQFWBJ-WWIYBSSESA-N -1 0 566.417 5.327 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408933376 1070265907 /nfs/dbraw/zinc/26/59/07/1070265907.db2.gz IZJVBUCMVRVEOD-YSKQPDFISA-N -1 0 587.097 7.711 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935820 1070274391 /nfs/dbraw/zinc/27/43/91/1070274391.db2.gz NYERXUASKSJBLT-KELHKHCHSA-N -1 0 647.522 7.678 40 30 KKEBRM Cc1cccc(COc2c(Br)cc(/C=C3\S/C(=N\c4cccc(C(=O)[O-])c4C)N(C)C3=O)cc2Br)c1 ZINC000408936765 1070277996 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ZINC000408951747 1070310339 /nfs/dbraw/zinc/31/03/39/1070310339.db2.gz JZDRRSZLYZKSGU-OEAKJJBVSA-N -1 0 630.460 5.867 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=Nc2ccccc2)cc1 ZINC000408960130 1070322775 /nfs/dbraw/zinc/32/27/75/1070322775.db2.gz CCYMPAPMDDRJSH-UHJIOYGOSA-N -1 0 524.598 6.766 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408965226 1070331253 /nfs/dbraw/zinc/33/12/53/1070331253.db2.gz UUSWYTKKEVHAAH-LPYMAVHISA-N -1 0 569.433 5.635 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408965821 1070331690 /nfs/dbraw/zinc/33/16/90/1070331690.db2.gz MIFVUWWANPCLEF-RGVLZGJSSA-N -1 0 563.846 6.824 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408966925 1070331959 /nfs/dbraw/zinc/33/19/59/1070331959.db2.gz RHWDGJKWKIFFAU-CIAFOILYSA-N -1 0 669.324 7.166 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408992918 1070358811 /nfs/dbraw/zinc/35/88/11/1070358811.db2.gz UZNAWVBRMDARDZ-QRVIBDJDSA-N -1 0 561.978 5.539 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)S2)cc1 ZINC000408993131 1070368264 /nfs/dbraw/zinc/36/82/64/1070368264.db2.gz USVGNSQHSCUINQ-YVLHZVERSA-N -1 0 524.561 5.539 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408993317 1070368384 /nfs/dbraw/zinc/36/83/84/1070368384.db2.gz WDSCGRDIZVPNHS-OYKKKHCWSA-N -1 0 531.008 5.939 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000408997663 1070368654 /nfs/dbraw/zinc/36/86/54/1070368654.db2.gz NWTKPTSMXASTSI-UQQQWYQISA-N -1 0 545.613 5.906 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)cc2I)cc1 ZINC000409002716 1070379191 /nfs/dbraw/zinc/37/91/91/1070379191.db2.gz WKZVCPWBLRKBBZ-HXOXSGNQSA-N -1 0 786.429 7.846 40 30 KKEBRM O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)cc(Br)c1[O-])C1c3ccccc3C2c2ccccc21 ZINC000409047239 1070458954 /nfs/dbraw/zinc/45/89/54/1070458954.db2.gz NTKPKXBUNSCLRH-FTQCWTENSA-N -1 0 552.222 5.143 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409052193 1070468304 /nfs/dbraw/zinc/46/83/04/1070468304.db2.gz CBQBDVODWYYBHZ-AQDZEODZSA-N -1 0 547.847 7.158 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccccc1F ZINC000409063879 1070479658 /nfs/dbraw/zinc/47/96/58/1070479658.db2.gz ALUCYFDESIVBRU-UHFFFAOYSA-N -1 0 573.661 6.420 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccccc2F)C2=C1CCCC2=O ZINC000409066093 1070482495 /nfs/dbraw/zinc/48/24/95/1070482495.db2.gz LOSRSBXOLYUQLA-UHFFFAOYSA-N -1 0 558.433 6.600 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409066354 1070482671 /nfs/dbraw/zinc/48/26/71/1070482671.db2.gz MSRNFSLRXYQOSM-LPYMAVHISA-N -1 0 534.971 5.770 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409067069 1070483203 /nfs/dbraw/zinc/48/32/03/1070483203.db2.gz NQLGBEHOFRNMCM-PCLIKHOPSA-N -1 0 541.560 5.276 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409067568 1070483970 /nfs/dbraw/zinc/48/39/70/1070483970.db2.gz FIPMAMMORQSAKF-PCLIKHOPSA-N -1 0 547.007 5.721 40 30 KKEBRM CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409067323 1070484125 /nfs/dbraw/zinc/48/41/25/1070484125.db2.gz QFOMJJFCTIGMCW-UHFFFAOYSA-N -1 0 509.643 5.644 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409075794 1070489134 /nfs/dbraw/zinc/48/91/34/1070489134.db2.gz UHADVGKQSBHXQS-UHFFFAOYSA-N -1 0 683.583 7.283 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409069980 1070495648 /nfs/dbraw/zinc/49/56/48/1070495648.db2.gz MMOHKGDMRJQKLK-UHFFFAOYSA-N -1 0 624.547 7.328 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409072412 1070498254 /nfs/dbraw/zinc/49/82/54/1070498254.db2.gz NJVSNXLPJNACRL-UHFFFAOYSA-N -1 0 592.132 6.949 40 30 KKEBRM O=C([O-])c1ccc(COc2cccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)c2)cc1 ZINC000409084384 1070509946 /nfs/dbraw/zinc/50/99/46/1070509946.db2.gz XWEZGKLZJHDVRI-UQLAIIKNSA-N -1 0 506.583 6.772 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091270 1070526504 /nfs/dbraw/zinc/52/65/04/1070526504.db2.gz SFDOFHGLXWMGQI-UHFFFAOYSA-N -1 0 668.099 7.118 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091224 1070526554 /nfs/dbraw/zinc/52/65/54/1070526554.db2.gz RTJDKCQSAYXGJQ-SJJYLRMESA-N -1 0 637.972 9.349 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N\c1cccc(I)c1 ZINC000409109202 1070535984 /nfs/dbraw/zinc/53/59/84/1070535984.db2.gz ZLMNECHPTCXKNY-IDUWFGFVSA-N -1 0 527.925 5.115 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409200197 1070625913 /nfs/dbraw/zinc/62/59/13/1070625913.db2.gz GYNDMGKWFCINNO-KZINRLMESA-N -1 0 594.471 5.666 40 30 KKEBRM Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409215833 1070638872 /nfs/dbraw/zinc/63/88/72/1070638872.db2.gz FQCYIRCXGHYYSK-KBKYJPHKSA-N -1 0 537.635 7.201 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409241134 1070668621 /nfs/dbraw/zinc/66/86/21/1070668621.db2.gz IZHKQUFRSVBUIP-GQINGBAWSA-N -1 0 558.223 5.438 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409277293 1070702184 /nfs/dbraw/zinc/70/21/84/1070702184.db2.gz BNJFBYYNTISQEU-HNNXBMFYSA-N -1 0 610.848 6.358 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409285922 1070722746 /nfs/dbraw/zinc/72/27/46/1070722746.db2.gz PFCCXWYBAHJEAJ-LJQANCHMSA-N -1 0 592.490 6.391 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409279530 1070727559 /nfs/dbraw/zinc/72/75/59/1070727559.db2.gz IAAKOLNUBJBBOW-CQSZACIVSA-N -1 0 552.370 5.859 40 30 KKEBRM O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)cc1[N+](=O)[O-] ZINC000409280167 1070728564 /nfs/dbraw/zinc/72/85/64/1070728564.db2.gz JTQMFIRKWVKVIK-UHFFFAOYSA-N -1 0 597.765 5.479 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409282498 1070733867 /nfs/dbraw/zinc/73/38/67/1070733867.db2.gz OSJAYNVCVBQHEH-IBGZPJMESA-N -1 0 715.439 7.552 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409282413 1070734037 /nfs/dbraw/zinc/73/40/37/1070734037.db2.gz GSEQZWASGUHHAP-UHFFFAOYSA-N -1 0 594.023 7.021 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000409283752 1070738023 /nfs/dbraw/zinc/73/80/23/1070738023.db2.gz SWUPABJNAXGBHA-UHFFFAOYSA-N -1 0 601.251 5.398 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409284819 1070740662 /nfs/dbraw/zinc/74/06/62/1070740662.db2.gz MDUREXNTSYLHAR-UHFFFAOYSA-N -1 0 526.774 5.280 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409284054 1070738584 /nfs/dbraw/zinc/73/85/84/1070738584.db2.gz SUFUFQGZJQHGHP-UHFFFAOYSA-N -1 0 647.751 7.032 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409293531 1070748421 /nfs/dbraw/zinc/74/84/21/1070748421.db2.gz YVPVRHGTVMWKKN-NRFANRHFSA-N -1 0 546.583 5.951 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409287492 1070755185 /nfs/dbraw/zinc/75/51/85/1070755185.db2.gz VVQJCJVWWZIPIM-INIZCTEOSA-N -1 0 542.430 5.340 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409289828 1070761136 /nfs/dbraw/zinc/76/11/36/1070761136.db2.gz PFFKSGNBCNSZAE-UHFFFAOYSA-N -1 0 663.750 6.695 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409290047 1070761586 /nfs/dbraw/zinc/76/15/86/1070761586.db2.gz QQCKOPGHWAIAMR-AWEZNQCLSA-N -1 0 522.344 5.851 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC000409295591 1070765113 /nfs/dbraw/zinc/76/51/13/1070765113.db2.gz FHPWDJHYLVTVFR-UHFFFAOYSA-N -1 0 507.388 5.018 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409298327 1070771291 /nfs/dbraw/zinc/77/12/91/1070771291.db2.gz WITYCLKFUPCUNA-ZDUSSCGKSA-N -1 0 594.771 6.232 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409299383 1070773232 /nfs/dbraw/zinc/77/32/32/1070773232.db2.gz SJGITNSIIMPQGV-ZDUSSCGKSA-N -1 0 605.323 5.487 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2OCC(=O)[O-])cc1C(C)C ZINC000409299639 1070773568 /nfs/dbraw/zinc/77/35/68/1070773568.db2.gz UOWCANKHBZIXHI-UHFFFAOYSA-N -1 0 612.908 6.656 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409301545 1070778952 /nfs/dbraw/zinc/77/89/52/1070778952.db2.gz AMCDZMQIBHCBIU-UHFFFAOYSA-N -1 0 651.501 6.607 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409303500 1070783439 /nfs/dbraw/zinc/78/34/39/1070783439.db2.gz HPGIVSWFNXBMKW-UHFFFAOYSA-N -1 0 683.397 7.527 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I)C(=O)[O-] ZINC000409309655 1070789994 /nfs/dbraw/zinc/78/99/94/1070789994.db2.gz KMFPUMPYOPJHEX-AWEZNQCLSA-N -1 0 624.273 5.545 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409310181 1070791160 /nfs/dbraw/zinc/79/11/60/1070791160.db2.gz RTRQPXSCZNRCRP-VIFPVBQESA-N -1 0 636.964 6.548 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409313958 1070796984 /nfs/dbraw/zinc/79/69/84/1070796984.db2.gz JLUNFNOWLVQKPU-UHFFFAOYSA-N -1 0 565.380 5.179 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409306316 1070802414 /nfs/dbraw/zinc/80/24/14/1070802414.db2.gz OWOYJCFCGBZNTD-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000409319773 1070806788 /nfs/dbraw/zinc/80/67/88/1070806788.db2.gz LNOFYVWXVLOCAW-LBPRGKRZSA-N -1 0 541.229 5.543 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Cl)c([O-])c([N+](=O)[O-])c1 ZINC000409319976 1070806846 /nfs/dbraw/zinc/80/68/46/1070806846.db2.gz AHIZUXARDKWNFM-UHFFFAOYSA-N -1 0 505.756 5.356 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409321958 1070810598 /nfs/dbraw/zinc/81/05/98/1070810598.db2.gz IANVGTQEIIFHKW-UHFFFAOYSA-N -1 0 547.453 6.195 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322834 1070812177 /nfs/dbraw/zinc/81/21/77/1070812177.db2.gz LGHKLEGDVPTAKK-OAHLLOKOSA-N -1 0 613.852 6.394 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409314380 1070815081 /nfs/dbraw/zinc/81/50/81/1070815081.db2.gz FYLFYULESNSORU-OAHLLOKOSA-N -1 0 576.875 5.993 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409316694 1070820332 /nfs/dbraw/zinc/82/03/32/1070820332.db2.gz MWVQISSEYRBULF-CQSZACIVSA-N -1 0 700.222 6.865 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000409319337 1070825756 /nfs/dbraw/zinc/82/57/56/1070825756.db2.gz DRRAJYBQEZICHK-UHFFFAOYSA-N -1 0 514.763 5.605 40 30 KKEBRM N=C1SC(=Cc2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C([O-])=C1c1nccs1 ZINC000409333914 1070839914 /nfs/dbraw/zinc/83/99/14/1070839914.db2.gz FWMPACGNTZWCEY-QLHXHSKXSA-N -1 0 694.357 7.502 40 30 KKEBRM Cc1ccc(-c2oc(/N=C/c3cc(I)cc(I)c3[O-])c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409366937 1070890440 /nfs/dbraw/zinc/89/04/40/1070890440.db2.gz XTMUPWOBBFMHJS-AMVVHIIESA-N -1 0 644.250 7.768 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409384767 1070901812 /nfs/dbraw/zinc/90/18/12/1070901812.db2.gz GFFIXCRCVJAJDC-PCLIKHOPSA-N -1 0 557.628 5.305 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409379090 1070905271 /nfs/dbraw/zinc/90/52/71/1070905271.db2.gz VIHBQNSKJZYHFA-YZSQISJMSA-N -1 0 605.554 6.549 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385968 1070907826 /nfs/dbraw/zinc/90/78/26/1070907826.db2.gz MVWZYXPPMNAMID-XKZIYDEJSA-N -1 0 505.665 6.241 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC000409404964 1070924139 /nfs/dbraw/zinc/92/41/39/1070924139.db2.gz RRVHVEZGECQEHU-CQSZACIVSA-N -1 0 571.225 5.323 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@]1(C)C(=O)[O-] ZINC000255976765 1070936407 /nfs/dbraw/zinc/93/64/07/1070936407.db2.gz HMMGKOVEOFBCAU-DSUASRDWSA-N -1 0 512.731 6.839 40 30 KKEBRM N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408897943 1070962896 /nfs/dbraw/zinc/96/28/96/1070962896.db2.gz JTNMEIFRJWNKSP-MFKUBSTISA-N -1 0 507.933 5.610 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408909342 1070978321 /nfs/dbraw/zinc/97/83/21/1070978321.db2.gz GMYPUJJFPRKMDD-ACLKULHFSA-N -1 0 594.471 5.864 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](CCC)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263897 1070985831 /nfs/dbraw/zinc/98/58/31/1070985831.db2.gz DDSDHOYURQZHPC-BAMUKTOESA-N -1 0 553.526 8.806 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)S/C2=N/c2ccccc2)cc1 ZINC000408917185 1070993070 /nfs/dbraw/zinc/99/30/70/1070993070.db2.gz OKZVGJRVMLNGAV-PNQFHULJSA-N -1 0 563.635 6.207 40 30 KKEBRM COC(=O)COc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1I ZINC000408917259 1070993580 /nfs/dbraw/zinc/99/35/80/1070993580.db2.gz PXLPXKYPVYMTSM-IKMXSYNQSA-N -1 0 754.340 5.950 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000408916510 1071000600 /nfs/dbraw/zinc/00/06/00/1071000600.db2.gz DQVOMHDNTBGUKI-TZUFQDQBSA-N -1 0 560.631 7.514 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](c2cccc(F)c2)O[C@@H]1c1cc(Br)cc(OC)c1OCC(=O)[O-] ZINC000585266467 1071002544 /nfs/dbraw/zinc/00/25/44/1071002544.db2.gz CTBVQEKZSDXDDV-IJEQNIMCSA-N -1 0 555.440 7.239 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585267643 1071006330 /nfs/dbraw/zinc/00/63/30/1071006330.db2.gz RIBRVSKKUKFFEN-JFIAXGOJSA-N -1 0 510.989 7.130 40 30 KKEBRM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408914849 1071011079 /nfs/dbraw/zinc/01/10/79/1071011079.db2.gz ZFACCCGANZOSGL-MSXFZWOLSA-N -1 0 500.305 5.089 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](c2ccc(OC)cc2)O[C@@H]1c1cc(OC)cc(Cl)c1OCC(=O)[O-] ZINC000585267136 1071011616 /nfs/dbraw/zinc/01/16/16/1071011616.db2.gz JUPKWGZOZCGUKY-YQHHHJOQSA-N -1 0 523.025 6.999 40 30 KKEBRM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408914500 1071013072 /nfs/dbraw/zinc/01/30/72/1071013072.db2.gz YDTORSCAFWGEPJ-MXAYSNPKSA-N -1 0 514.332 5.479 40 30 KKEBRM C=C(C)[C@@H]1C[C@@H]2c3ccc(OC)cc3CCC[C@@H]2O[C@@H]1c1cc(Oc2ccccc2)ccc1OCC(=O)[O-] ZINC000585268188 1071015992 /nfs/dbraw/zinc/01/59/92/1071015992.db2.gz WRQDHHBFRPSIHP-UYIPKLMTSA-N -1 0 514.618 7.093 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2CCc2ccccc2)cc1 ZINC000408913726 1071016725 /nfs/dbraw/zinc/01/67/25/1071016725.db2.gz RJOIIGMJLJHRDB-RLRMVDLFSA-N -1 0 572.322 7.072 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N1CC ZINC000408912524 1071022473 /nfs/dbraw/zinc/02/24/73/1071022473.db2.gz NJLCSTJHCHWNFE-BPRJVQAXSA-N -1 0 510.251 6.104 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1CC ZINC000408912557 1071023079 /nfs/dbraw/zinc/02/30/79/1071023079.db2.gz NURNDJFJLRNSHT-HBAVDNSESA-N -1 0 510.251 6.104 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N1C1CCCCC1 ZINC000408912342 1071023886 /nfs/dbraw/zinc/02/38/86/1071023886.db2.gz NEFPDZLJDCIBKL-ZDGMEELJSA-N -1 0 564.343 7.416 40 30 KKEBRM CCCCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912245 1071025214 /nfs/dbraw/zinc/02/52/14/1071025214.db2.gz QCCBHTHFLXLVQZ-SRVANGTOSA-N -1 0 594.471 5.866 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408911016 1071064037 /nfs/dbraw/zinc/06/40/37/1071064037.db2.gz YCWRZMGLDPYQCD-MMUBZGPSSA-N -1 0 567.461 6.286 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408910750 1071066240 /nfs/dbraw/zinc/06/62/40/1071066240.db2.gz HSJWSPHHIZPNPM-ACLKULHFSA-N -1 0 547.471 6.022 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408919611 1071119347 /nfs/dbraw/zinc/11/93/47/1071119347.db2.gz YZMGTFSHTGBGHQ-UCQKPKSFSA-N -1 0 537.012 5.627 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S/C2=N/c2ccccc2)cc1 ZINC000408919335 1071119371 /nfs/dbraw/zinc/11/93/71/1071119371.db2.gz WNSZBJZUCNMDHH-CRSXJLIYSA-N -1 0 552.637 6.810 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408917651 1071145201 /nfs/dbraw/zinc/14/52/01/1071145201.db2.gz ZGSQWPANYXLKCA-XZAJGXKFSA-N -1 0 543.395 5.318 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408917356 1071148455 /nfs/dbraw/zinc/14/84/55/1071148455.db2.gz RTJJAZMOKDXNHN-PKUQESHPSA-N -1 0 643.559 7.848 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408931658 1071150521 /nfs/dbraw/zinc/15/05/21/1071150521.db2.gz OOLYYTYCNJIRND-ICEIDMMXSA-N -1 0 599.478 6.806 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408931282 1071154518 /nfs/dbraw/zinc/15/45/18/1071154518.db2.gz JLIOPGNWXYAPFJ-GQHTZDRWSA-N -1 0 614.461 6.119 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408931324 1071152388 /nfs/dbraw/zinc/15/23/88/1071152388.db2.gz KAVBKKWQFOHIQQ-OZHDEPMQSA-N -1 0 643.161 8.137 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408930481 1071160335 /nfs/dbraw/zinc/16/03/35/1071160335.db2.gz XPIOSMRNZWOABI-LKCMCXFZSA-N -1 0 529.618 5.034 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N/c3ccccc3)N(CCOCC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408929333 1071172237 /nfs/dbraw/zinc/17/22/37/1071172237.db2.gz WTIRFBWCJQSASA-SLUAKYDRSA-N -1 0 586.710 6.732 40 30 KKEBRM C#CCOc1cc(Br)c(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408935267 1071224181 /nfs/dbraw/zinc/22/41/81/1071224181.db2.gz NCKKAARZMZMXOM-JQDPYBPBSA-N -1 0 621.509 6.371 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408934718 1071231669 /nfs/dbraw/zinc/23/16/69/1071231669.db2.gz MGMPNLIDUJZVOT-XSLNYXNTSA-N -1 0 616.537 7.368 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708440 1071243349 /nfs/dbraw/zinc/24/33/49/1071243349.db2.gz UIUCFZCXWXYUOA-UQQQWYQISA-N -1 0 527.708 7.237 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708431 1071243454 /nfs/dbraw/zinc/24/34/54/1071243454.db2.gz RFLGZLDBKCQXAN-ULJHMMPZSA-N -1 0 513.681 6.929 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708851 1071244476 /nfs/dbraw/zinc/24/44/76/1071244476.db2.gz OIGYEIIICGKMNH-WFSKJOQISA-N -1 0 541.735 7.626 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932716 1071250071 /nfs/dbraw/zinc/25/00/71/1071250071.db2.gz YVQBMPVBDXNKRQ-OTACCIFUSA-N -1 0 741.003 8.043 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408932590 1071251258 /nfs/dbraw/zinc/25/12/58/1071251258.db2.gz XVELPQHMHGCPJY-OFTKFCIUSA-N -1 0 528.630 6.243 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408932762 1071247429 /nfs/dbraw/zinc/24/74/29/1071247429.db2.gz ZCYOTBQPAHYGJY-IAPUUSCPSA-N -1 0 555.425 6.408 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931761 1071256719 /nfs/dbraw/zinc/25/67/19/1071256719.db2.gz PYOSSTWQSGBRIE-SXQCHCAKSA-N -1 0 645.693 7.838 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931791 1071256746 /nfs/dbraw/zinc/25/67/46/1071256746.db2.gz QIELRUMBOKJELL-NXOLVAEBSA-N -1 0 720.585 7.698 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4cccc(F)c4)c(I)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408942216 1071302512 /nfs/dbraw/zinc/30/25/12/1071302512.db2.gz WTBHLROZGADNMY-IAPUUSCPSA-N -1 0 602.425 6.250 40 30 KKEBRM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408940649 1071314529 /nfs/dbraw/zinc/31/45/29/1071314529.db2.gz VEXOXMXKBBOZPH-VRANQKIWSA-N -1 0 529.534 5.537 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408951076 1071352193 /nfs/dbraw/zinc/35/21/93/1071352193.db2.gz KWYMWRMATHBXHD-IPPBACCNSA-N -1 0 683.546 6.876 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408949814 1071359381 /nfs/dbraw/zinc/35/93/81/1071359381.db2.gz IZRINIRCCBUWGX-VTNSRFBWSA-N -1 0 637.176 7.790 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408956775 1071375717 /nfs/dbraw/zinc/37/57/17/1071375717.db2.gz YKHFGERWVVNDEJ-DPNNOFEESA-N -1 0 616.758 7.445 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408695801 1071382018 /nfs/dbraw/zinc/38/20/18/1071382018.db2.gz ZPXMDFNOAXGGHX-YZSQISJMSA-N -1 0 510.590 5.560 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408956476 1071378132 /nfs/dbraw/zinc/37/81/32/1071378132.db2.gz XFEXNJPDCFFVCN-VFLNYLIXSA-N -1 0 666.572 7.043 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408693926 1071389442 /nfs/dbraw/zinc/38/94/42/1071389442.db2.gz BZGGZMHRSPJLAQ-CIAFOILYSA-N -1 0 529.420 5.714 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408954547 1071389925 /nfs/dbraw/zinc/38/99/25/1071389925.db2.gz RIJMDIFNZKHJEI-ZMOGYAJESA-N -1 0 606.460 5.437 40 30 KKEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408953166 1071398288 /nfs/dbraw/zinc/39/82/88/1071398288.db2.gz OXIIKWSJTLDCEW-ZMOGYAJESA-N -1 0 608.476 5.990 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)cc1 ZINC000408961910 1071405427 /nfs/dbraw/zinc/40/54/27/1071405427.db2.gz VMHSSHZIMTWSPL-LSNUGIKISA-N -1 0 548.664 7.201 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc4ncccc4c3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964686 1071417127 /nfs/dbraw/zinc/41/71/27/1071417127.db2.gz FEIHTNVUYMSRHM-CTRSHLJDSA-N -1 0 525.586 5.754 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964573 1071417966 /nfs/dbraw/zinc/41/79/66/1071417966.db2.gz DRNRWSPDDRRCHH-MEBVTPJFSA-N -1 0 544.629 5.755 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408963552 1071422980 /nfs/dbraw/zinc/42/29/80/1071422980.db2.gz CFUWOHILVWURPC-ZVHZXABRSA-N -1 0 549.435 7.315 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408960716 1071431051 /nfs/dbraw/zinc/43/10/51/1071431051.db2.gz IAEUIFWSYVIGOJ-LPYMAVHISA-N -1 0 526.973 6.047 40 30 KKEBRM CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408960849 1071431172 /nfs/dbraw/zinc/43/11/72/1071431172.db2.gz OSUKLRDNYJOTEC-BOJSJVFISA-N -1 0 527.646 6.188 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408959617 1071436578 /nfs/dbraw/zinc/43/65/78/1071436578.db2.gz CAWIIOCWBFGHDK-BOJSJVFISA-N -1 0 543.645 5.424 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408967364 1071466401 /nfs/dbraw/zinc/46/64/01/1071466401.db2.gz VENREJGYKFRIJT-OEAKJJBVSA-N -1 0 567.461 6.325 40 30 KKEBRM C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408967467 1071467034 /nfs/dbraw/zinc/46/70/34/1071467034.db2.gz RYXVUMDZLXUQBA-FYJGNVAPSA-N -1 0 509.990 5.283 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408986755 1071488786 /nfs/dbraw/zinc/48/87/86/1071488786.db2.gz DJRMSQCDIULHJT-IMRQLAEWSA-N -1 0 524.617 5.930 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408985174 1071501096 /nfs/dbraw/zinc/50/10/96/1071501096.db2.gz ACDLZWNNRXSPIQ-MYYYXRDXSA-N -1 0 579.480 6.928 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408983136 1071518959 /nfs/dbraw/zinc/51/89/59/1071518959.db2.gz KUZYOTXCULQRBS-HAHDFKILSA-N -1 0 563.423 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/nfs/dbraw/zinc/66/38/65/1071663865.db2.gz ARJPUEMGDJFZAN-GRSHGNNSSA-N -1 0 517.788 6.261 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1OC(C)C ZINC000409016492 1071667756 /nfs/dbraw/zinc/66/77/56/1071667756.db2.gz CUECMUKCQLXGAE-VYKPKEDGSA-N -1 0 502.592 5.985 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc1Br ZINC000408750264 1071676567 /nfs/dbraw/zinc/67/65/67/1071676567.db2.gz YWOIQSUQPGDQLV-VGOFMYFVSA-N -1 0 591.075 5.329 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409011984 1071685665 /nfs/dbraw/zinc/68/56/65/1071685665.db2.gz IHYHEKLVKBYBPQ-HAFIMRKLSA-N -1 0 539.606 5.079 40 30 KKEBRM O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408749771 1071682247 /nfs/dbraw/zinc/68/22/47/1071682247.db2.gz TZIRVEUNWKVDCM-WLRTZDKTSA-N -1 0 523.033 6.116 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc(I)c1OCC(=O)[O-] ZINC000408749625 1071683276 /nfs/dbraw/zinc/68/32/76/1071683276.db2.gz RLHKSZYMXXNQSL-FRKPEAEDSA-N -1 0 593.226 5.352 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408760777 1071695163 /nfs/dbraw/zinc/69/51/63/1071695163.db2.gz FVGHDXWERRJMGX-XYGWBWBKSA-N -1 0 577.500 6.909 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408760378 1071696868 /nfs/dbraw/zinc/69/68/68/1071696868.db2.gz XPOAABJRLGTIGI-ZVHZXABRSA-N -1 0 586.442 5.612 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408759867 1071699924 /nfs/dbraw/zinc/69/99/24/1071699924.db2.gz NCUIXTJLJLGMHW-FYJGNVAPSA-N -1 0 644.747 7.147 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408759439 1071701509 /nfs/dbraw/zinc/70/15/09/1071701509.db2.gz FATQLZGGTBKBDM-HZHRSRAPSA-N -1 0 576.403 5.640 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408758553 1071705108 /nfs/dbraw/zinc/70/51/08/1071705108.db2.gz MKHWHTVCHNFINK-YDZHTSKRSA-N -1 0 619.468 5.859 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408758021 1071707724 /nfs/dbraw/zinc/70/77/24/1071707724.db2.gz FSHYORXBZQFSMO-BUVRLJJBSA-N -1 0 556.416 5.603 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408758011 1071707819 /nfs/dbraw/zinc/70/78/19/1071707819.db2.gz FPYAFXWBXWZZDN-SRZZPIQSSA-N -1 0 594.849 5.927 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408764905 1071726083 /nfs/dbraw/zinc/72/60/83/1071726083.db2.gz NSCAWGKBAJVBER-UUYOSTAYSA-N -1 0 693.357 6.848 40 30 KKEBRM C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408764529 1071728348 /nfs/dbraw/zinc/72/83/48/1071728348.db2.gz UMBFYHDEVKCFKA-MHWRWJLKSA-N -1 0 564.230 5.150 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408764218 1071729587 /nfs/dbraw/zinc/72/95/87/1071729587.db2.gz QSOUOOLJWLSWGG-PCLIKHOPSA-N -1 0 589.486 6.439 40 30 KKEBRM CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409019413 1071730074 /nfs/dbraw/zinc/73/00/74/1071730074.db2.gz ZCILJUVGLKVUST-LUBOMWEGSA-N -1 0 521.038 7.020 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408763701 1071730597 /nfs/dbraw/zinc/73/05/97/1071730597.db2.gz JOPKYKUGPIGBLV-HYARGMPZSA-N -1 0 595.877 6.393 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408761497 1071740201 /nfs/dbraw/zinc/74/02/01/1071740201.db2.gz GAWINRRGTQCUFB-IMRQLAEWSA-N -1 0 542.657 6.545 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408767309 1071741181 /nfs/dbraw/zinc/74/11/81/1071741181.db2.gz ZCANPGAJRAKAOG-SRZZPIQSSA-N -1 0 679.192 7.801 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408777084 1071747117 /nfs/dbraw/zinc/74/71/17/1071747117.db2.gz UXCKQTSUYJGMIK-LPYMAVHISA-N -1 0 596.821 5.985 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408776184 1071751416 /nfs/dbraw/zinc/75/14/16/1071751416.db2.gz UWNPDFYGHLIWCE-XLHJEKARSA-N -1 0 544.673 6.253 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409281336 1071753466 /nfs/dbraw/zinc/75/34/66/1071753466.db2.gz LAYDWGCWDPHGGP-UHFFFAOYSA-N -1 0 598.881 6.278 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408775488 1071755796 /nfs/dbraw/zinc/75/57/96/1071755796.db2.gz HQPBOBAYPSUFHE-WGOQTCKBSA-N -1 0 545.035 6.329 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)cc21 ZINC000409281249 1071756657 /nfs/dbraw/zinc/75/66/57/1071756657.db2.gz MBNUCVCMSGLJSO-UHFFFAOYSA-N -1 0 505.486 5.659 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCC(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409280966 1071757246 /nfs/dbraw/zinc/75/72/46/1071757246.db2.gz CHHGEEQJIXCSFD-UHFFFAOYSA-N -1 0 641.462 5.463 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409280522 1071769526 /nfs/dbraw/zinc/76/95/26/1071769526.db2.gz KLWJNFQADBOCBP-UHFFFAOYSA-N -1 0 652.524 7.338 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c3)cc21 ZINC000409280519 1071769586 /nfs/dbraw/zinc/76/95/86/1071769586.db2.gz LJGYHBCFVPTDBR-CQSZACIVSA-N -1 0 641.272 6.077 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(O[C@H](C)C(=O)[O-])ccc4ccccc43)cc21 ZINC000409280356 1071771482 /nfs/dbraw/zinc/77/14/82/1071771482.db2.gz LEDXOHRMMGTVDH-GOSISDBHSA-N -1 0 533.540 5.706 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408772264 1071775742 /nfs/dbraw/zinc/77/57/42/1071775742.db2.gz FYKFNBHMBQWIKW-WPWMEQJKSA-N -1 0 581.466 6.885 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409279866 1071777804 /nfs/dbraw/zinc/77/78/04/1071777804.db2.gz AAEYTKOQENKZBD-UHFFFAOYSA-N -1 0 650.688 6.970 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1OCC(=O)[O-] ZINC000409279906 1071778884 /nfs/dbraw/zinc/77/88/84/1071778884.db2.gz ITJIFCNGWKAAEE-UHFFFAOYSA-N -1 0 629.794 5.422 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408771648 1071779020 /nfs/dbraw/zinc/77/90/20/1071779020.db2.gz JXPSZMDLLASDRH-WSDLNYQXSA-N -1 0 614.323 7.347 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c3)cc21 ZINC000409279747 1071781444 /nfs/dbraw/zinc/78/14/44/1071781444.db2.gz IRIXLGDHBAEDQN-AWEZNQCLSA-N -1 0 607.373 5.223 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409279795 1071782403 /nfs/dbraw/zinc/78/24/03/1071782403.db2.gz JUVUDJCZHARBRC-UHFFFAOYSA-N -1 0 699.558 7.724 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409279119 1071790824 /nfs/dbraw/zinc/79/08/24/1071790824.db2.gz GTSRQLMRIIZJBF-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409031313 1071788656 /nfs/dbraw/zinc/78/86/56/1071788656.db2.gz ANOXYEHIBVGVQV-UHFFFAOYSA-N -1 0 512.603 5.031 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409279070 1071789750 /nfs/dbraw/zinc/78/97/50/1071789750.db2.gz GMEJTNJATABYCB-UHFFFAOYSA-N -1 0 540.801 5.534 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409278108 1071807729 /nfs/dbraw/zinc/80/77/29/1071807729.db2.gz CWAIFVKUYBBHBZ-UHFFFAOYSA-N -1 0 693.337 8.047 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409278051 1071807223 /nfs/dbraw/zinc/80/72/23/1071807223.db2.gz CSZYSEUHAHNUGT-UHFFFAOYSA-N -1 0 584.470 6.769 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409278236 1071805377 /nfs/dbraw/zinc/80/53/77/1071805377.db2.gz FAGQNYAMAXTXMW-UHFFFAOYSA-N -1 0 621.999 7.294 40 30 KKEBRM Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408782094 1071812718 /nfs/dbraw/zinc/81/27/18/1071812718.db2.gz VQRSRYGACIGKBZ-JJFYIABZSA-N -1 0 604.853 6.422 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409278124 1071808278 /nfs/dbraw/zinc/80/82/78/1071808278.db2.gz CXCZPDRCHPGASV-CYBMUJFWSA-N -1 0 611.792 5.868 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)c1 ZINC000408781604 1071816740 /nfs/dbraw/zinc/81/67/40/1071816740.db2.gz CEZBRRLIJFPFPP-UFFVCSGVSA-N -1 0 656.274 5.788 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)cc2I)cc1 ZINC000408781641 1071817453 /nfs/dbraw/zinc/81/74/53/1071817453.db2.gz DJTREMIDKTXZNY-MTJSOVHGSA-N -1 0 574.371 5.599 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)cc21 ZINC000409293845 1071826546 /nfs/dbraw/zinc/82/65/46/1071826546.db2.gz LZMMLXWIKDFILY-UHFFFAOYSA-N -1 0 532.556 5.806 40 30 KKEBRM O=C([O-])COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409293929 1071828260 /nfs/dbraw/zinc/82/82/60/1071828260.db2.gz KCGPTIFXNJDMCE-UHFFFAOYSA-N -1 0 546.299 5.190 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408779506 1071828781 /nfs/dbraw/zinc/82/87/81/1071828781.db2.gz FVMPSSLEYAXASO-HYARGMPZSA-N -1 0 521.400 6.276 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409047259 1071825531 /nfs/dbraw/zinc/82/55/31/1071825531.db2.gz NWDKNMWSCZRCDA-UHFFFAOYSA-N -1 0 616.969 7.996 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409294095 1071825445 /nfs/dbraw/zinc/82/54/45/1071825445.db2.gz LBVPWJXEJJHWFU-UHFFFAOYSA-N -1 0 607.299 5.714 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000408779412 1071830881 /nfs/dbraw/zinc/83/08/81/1071830881.db2.gz DRMVYVJGFPTGFC-UFFVCSGVSA-N -1 0 609.274 5.946 40 30 KKEBRM O=C([O-])COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409293789 1071831293 /nfs/dbraw/zinc/83/12/93/1071831293.db2.gz JIFUVURJJXBOIM-UHFFFAOYSA-N -1 0 508.317 5.462 40 30 KKEBRM CCCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409045738 1071840214 /nfs/dbraw/zinc/84/02/14/1071840214.db2.gz HNSJXORCAIBTHM-UHFFFAOYSA-N -1 0 623.382 6.771 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409293467 1071836871 /nfs/dbraw/zinc/83/68/71/1071836871.db2.gz YQYNIEVJKNIDTB-MRXNPFEDSA-N -1 0 531.952 5.596 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409293340 1071839565 /nfs/dbraw/zinc/83/95/65/1071839565.db2.gz KDWNEEDBAWTXSM-CQSZACIVSA-N -1 0 590.352 5.588 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C2=C1CCCC2=O ZINC000409044929 1071844171 /nfs/dbraw/zinc/84/41/71/1071844171.db2.gz DJJGMVINLJTLMD-UHFFFAOYSA-N -1 0 560.861 6.724 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408777334 1071844248 /nfs/dbraw/zinc/84/42/48/1071844248.db2.gz YTQZDXAEIBCWLN-PCLIKHOPSA-N -1 0 531.008 6.021 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Br)c1 ZINC000409293013 1071844575 /nfs/dbraw/zinc/84/45/75/1071844575.db2.gz GOPXHOSESXTZCV-UHFFFAOYSA-N -1 0 701.293 7.767 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408777363 1071844770 /nfs/dbraw/zinc/84/47/70/1071844770.db2.gz ZECBNMIWCRTWJA-BUVRLJJBSA-N -1 0 642.877 6.317 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409292473 1071855965 /nfs/dbraw/zinc/85/59/65/1071855965.db2.gz UBSMGZRVYWXMJX-UHFFFAOYSA-N -1 0 573.527 6.250 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408785750 1071855094 /nfs/dbraw/zinc/85/50/94/1071855094.db2.gz BMLCHVROMRMRFK-HYARGMPZSA-N -1 0 520.944 5.462 40 30 KKEBRM Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)S1 ZINC000408785636 1071856211 /nfs/dbraw/zinc/85/62/11/1071856211.db2.gz XLVNYIVUPXNXDJ-UUASQNMZSA-N -1 0 654.651 5.213 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409292180 1071861788 /nfs/dbraw/zinc/86/17/88/1071861788.db2.gz SKMWEAGDTWCGLR-UHFFFAOYSA-N -1 0 722.228 7.150 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409291893 1071868150 /nfs/dbraw/zinc/86/81/50/1071868150.db2.gz CEGNOOSADZFYBM-UHFFFAOYSA-N -1 0 578.463 6.015 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409291505 1071872646 /nfs/dbraw/zinc/87/26/46/1071872646.db2.gz XSEDBIDZBKHYMH-UHFFFAOYSA-N -1 0 511.578 5.612 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409291546 1071873240 /nfs/dbraw/zinc/87/32/40/1071873240.db2.gz XVTIVONGSOEQRF-UHFFFAOYSA-N -1 0 575.246 6.188 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408794951 1071883044 /nfs/dbraw/zinc/88/30/44/1071883044.db2.gz KPNIAACZOGWQHB-SILRWXEESA-N -1 0 588.398 5.941 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409291245 1071878672 /nfs/dbraw/zinc/87/86/72/1071878672.db2.gz XCCGQYNMHIIPAH-UHFFFAOYSA-N -1 0 639.020 6.929 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408794346 1071885944 /nfs/dbraw/zinc/88/59/44/1071885944.db2.gz ICGDXIBKLIIPER-XPAMHXTNSA-N -1 0 549.048 6.588 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409040874 1071886402 /nfs/dbraw/zinc/88/64/02/1071886402.db2.gz UYWCUHCAFSHRRJ-UHFFFAOYSA-N -1 0 537.292 6.233 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409291029 1071886477 /nfs/dbraw/zinc/88/64/77/1071886477.db2.gz BOSJMSBRFDNHMG-HNNXBMFYSA-N -1 0 655.299 6.468 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409290860 1071888318 /nfs/dbraw/zinc/88/83/18/1071888318.db2.gz NNNWVTVEBHLVGB-UHFFFAOYSA-N -1 0 608.654 7.377 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408791585 1071889193 /nfs/dbraw/zinc/88/91/93/1071889193.db2.gz ZBROWAFPXBRIDG-MIJAQDJLSA-N -1 0 694.301 6.473 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409040196 1071893118 /nfs/dbraw/zinc/89/31/18/1071893118.db2.gz FWAWFSXWDSRBPA-OVCLIPMQSA-N -1 0 554.622 5.405 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cn([C@H](C)C(=O)[O-])c4ccccc34)cc21 ZINC000409290598 1071894816 /nfs/dbraw/zinc/89/48/16/1071894816.db2.gz MKXSXPVSUFHCEP-QGZVFWFLSA-N -1 0 506.518 5.301 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409039753 1071897127 /nfs/dbraw/zinc/89/71/27/1071897127.db2.gz SAAPWVNNXDODRX-UHFFFAOYSA-N -1 0 551.319 6.623 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)[O-] ZINC000409290168 1071897635 /nfs/dbraw/zinc/89/76/35/1071897635.db2.gz KITCNZIAYINVAN-UHFFFAOYSA-N -1 0 582.794 5.580 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC000409290188 1071898449 /nfs/dbraw/zinc/89/84/49/1071898449.db2.gz RFTAFAYZLPQJEA-UHFFFAOYSA-N -1 0 629.305 6.213 40 30 KKEBRM COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409039017 1071903723 /nfs/dbraw/zinc/90/37/23/1071903723.db2.gz QHHLTJDGIIFKHB-IJFXDBOGSA-N -1 0 547.221 5.449 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409289911 1071903698 /nfs/dbraw/zinc/90/36/98/1071903698.db2.gz PSEHJQAAGWMYIO-UHFFFAOYSA-N -1 0 564.436 5.841 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2I)cc1 ZINC000409289996 1071905323 /nfs/dbraw/zinc/90/53/23/1071905323.db2.gz QFDGGPCCVJOURL-UHFFFAOYSA-N -1 0 607.448 6.208 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409289878 1071903074 /nfs/dbraw/zinc/90/30/74/1071903074.db2.gz ISUZGYDJMWSXSI-OAHLLOKOSA-N -1 0 517.925 5.206 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c([O-])c(Cl)c1 ZINC000409038465 1071906795 /nfs/dbraw/zinc/90/67/95/1071906795.db2.gz VMRZMZRCYDTZIB-UHFFFAOYSA-N -1 0 538.515 7.627 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C2=C1CCCC2=O ZINC000409047332 1071910031 /nfs/dbraw/zinc/91/00/31/1071910031.db2.gz OHCVWZCGNVNNHO-UHFFFAOYSA-N -1 0 560.861 6.724 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288784 1071924505 /nfs/dbraw/zinc/92/45/05/1071924505.db2.gz BXUKBAKPFDMNDW-UHFFFAOYSA-N -1 0 601.251 5.398 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409055959 1071925166 /nfs/dbraw/zinc/92/51/66/1071925166.db2.gz QOPGNEPRGBTNGK-GYOQDEGTSA-N -1 0 542.367 5.939 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409288663 1071927127 /nfs/dbraw/zinc/92/71/27/1071927127.db2.gz BFIVNWMHIDYHAE-CYBMUJFWSA-N -1 0 560.872 5.378 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409288019 1071935200 /nfs/dbraw/zinc/93/52/00/1071935200.db2.gz BVLKPTCFTWUKNG-QFIPXVFZSA-N -1 0 583.685 6.365 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409054540 1071933180 /nfs/dbraw/zinc/93/31/80/1071933180.db2.gz BMGXQXOAALIQQT-JQRJDVQMSA-N -1 0 606.325 7.657 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409287947 1071938692 /nfs/dbraw/zinc/93/86/92/1071938692.db2.gz AZOPVDOHQIZWJU-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2I)cc1 ZINC000409287642 1071943351 /nfs/dbraw/zinc/94/33/51/1071943351.db2.gz XNICCHUDWYPEOZ-UHFFFAOYSA-N -1 0 669.397 6.846 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409287493 1071945872 /nfs/dbraw/zinc/94/58/72/1071945872.db2.gz VVQJCJVWWZIPIM-MRXNPFEDSA-N -1 0 542.430 5.340 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])c3)cc21 ZINC000409297240 1071948912 /nfs/dbraw/zinc/94/89/12/1071948912.db2.gz SSAXCGGJOKCHCK-UHFFFAOYSA-N -1 0 590.548 5.886 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409297049 1071950399 /nfs/dbraw/zinc/95/03/99/1071950399.db2.gz VRLIBTDRCNXOPS-GOSISDBHSA-N -1 0 593.036 6.190 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409050040 1071960566 /nfs/dbraw/zinc/96/05/66/1071960566.db2.gz ZPULLXZQFOGQTL-UHFFFAOYSA-N -1 0 616.969 7.996 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409296532 1071960971 /nfs/dbraw/zinc/96/09/71/1071960971.db2.gz IDHFCTVCGNTBCD-CYBMUJFWSA-N -1 0 624.797 6.241 40 30 KKEBRM CC(C)COc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409049606 1071963348 /nfs/dbraw/zinc/96/33/48/1071963348.db2.gz XFCZTWRUHFFGRV-UHFFFAOYSA-N -1 0 637.409 7.017 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)o2)cc1 ZINC000409296011 1071967131 /nfs/dbraw/zinc/96/71/31/1071967131.db2.gz GRHVWIHWRJOVBV-UHFFFAOYSA-N -1 0 509.905 6.304 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409049141 1071965568 /nfs/dbraw/zinc/96/55/68/1071965568.db2.gz VAENXLRQSAPTBS-UHFFFAOYSA-N -1 0 600.712 5.791 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409296265 1071966724 /nfs/dbraw/zinc/96/67/24/1071966724.db2.gz HPGXXYRZZNUGIL-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000409048682 1071968236 /nfs/dbraw/zinc/96/82/36/1071968236.db2.gz ULLHMQRZIWZKSS-UHFFFAOYSA-N -1 0 595.306 7.377 40 30 KKEBRM Cc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409295801 1071973238 /nfs/dbraw/zinc/97/32/38/1071973238.db2.gz PFPFVMITDCCPOO-UHFFFAOYSA-N -1 0 529.394 5.359 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409295833 1071973773 /nfs/dbraw/zinc/97/37/73/1071973773.db2.gz GGSUBGVLPWYHTJ-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409295602 1071975007 /nfs/dbraw/zinc/97/50/07/1071975007.db2.gz OUGVJQVSDFBCSV-UHFFFAOYSA-N -1 0 634.088 7.750 40 30 KKEBRM CCCCOc1ccc(Br)cc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(CC)C1=O ZINC000409058930 1071984051 /nfs/dbraw/zinc/98/40/51/1071984051.db2.gz ZSRRLCFQFPXQFU-SQJAOTTLSA-N -1 0 503.418 5.950 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409294838 1071986820 /nfs/dbraw/zinc/98/68/20/1071986820.db2.gz PKGWKVZGYVPZKJ-UHFFFAOYSA-N -1 0 663.750 6.695 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409294706 1071989422 /nfs/dbraw/zinc/98/94/22/1071989422.db2.gz BKWBBJRBRJCZLQ-UHFFFAOYSA-N -1 0 571.475 6.348 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Br)cc(I)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409057777 1071990639 /nfs/dbraw/zinc/99/06/39/1071990639.db2.gz WJJDAELISGKKGV-YJDIGNJUSA-N -1 0 671.826 8.628 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409295112 1071986154 /nfs/dbraw/zinc/98/61/54/1071986154.db2.gz DEMUNGYJNOBXPE-SFHVURJKSA-N -1 0 582.484 6.935 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066403 1071994710 /nfs/dbraw/zinc/99/47/10/1071994710.db2.gz AOOLIQPKALEZQK-OEAKJJBVSA-N -1 0 518.953 5.028 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409066417 1071994722 /nfs/dbraw/zinc/99/47/22/1071994722.db2.gz NANYGCCMYQMVKM-MFKUBSTISA-N -1 0 541.560 5.276 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CCCC2=O ZINC000409065120 1071995886 /nfs/dbraw/zinc/99/58/86/1071995886.db2.gz GHNPWKJHPFTXFT-UHFFFAOYSA-N -1 0 698.235 7.986 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C2=C1CCCC2=O ZINC000409066727 1072001697 /nfs/dbraw/zinc/00/16/97/1072001697.db2.gz NUWSUYDYFUPMER-UHFFFAOYSA-N -1 0 556.058 6.960 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)o2)c1 ZINC000409307101 1072002293 /nfs/dbraw/zinc/00/22/93/1072002293.db2.gz RBDHMPQFAXRHED-UHFFFAOYSA-N -1 0 509.905 6.304 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066225 1072003096 /nfs/dbraw/zinc/00/30/96/1072003096.db2.gz MKMPZVRDJGXPDK-XSFVSMFZSA-N -1 0 587.437 5.165 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409067109 1071998212 /nfs/dbraw/zinc/99/82/12/1071998212.db2.gz NTNKGTSWDZPXKP-UHFFFAOYSA-N -1 0 549.708 6.373 40 30 KKEBRM Cc1ccc(COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(CCC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)c2)cc1 ZINC000409066861 1072000299 /nfs/dbraw/zinc/00/02/99/1072000299.db2.gz CWDBUNCOXYPOAE-UHFFFAOYSA-N -1 0 541.688 6.734 40 30 KKEBRM COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409065672 1072006987 /nfs/dbraw/zinc/00/69/87/1072006987.db2.gz KEXKHNJYIWIOQA-UHFFFAOYSA-N -1 0 520.453 6.162 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409065638 1072007228 /nfs/dbraw/zinc/00/72/28/1072007228.db2.gz JWSOPRMHKHNRLW-TWKHWXDSSA-N -1 0 576.649 6.611 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409065482 1072008532 /nfs/dbraw/zinc/00/85/32/1072008532.db2.gz ISOQCEZISCAJOY-UHFFFAOYSA-N -1 0 640.604 8.131 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409065580 1072009108 /nfs/dbraw/zinc/00/91/08/1072009108.db2.gz HRTBWPNSHJRBHH-UHFFFAOYSA-N -1 0 699.480 8.584 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409065607 1072009533 /nfs/dbraw/zinc/00/95/33/1072009533.db2.gz HZUOSNDMUIZQSE-UHFFFAOYSA-N -1 0 560.603 5.461 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409065893 1072006586 /nfs/dbraw/zinc/00/65/86/1072006586.db2.gz NZRKEXMYPGQPJE-UHFFFAOYSA-N -1 0 610.122 7.227 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064429 1072016033 /nfs/dbraw/zinc/01/60/33/1072016033.db2.gz CUUWXMCHLBEOMU-UHFFFAOYSA-N -1 0 592.132 7.331 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O ZINC000409064325 1072015247 /nfs/dbraw/zinc/01/52/47/1072015247.db2.gz GOPJYOXFVAHYCI-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409306339 1072015287 /nfs/dbraw/zinc/01/52/87/1072015287.db2.gz OXGSYORERWECLW-CYBMUJFWSA-N -1 0 628.261 5.020 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409306625 1072011761 /nfs/dbraw/zinc/01/17/61/1072011761.db2.gz PSFDICVZKJAVQQ-IBGZPJMESA-N -1 0 578.065 6.290 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409064759 1072012263 /nfs/dbraw/zinc/01/22/63/1072012263.db2.gz FFGXBUCGZIOKQK-ZVHZXABRSA-N -1 0 534.971 5.852 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000409064782 1072012325 /nfs/dbraw/zinc/01/23/25/1072012325.db2.gz FMTHQWRJVMVJCF-UHFFFAOYSA-N -1 0 641.002 7.842 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409064036 1072016967 /nfs/dbraw/zinc/01/69/67/1072016967.db2.gz BHNBJHFQCBFRFD-YZSQISJMSA-N -1 0 571.586 5.366 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409305990 1072018416 /nfs/dbraw/zinc/01/84/16/1072018416.db2.gz OVYOQVYVPSGMEM-UHFFFAOYSA-N -1 0 650.121 6.152 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409306017 1072019080 /nfs/dbraw/zinc/01/90/80/1072019080.db2.gz YCPSCVGLMBMEMA-UHFFFAOYSA-N -1 0 686.195 6.476 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cccc2[N+](=O)[O-])c1 ZINC000409305761 1072022475 /nfs/dbraw/zinc/02/24/75/1072022475.db2.gz NKMQMEFROQYKPM-UHFFFAOYSA-N -1 0 526.549 5.512 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409063859 1072019849 /nfs/dbraw/zinc/01/98/49/1072019849.db2.gz AJOIEIBQWQFRGT-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 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/nfs/dbraw/zinc/05/99/02/1072059902.db2.gz HBUNQCZUKDUKAP-UHFFFAOYSA-N -1 0 660.157 5.726 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccccc1Cl ZINC000409075436 1072060129 /nfs/dbraw/zinc/06/01/29/1072060129.db2.gz YTOLTGRQLHUBQT-UHFFFAOYSA-N -1 0 576.089 6.544 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCC(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409302934 1072060281 /nfs/dbraw/zinc/06/02/81/1072060281.db2.gz HJAOLCSZHMIICE-UHFFFAOYSA-N -1 0 594.462 5.621 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C)cc1 ZINC000409075502 1072060478 /nfs/dbraw/zinc/06/04/78/1072060478.db2.gz RDEUXRUBUTWHDH-UHFFFAOYSA-N -1 0 697.610 7.348 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409302980 1072060801 /nfs/dbraw/zinc/06/08/01/1072060801.db2.gz GDIVPUJSLJWYKB-UHFFFAOYSA-N -1 0 594.883 5.343 40 30 KKEBRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000409302773 1072061787 /nfs/dbraw/zinc/06/17/87/1072061787.db2.gz KGTYCSVJLDAZEC-UHFFFAOYSA-N -1 0 580.544 5.049 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409075356 1072061788 /nfs/dbraw/zinc/06/17/88/1072061788.db2.gz XIHLOSHVWPVEHC-UHFFFAOYSA-N -1 0 666.609 7.067 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409075070 1072063915 /nfs/dbraw/zinc/06/39/15/1072063915.db2.gz SXEXVQASBMDXKJ-UHFFFAOYSA-N -1 0 672.649 9.199 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 ZINC000409075066 1072063936 /nfs/dbraw/zinc/06/39/36/1072063936.db2.gz SWOADMRQPSZNOG-UHFFFAOYSA-N -1 0 594.502 6.315 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409074774 1072066869 /nfs/dbraw/zinc/06/68/69/1072066869.db2.gz RKDXHVPPGPQREW-UHFFFAOYSA-N -1 0 641.002 7.842 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409074649 1072067743 /nfs/dbraw/zinc/06/77/43/1072067743.db2.gz UJJZRKSYLABYPV-UHFFFAOYSA-N -1 0 632.197 7.816 40 30 KKEBRM Cc1ccc(COc2ccc(Br)cc2C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409074249 1072068318 /nfs/dbraw/zinc/06/83/18/1072068318.db2.gz LEMKYQNGHXEFOF-UHFFFAOYSA-N -1 0 620.584 7.497 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccccc1Cl ZINC000409074329 1072068762 /nfs/dbraw/zinc/06/87/62/1072068762.db2.gz PTOROJZKSHVVIO-UHFFFAOYSA-N -1 0 641.002 7.842 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073900 1072072258 /nfs/dbraw/zinc/07/22/58/1072072258.db2.gz NXWQKKJHEQQZNH-OEAKJJBVSA-N -1 0 581.046 5.128 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C2=C1CCCC2=O ZINC000409073513 1072073785 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CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409301417 1072077976 /nfs/dbraw/zinc/07/79/76/1072077976.db2.gz CJXSCTGBGXGYDZ-UHFFFAOYSA-N -1 0 655.107 7.615 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409072118 1072084840 /nfs/dbraw/zinc/08/48/40/1072084840.db2.gz BJNQSNPIGRXYPF-UHFFFAOYSA-N -1 0 622.556 6.807 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC000409072982 1072078433 /nfs/dbraw/zinc/07/84/33/1072078433.db2.gz OEURPOMOPLRKOF-UHFFFAOYSA-N -1 0 582.524 7.343 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Br)cc1 ZINC000409072257 1072084068 /nfs/dbraw/zinc/08/40/68/1072084068.db2.gz BLYJWNZTYKHKEU-UHFFFAOYSA-N -1 0 650.610 7.587 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3cccc4ccccc43)cc2)C2=C1CCCC2=O ZINC000409072850 1072079913 /nfs/dbraw/zinc/07/99/13/1072079913.db2.gz DYBHGNJTKMCPFN-UHFFFAOYSA-N -1 0 521.613 6.307 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409072844 1072079929 /nfs/dbraw/zinc/07/99/29/1072079929.db2.gz LJPXQMHWYDFZDY-BUVRLJJBSA-N -1 0 595.877 6.475 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000409301322 1072080192 /nfs/dbraw/zinc/08/01/92/1072080192.db2.gz DYBMUSONNKDMBM-STQMWFEESA-N -1 0 506.784 5.060 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1 ZINC000409072563 1072082194 /nfs/dbraw/zinc/08/21/94/1072082194.db2.gz VYKQOWFCXRYVLD-UHFFFAOYSA-N -1 0 598.465 6.064 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Br)cc1 ZINC000409072334 1072082677 /nfs/dbraw/zinc/08/26/77/1072082677.db2.gz BSRWRFPZDILJBI-UHFFFAOYSA-N -1 0 776.506 8.192 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000409301240 1072082899 /nfs/dbraw/zinc/08/28/99/1072082899.db2.gz BWMVSSLMCFEJQO-UHFFFAOYSA-N -1 0 500.736 5.215 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409072156 1072085194 /nfs/dbraw/zinc/08/51/94/1072085194.db2.gz MAEJDLIKCRXDQE-UHFFFAOYSA-N -1 0 595.711 7.718 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000409071946 1072085773 /nfs/dbraw/zinc/08/57/73/1072085773.db2.gz QVOAYTNQXLHDOK-UHFFFAOYSA-N -1 0 516.550 5.062 40 30 KKEBRM Cc1ccc(COc2c(Br)cc(Br)cc2C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409071279 1072090737 /nfs/dbraw/zinc/09/07/37/1072090737.db2.gz GKRUSFNRMXJDEU-UHFFFAOYSA-N -1 0 699.480 8.259 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409071954 1072085887 /nfs/dbraw/zinc/08/58/87/1072085887.db2.gz SZGMCHYUMQJROS-UHFFFAOYSA-N -1 0 576.089 6.544 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1F ZINC000409071800 1072086531 /nfs/dbraw/zinc/08/65/31/1072086531.db2.gz PYPUFCSXYKRBFP-UHFFFAOYSA-N -1 0 645.465 5.906 40 30 KKEBRM CCCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409071767 1072086681 /nfs/dbraw/zinc/08/66/81/1072086681.db2.gz SEAQBSUKJGFJBB-UHFFFAOYSA-N -1 0 548.507 6.943 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409071285 1072090846 /nfs/dbraw/zinc/09/08/46/1072090846.db2.gz JDTXFAZQKMDMSK-UHFFFAOYSA-N -1 0 548.079 6.933 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409071881 1072087394 /nfs/dbraw/zinc/08/73/94/1072087394.db2.gz QIOGOAPZUSLRPI-RCCKNPSSSA-N -1 0 534.971 5.852 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC000409300771 1072087657 /nfs/dbraw/zinc/08/76/57/1072087657.db2.gz BCKJAEAECGSENP-UHFFFAOYSA-N -1 0 578.463 6.060 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409071579 1072089019 /nfs/dbraw/zinc/08/90/19/1072089019.db2.gz HIQRVDWTVHNVIQ-HZHRSRAPSA-N -1 0 531.008 5.939 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c(Cl)c2Br)cc1C(C)C ZINC000409300611 1072089015 /nfs/dbraw/zinc/08/90/15/1072089015.db2.gz XKNWZBBXFYXBHP-UHFFFAOYSA-N -1 0 719.032 8.478 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409071338 1072089111 /nfs/dbraw/zinc/08/91/11/1072089111.db2.gz JJZGXLLHIREUIR-CJLVFECKSA-N -1 0 516.981 5.713 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071050 1072091266 /nfs/dbraw/zinc/09/12/66/1072091266.db2.gz IEGXQJGHMOWITC-YDZHTSKRSA-N -1 0 547.951 5.231 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)C2=C1CCCC2=O ZINC000409071087 1072091649 /nfs/dbraw/zinc/09/16/49/1072091649.db2.gz NEFMAHYGLXBKAO-UHFFFAOYSA-N -1 0 663.790 7.332 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409299919 1072098330 /nfs/dbraw/zinc/09/83/30/1072098330.db2.gz VYJMACMVHWKZJJ-UHFFFAOYSA-N -1 0 678.539 7.859 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1O ZINC000409070910 1072092156 /nfs/dbraw/zinc/09/21/56/1072092156.db2.gz MIXVTDQVBZDVHD-UHFFFAOYSA-N -1 0 507.627 5.290 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409070104 1072098355 /nfs/dbraw/zinc/09/83/55/1072098355.db2.gz NAAKPJHJIRIKNH-UHFFFAOYSA-N -1 0 572.658 6.334 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000409070107 1072098472 /nfs/dbraw/zinc/09/84/72/1072098472.db2.gz ZOLDQAYZIZUIAQ-UHFFFAOYSA-N -1 0 516.034 5.518 40 30 KKEBRM CCCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OC ZINC000409070813 1072093238 /nfs/dbraw/zinc/09/32/38/1072093238.db2.gz OZKIGVDGQNDNQJ-UHFFFAOYSA-N -1 0 532.431 5.135 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc3ccccc32)C2=C1CCCC2=O ZINC000409070669 1072093943 /nfs/dbraw/zinc/09/39/43/1072093943.db2.gz OJDIPIGRXOOWAY-UHFFFAOYSA-N -1 0 521.613 6.307 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409300204 1072094625 /nfs/dbraw/zinc/09/46/25/1072094625.db2.gz XTCSOZXHNDSVKS-OAHLLOKOSA-N -1 0 517.925 5.206 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc21 ZINC000409070186 1072096784 /nfs/dbraw/zinc/09/67/84/1072096784.db2.gz NIZKYKCLSLCJBB-UHFFFAOYSA-N -1 0 565.666 6.706 40 30 KKEBRM C=CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409070234 1072096960 /nfs/dbraw/zinc/09/69/60/1072096960.db2.gz NNQOAZGSEFXJEN-UHFFFAOYSA-N -1 0 542.072 6.074 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409070246 1072097172 /nfs/dbraw/zinc/09/71/72/1072097172.db2.gz NPSBWBZMKNTMKF-UDWIEESQSA-N -1 0 571.844 6.629 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070271 1072097503 /nfs/dbraw/zinc/09/75/03/1072097503.db2.gz FGNWCCWQFCFRGO-UHFFFAOYSA-N -1 0 527.617 5.792 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409069904 1072099279 /nfs/dbraw/zinc/09/92/79/1072099279.db2.gz BKAPJXVTFYYQQV-UHFFFAOYSA-N -1 0 638.204 8.546 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069768 1072099987 /nfs/dbraw/zinc/09/99/87/1072099987.db2.gz ACEUTPOJGVYKOD-UHFFFAOYSA-N -1 0 656.197 6.667 40 30 KKEBRM Cc1ccc(COc2c(Br)cc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2Br)cc1 ZINC000409069577 1072101008 /nfs/dbraw/zinc/10/10/08/1072101008.db2.gz WBQRFODWUAHUPB-UHFFFAOYSA-N -1 0 643.372 6.987 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409069655 1072101464 /nfs/dbraw/zinc/10/14/64/1072101464.db2.gz MIAPDBMGDINDIT-UHFFFAOYSA-N -1 0 764.349 8.713 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409069667 1072101473 /nfs/dbraw/zinc/10/14/73/1072101473.db2.gz WUGIFYIUJUKBOR-UHFFFAOYSA-N -1 0 656.617 8.342 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409069420 1072102156 /nfs/dbraw/zinc/10/21/56/1072102156.db2.gz KTFQNCKGYXXGHI-UHFFFAOYSA-N -1 0 747.648 6.536 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069511 1072103124 /nfs/dbraw/zinc/10/31/24/1072103124.db2.gz DETNAOCTKYIGJE-RCCKNPSSSA-N -1 0 601.464 5.555 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409299380 1072103587 /nfs/dbraw/zinc/10/35/87/1072103587.db2.gz SJGITNSIIMPQGV-CYBMUJFWSA-N -1 0 605.323 5.487 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 ZINC000409069313 1072103596 /nfs/dbraw/zinc/10/35/96/1072103596.db2.gz CMCAGXKAJCAYBM-UHFFFAOYSA-N -1 0 580.475 5.925 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409069274 1072103644 /nfs/dbraw/zinc/10/36/44/1072103644.db2.gz WWOHXHUGLCZIND-UHFFFAOYSA-N -1 0 663.392 7.622 40 30 KKEBRM CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409069344 1072104289 /nfs/dbraw/zinc/10/42/89/1072104289.db2.gz CNHLQZXDVXMHTG-UHFFFAOYSA-N -1 0 629.345 6.922 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409299458 1072105046 /nfs/dbraw/zinc/10/50/46/1072105046.db2.gz ZVCKAGHDPUUBOK-UHFFFAOYSA-N -1 0 542.389 5.780 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)n(CC(=O)[O-])c4ccccc34)cc21 ZINC000409299045 1072112166 /nfs/dbraw/zinc/11/21/66/1072112166.db2.gz QOXLZTRPMRTXAX-UHFFFAOYSA-N -1 0 506.518 5.048 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409068364 1072112707 /nfs/dbraw/zinc/11/27/07/1072112707.db2.gz INAPAQQYQMTKSQ-YDZHTSKRSA-N -1 0 537.399 5.976 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C2=C1CCCC2=O ZINC000409068304 1072112752 /nfs/dbraw/zinc/11/27/52/1072112752.db2.gz IMBGNFOMLVLSOU-UHFFFAOYSA-N -1 0 590.503 7.614 40 30 KKEBRM CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409067824 1072114833 /nfs/dbraw/zinc/11/48/33/1072114833.db2.gz QBSISBDHPINFKQ-UHFFFAOYSA-N -1 0 526.416 6.314 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccccc3Cl)cc2)C2=C1CCCC2=O ZINC000409068795 1072109334 /nfs/dbraw/zinc/10/93/34/1072109334.db2.gz VYJLLDUUTUVVJG-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409068587 1072110261 /nfs/dbraw/zinc/11/02/61/1072110261.db2.gz TZDFJZNMVZSPCU-UHFFFAOYSA-N -1 0 650.610 7.448 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409068679 1072110831 /nfs/dbraw/zinc/11/08/31/1072110831.db2.gz UTDVGEDKNHHTRR-UHFFFAOYSA-N -1 0 621.752 5.932 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409298298 1072122100 /nfs/dbraw/zinc/12/21/00/1072122100.db2.gz ODXATDJQGCLJRV-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409067668 1072115680 /nfs/dbraw/zinc/11/56/80/1072115680.db2.gz QNZYPIXGXYHTMJ-UHFFFAOYSA-N -1 0 596.551 7.733 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067608 1072116955 /nfs/dbraw/zinc/11/69/55/1072116955.db2.gz GFBVMQPLAYTRLX-KGENOOAVSA-N -1 0 601.464 5.473 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000409298332 1072122492 /nfs/dbraw/zinc/12/24/92/1072122492.db2.gz ZBMFWEPPZPSTGU-UHFFFAOYSA-N -1 0 612.391 7.549 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409080848 1072118787 /nfs/dbraw/zinc/11/87/87/1072118787.db2.gz NVDOEAJUZHMAQF-AQLDOKNXSA-N -1 0 506.583 6.772 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409298393 1072119494 /nfs/dbraw/zinc/11/94/94/1072119494.db2.gz ZGUFBPBFAJHBAH-CYBMUJFWSA-N -1 0 536.810 5.069 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080385 1072122933 /nfs/dbraw/zinc/12/29/33/1072122933.db2.gz NMNWGRMBKSWVSM-MTDXEUNCSA-N -1 0 664.627 6.668 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409298057 1072122996 /nfs/dbraw/zinc/12/29/96/1072122996.db2.gz VSVGTJSTQRCXKH-LJQANCHMSA-N -1 0 588.617 5.545 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080273 1072124636 /nfs/dbraw/zinc/12/46/36/1072124636.db2.gz MQNHDCZRPJEFIE-UHFFFAOYSA-N -1 0 603.584 5.530 40 30 KKEBRM C[C@@H](Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-] ZINC000409297922 1072124650 /nfs/dbraw/zinc/12/46/50/1072124650.db2.gz MYONVZYPGCAQPK-LLVKDONJSA-N -1 0 724.131 5.400 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OCC)c1OCC(=O)[O-] ZINC000409297798 1072127180 /nfs/dbraw/zinc/12/71/80/1072127180.db2.gz LDHWGICGCZAGNU-UHFFFAOYSA-N -1 0 583.685 6.367 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)[O-] ZINC000409297657 1072129410 /nfs/dbraw/zinc/12/94/10/1072129410.db2.gz URTDGCJBJHBJQM-UHFFFAOYSA-N -1 0 674.245 5.531 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079755 1072131753 /nfs/dbraw/zinc/13/17/53/1072131753.db2.gz MEGCLXUNSQFORW-CIAFOILYSA-N -1 0 592.948 5.742 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409315011 1072138008 /nfs/dbraw/zinc/13/80/08/1072138008.db2.gz UHRKAIWQAXEBPF-QGZVFWFLSA-N -1 0 612.908 6.884 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409314711 1072140254 /nfs/dbraw/zinc/14/02/54/1072140254.db2.gz HBCWHLBQPYCMCB-UHFFFAOYSA-N -1 0 554.828 5.924 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000409313840 1072147379 /nfs/dbraw/zinc/14/73/79/1072147379.db2.gz DKTHYKDOJUZREX-LPHOPBHVSA-N -1 0 565.468 5.814 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409313846 1072147743 /nfs/dbraw/zinc/14/77/43/1072147743.db2.gz POZGUEIVWZTGNZ-UHFFFAOYSA-N -1 0 622.937 5.987 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409078131 1072149110 /nfs/dbraw/zinc/14/91/10/1072149110.db2.gz GSKZPKSSATZTRW-GBXCZQIRSA-N -1 0 561.874 7.536 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409313490 1072151910 /nfs/dbraw/zinc/15/19/10/1072151910.db2.gz CDHDWBQMMSRUSC-UHFFFAOYSA-N -1 0 580.435 5.288 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077830 1072152035 /nfs/dbraw/zinc/15/20/35/1072152035.db2.gz AEYFHVUREQNDIM-UHFFFAOYSA-N -1 0 679.442 7.065 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409312405 1072160954 /nfs/dbraw/zinc/16/09/54/1072160954.db2.gz LIYAUUFJDJSKOG-OAHLLOKOSA-N -1 0 647.751 7.248 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409312439 1072160969 /nfs/dbraw/zinc/16/09/69/1072160969.db2.gz KYWQKUBFSJPNHU-UHFFFAOYSA-N -1 0 564.436 5.670 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409312404 1072160991 /nfs/dbraw/zinc/16/09/91/1072160991.db2.gz LIYAUUFJDJSKOG-HNNXBMFYSA-N -1 0 647.751 7.248 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC000409313070 1072155840 /nfs/dbraw/zinc/15/58/40/1072155840.db2.gz AYXKBJDXKPYLGL-UHFFFAOYSA-N -1 0 627.539 7.069 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)cc(I)c1OCC(=O)[O-] ZINC000409086723 1072163369 /nfs/dbraw/zinc/16/33/69/1072163369.db2.gz WOLZZRQNRPAJHB-QEJVMSSVSA-N -1 0 650.535 6.249 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409086498 1072163969 /nfs/dbraw/zinc/16/39/69/1072163969.db2.gz ZVIZHLAJGMCNSD-AQIFPNHESA-N -1 0 556.482 7.278 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)cc([N+](=O)[O-])c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409086107 1072169800 /nfs/dbraw/zinc/16/98/00/1072169800.db2.gz YJAOLMFLVNLGJJ-GMUGERAYSA-N -1 0 560.470 6.549 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409311843 1072167310 /nfs/dbraw/zinc/16/73/10/1072167310.db2.gz BRULFBYRJZSZCW-UHFFFAOYSA-N -1 0 579.407 5.569 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409311344 1072171713 /nfs/dbraw/zinc/17/17/13/1072171713.db2.gz FZBRTIRHNDUMNR-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409085331 1072177765 /nfs/dbraw/zinc/17/77/65/1072177765.db2.gz ZFKKYUYWOUXUFX-BTSGDHMNSA-N -1 0 588.173 8.661 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409310968 1072176862 /nfs/dbraw/zinc/17/68/62/1072176862.db2.gz XNTMUPBLOZYMRB-KBPBESRZSA-N -1 0 550.837 5.459 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409310735 1072180636 /nfs/dbraw/zinc/18/06/36/1072180636.db2.gz BOPRZGHLCDMXBI-JTQLQIEISA-N -1 0 558.068 5.785 40 30 KKEBRM O=C([O-])c1ccc(-n2cccc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1 ZINC000409310314 1072182380 /nfs/dbraw/zinc/18/23/80/1072182380.db2.gz UJYDLLNIXMEWJV-UHFFFAOYSA-N -1 0 519.399 5.578 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409310428 1072183712 /nfs/dbraw/zinc/18/37/12/1072183712.db2.gz ACZNBJIWZJYRRX-MRXNPFEDSA-N -1 0 579.407 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409309318 1072192985 /nfs/dbraw/zinc/19/29/85/1072192985.db2.gz FKYHTQYQVJMUSS-CHWSQXEVSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409309948 1072187850 /nfs/dbraw/zinc/18/78/50/1072187850.db2.gz OIWMDSXFMIAOIP-VXGBXAGGSA-N -1 0 585.680 5.823 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409309731 1072188375 /nfs/dbraw/zinc/18/83/75/1072188375.db2.gz LUKDZNDBBVZLTM-MRXNPFEDSA-N -1 0 568.855 6.485 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(CN=Nc3ncccc3[N+](=O)[O-])cc2Br)cc1 ZINC000409084305 1072189728 /nfs/dbraw/zinc/18/97/28/1072189728.db2.gz CMZIXNXFYAXNNQ-YSURURNPSA-N -1 0 550.163 5.238 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409309518 1072191960 /nfs/dbraw/zinc/19/19/60/1072191960.db2.gz IQGNBOPPJUQGMM-MRXNPFEDSA-N -1 0 598.881 6.494 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c([O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409308911 1072198160 /nfs/dbraw/zinc/19/81/60/1072198160.db2.gz ZETUUWCIJKLZDG-UHFFFAOYSA-N -1 0 506.946 5.653 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308581 1072202462 /nfs/dbraw/zinc/20/24/62/1072202462.db2.gz YZGDXGZLWVEHGV-UHFFFAOYSA-N -1 0 598.881 6.278 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083207 1072202904 /nfs/dbraw/zinc/20/29/04/1072202904.db2.gz VBFDSNNGWTZMKL-FYJGNVAPSA-N -1 0 597.502 5.905 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409082966 1072206620 /nfs/dbraw/zinc/20/66/20/1072206620.db2.gz KEFXDPZRRWOGCH-PUJZZPHBSA-N -1 0 550.636 7.171 40 30 KKEBRM Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000409082557 1072209171 /nfs/dbraw/zinc/20/91/71/1072209171.db2.gz SUVSMBJMTHIIBF-YHEUAIPESA-N -1 0 513.619 5.334 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl ZINC000409308150 1072209235 /nfs/dbraw/zinc/20/92/35/1072209235.db2.gz WKJAFFYPUQVKDC-UHFFFAOYSA-N -1 0 508.317 5.462 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2[N+](=O)[O-])c1 ZINC000409308187 1072209665 /nfs/dbraw/zinc/20/96/65/1072209665.db2.gz XOFCPIKMBZNMPO-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409082132 1072214520 /nfs/dbraw/zinc/21/45/20/1072214520.db2.gz REEQDJHUNQHXMA-MBEPPJNHSA-N -1 0 557.716 7.278 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c3)cc21 ZINC000409307904 1072214484 /nfs/dbraw/zinc/21/44/84/1072214484.db2.gz VIRVPRBLIXGGHM-CQSZACIVSA-N -1 0 552.370 5.859 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409082055 1072216942 /nfs/dbraw/zinc/21/69/42/1072216942.db2.gz QXVRONWAIHICEM-UEODEGTFSA-N -1 0 647.580 9.095 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081740 1072219925 /nfs/dbraw/zinc/21/99/25/1072219925.db2.gz QMADBJCHBIITNU-UHFFFAOYSA-N -1 0 619.627 6.074 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409307345 1072223355 /nfs/dbraw/zinc/22/33/55/1072223355.db2.gz SDDURDXBVWWILF-UHFFFAOYSA-N -1 0 559.578 6.368 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409307421 1072221093 /nfs/dbraw/zinc/22/10/93/1072221093.db2.gz SVJSDNRYBHEKAX-UHFFFAOYSA-N -1 0 708.201 6.975 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409307435 1072221509 /nfs/dbraw/zinc/22/15/09/1072221509.db2.gz UQNCSJFSLVFCOO-UHFFFAOYSA-N -1 0 605.691 7.062 40 30 KKEBRM C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409307480 1072221862 /nfs/dbraw/zinc/22/18/62/1072221862.db2.gz SPQDQBURSDBYIG-UHFFFAOYSA-N -1 0 576.447 5.618 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409317231 1072224649 /nfs/dbraw/zinc/22/46/49/1072224649.db2.gz SVDGKZGSYMKVKK-KGLIPLIRSA-N -1 0 595.288 5.568 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409081183 1072226020 /nfs/dbraw/zinc/22/60/20/1072226020.db2.gz PCFGMFAESOFHPJ-WDHOPVFISA-N -1 0 537.037 5.875 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC000409316751 1072227773 /nfs/dbraw/zinc/22/77/73/1072227773.db2.gz MEHPPLSITZCDOP-NSHDSACASA-N -1 0 616.104 5.543 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC000409317024 1072227793 /nfs/dbraw/zinc/22/77/93/1072227793.db2.gz NNQHOJBUIGERLN-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409316075 1072234804 /nfs/dbraw/zinc/23/48/04/1072234804.db2.gz KWJJDNALWFBRQO-UHFFFAOYSA-N -1 0 534.410 5.661 40 30 KKEBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409094257 1072247383 /nfs/dbraw/zinc/24/73/83/1072247383.db2.gz CWUSEZAKDJMUEC-SSDVNMTOSA-N -1 0 628.469 5.854 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC000409325797 1072252858 /nfs/dbraw/zinc/25/28/58/1072252858.db2.gz BFLBAQVJSHROLB-IBGZPJMESA-N -1 0 584.470 6.985 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409093246 1072254279 /nfs/dbraw/zinc/25/42/79/1072254279.db2.gz YJKFVNDARAUWOR-SJJYLRMESA-N -1 0 682.423 9.459 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(OCC)c1 ZINC000409324796 1072261645 /nfs/dbraw/zinc/26/16/45/1072261645.db2.gz VMWAYQIKLSIXFD-UHFFFAOYSA-N -1 0 581.261 5.008 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409325098 1072259349 /nfs/dbraw/zinc/25/93/49/1072259349.db2.gz WSMZQMKPQGRFOW-IBGZPJMESA-N -1 0 604.501 6.569 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409325113 1072259764 /nfs/dbraw/zinc/25/97/64/1072259764.db2.gz WTIYQUWWILOSLJ-UHFFFAOYSA-N -1 0 660.306 6.266 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409324922 1072260206 /nfs/dbraw/zinc/26/02/06/1072260206.db2.gz WLDMQPPCZHYBOX-UHFFFAOYSA-N -1 0 703.815 7.791 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409324601 1072265264 /nfs/dbraw/zinc/26/52/64/1072265264.db2.gz UJOZWEBSFLGQMD-UHFFFAOYSA-N -1 0 603.517 6.432 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409324196 1072266862 /nfs/dbraw/zinc/26/68/62/1072266862.db2.gz ROTPUROYLRFNNZ-KRWDZBQOSA-N -1 0 704.359 6.835 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409091213 1072273297 /nfs/dbraw/zinc/27/32/97/1072273297.db2.gz RQJCHOISPANOCK-UHFFFAOYSA-N -1 0 567.938 5.447 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCC(=O)[O-] ZINC000409323463 1072273635 /nfs/dbraw/zinc/27/36/35/1072273635.db2.gz OELOKPWPLUMIOW-CYBMUJFWSA-N -1 0 536.810 5.070 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409323965 1072270059 /nfs/dbraw/zinc/27/00/59/1072270059.db2.gz QILQLEARKPVSQY-CYBMUJFWSA-N -1 0 577.819 5.502 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090754 1072277384 /nfs/dbraw/zinc/27/73/84/1072277384.db2.gz PZDMXVOSMLEICL-UHFFFAOYSA-N -1 0 626.018 6.236 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000409321447 1072291411 /nfs/dbraw/zinc/29/14/11/1072291411.db2.gz HPTTVDSVPCEUII-ZDUSSCGKSA-N -1 0 528.790 6.166 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089203 1072291642 /nfs/dbraw/zinc/29/16/42/1072291642.db2.gz IAVSAGQAFIUTBD-WPWMEQJKSA-N -1 0 650.600 6.278 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c2C(=O)Nc2ccccc2)C1 ZINC000409089007 1072292719 /nfs/dbraw/zinc/29/27/19/1072292719.db2.gz GWBADDCLRPLYQL-ZHYUTQBBSA-N -1 0 561.103 8.514 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409088667 1072297198 /nfs/dbraw/zinc/29/71/98/1072297198.db2.gz GIOQOTOKVUTJIR-ZUATZMMSSA-N -1 0 665.639 9.495 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409320515 1072301595 /nfs/dbraw/zinc/30/15/95/1072301595.db2.gz BOPJWHODDKNVQP-QGZVFWFLSA-N -1 0 704.359 6.835 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC000409320294 1072302453 /nfs/dbraw/zinc/30/24/53/1072302453.db2.gz PVYMUWRZTHVMOC-CHWSQXEVSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000409320376 1072303063 /nfs/dbraw/zinc/30/30/63/1072303063.db2.gz AONSGPICYJAVDZ-VXGBXAGGSA-N -1 0 596.232 5.077 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409319380 1072310410 /nfs/dbraw/zinc/31/04/10/1072310410.db2.gz FFMPGEAFFSRGPT-UHFFFAOYSA-N -1 0 565.380 5.179 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)c([O-])c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409087667 1072304831 /nfs/dbraw/zinc/30/48/31/1072304831.db2.gz DCJBSUMLSNCDFL-BNWUJJENSA-N -1 0 624.826 8.786 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409320229 1072304838 /nfs/dbraw/zinc/30/48/38/1072304838.db2.gz CIYHBPLLLDKOIU-UHFFFAOYSA-N -1 0 603.300 6.968 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC000409319818 1072306218 /nfs/dbraw/zinc/30/62/18/1072306218.db2.gz MGGGVPOPIGJSIB-RYUDHWBXSA-N -1 0 660.157 5.940 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409319711 1072307926 /nfs/dbraw/zinc/30/79/26/1072307926.db2.gz KSBMTZFKUIPQLI-HXUWFJFHSA-N -1 0 591.506 6.348 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409319710 1072308040 /nfs/dbraw/zinc/30/80/40/1072308040.db2.gz KSBMTZFKUIPQLI-FQEVSTJZSA-N -1 0 591.506 6.348 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409319145 1072313491 /nfs/dbraw/zinc/31/34/91/1072313491.db2.gz AYJBJQOTUOZFOK-HNNXBMFYSA-N -1 0 786.202 7.041 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC000409318910 1072316603 /nfs/dbraw/zinc/31/66/03/1072316603.db2.gz YLUVCTQACGWSGP-UHFFFAOYSA-N -1 0 535.442 5.798 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC000409318000 1072323661 /nfs/dbraw/zinc/32/36/61/1072323661.db2.gz UAYKZTRMGFPZLP-UHFFFAOYSA-N -1 0 657.359 6.822 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC000409317513 1072327166 /nfs/dbraw/zinc/32/71/66/1072327166.db2.gz URZJDXNWGNSXMD-UHFFFAOYSA-N -1 0 736.255 7.585 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1Br ZINC000409099076 1072327234 /nfs/dbraw/zinc/32/72/34/1072327234.db2.gz PYLVMWXCAMBNOH-SSDVNMTOSA-N -1 0 551.443 6.004 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000409317547 1072327274 /nfs/dbraw/zinc/32/72/74/1072327274.db2.gz VHGXLERTXIRHLM-HNNXBMFYSA-N -1 0 521.415 5.660 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC000409317416 1072328505 /nfs/dbraw/zinc/32/85/05/1072328505.db2.gz QKMIPMXKZWUKDU-UHFFFAOYSA-N -1 0 708.201 6.805 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409336575 1072331171 /nfs/dbraw/zinc/33/11/71/1072331171.db2.gz PTRLPPAWVCVFFS-JXMVDPOESA-N -1 0 510.597 5.404 40 30 KKEBRM COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409098295 1072333263 /nfs/dbraw/zinc/33/32/63/1072333263.db2.gz PIKAWJWKUFFQEI-IPBVOBEMSA-N -1 0 523.851 5.999 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409335799 1072336262 /nfs/dbraw/zinc/33/62/62/1072336262.db2.gz YIYQYGCBWVNANT-UHFFFAOYSA-N -1 0 644.566 7.493 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(I)c1OCc1ccc(Br)cc1 ZINC000409335635 1072337085 /nfs/dbraw/zinc/33/70/85/1072337085.db2.gz KZGMFDFUAPEINJ-BCNTYESTSA-N -1 0 670.392 6.863 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409335494 1072338560 /nfs/dbraw/zinc/33/85/60/1072338560.db2.gz OMSKDQMRWXHLOP-QWHCGFSZSA-N -1 0 581.261 5.178 40 30 KKEBRM CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409106578 1072342530 /nfs/dbraw/zinc/34/25/30/1072342530.db2.gz OCUUVHFVTRXQLB-VPUKRXIYSA-N -1 0 585.320 5.827 40 30 KKEBRM Cc1cc(/N=C\c2cc(Br)cc(I)c2[O-])ccc1I ZINC000409106648 1072341728 /nfs/dbraw/zinc/34/17/28/1072341728.db2.gz OPRMKWJKDKLJNL-WSVATBPTSA-N -1 0 541.952 5.423 40 30 KKEBRM Cc1c(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409334704 1072342997 /nfs/dbraw/zinc/34/29/97/1072342997.db2.gz VVTGKHQSPABHRH-QRVIBDJDSA-N -1 0 514.657 5.477 40 30 KKEBRM N#Cc1ccc(COc2c(I)cc(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)cc2I)cc1 ZINC000409102454 1072365963 /nfs/dbraw/zinc/36/59/63/1072365963.db2.gz ZVSCCHXVLAKRMH-RQZCQDPDSA-N -1 0 676.295 5.022 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409328066 1072396014 /nfs/dbraw/zinc/39/60/14/1072396014.db2.gz YPWOMGGDXNUROT-UHFFFAOYSA-N -1 0 561.480 6.503 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409328084 1072396084 /nfs/dbraw/zinc/39/60/84/1072396084.db2.gz YTHXZUVYGWRZAA-UHFFFAOYSA-N -1 0 762.293 8.290 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Br)c1Br ZINC000409337430 1072496032 /nfs/dbraw/zinc/49/60/32/1072496032.db2.gz YHQAVJNEYQPZIK-NSHDSACASA-N -1 0 646.130 5.552 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(OC)c(OCc4ccccc4)cc3Br)SC2=N)s1 ZINC000409337434 1072496164 /nfs/dbraw/zinc/49/61/64/1072496164.db2.gz UPMGJCVDFYCJDI-GHNUIPLLSA-N -1 0 530.469 5.868 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(OC)c(OCc4ccccc4)cc3Br)SC2=N)s1 ZINC000409337431 1072496209 /nfs/dbraw/zinc/49/62/09/1072496209.db2.gz UPMGJCVDFYCJDI-FJFHHJEGSA-N -1 0 530.469 5.868 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409132806 1072502070 /nfs/dbraw/zinc/50/20/70/1072502070.db2.gz RMPSERXJABERQH-VXLYETTFSA-N -1 0 508.379 5.430 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1Cl ZINC000409132862 1072502295 /nfs/dbraw/zinc/50/22/95/1072502295.db2.gz KIIUGZGOQCJMGW-LICLKQGHSA-N -1 0 519.381 5.018 40 30 KKEBRM CCOc1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc(Br)c1[O-] ZINC000409356220 1072504141 /nfs/dbraw/zinc/50/41/41/1072504141.db2.gz GAHNZMLMYREVJW-WCMJOSRZSA-N -1 0 515.407 7.720 40 30 KKEBRM Cc1ccc(-c2oc(/N=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409351452 1072536200 /nfs/dbraw/zinc/53/62/00/1072536200.db2.gz TUMHQEJHSKCLDR-KVAAJVFYSA-N -1 0 520.972 8.464 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409141732 1072551430 /nfs/dbraw/zinc/55/14/30/1072551430.db2.gz IUFHVROBJUKIPR-AJBULDERSA-N -1 0 634.729 7.005 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409139515 1072564435 /nfs/dbraw/zinc/56/44/35/1072564435.db2.gz OAOWFFZFZOFUKN-WGOQTCKBSA-N -1 0 615.639 5.370 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409359532 1072611915 /nfs/dbraw/zinc/61/19/15/1072611915.db2.gz OXIXQSFKSJWJNG-NRFANRHFSA-N -1 0 576.506 5.717 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C(=O)[O-])o3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000409149454 1072635680 /nfs/dbraw/zinc/63/56/80/1072635680.db2.gz GQVBERVLTLIZSU-ATZGPIRCSA-N -1 0 563.522 7.119 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000409149369 1072637148 /nfs/dbraw/zinc/63/71/48/1072637148.db2.gz CZWCOMXKMWIAJZ-DPNNOFEESA-N -1 0 518.525 7.211 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)SC2=Nc2ccccc2)cc1 ZINC000409378525 1072675223 /nfs/dbraw/zinc/67/52/23/1072675223.db2.gz PQISLWPZZLTSSI-ZFHODCGLSA-N -1 0 616.070 6.999 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409378223 1072676747 /nfs/dbraw/zinc/67/67/47/1072676747.db2.gz NLNNUTROYNHLMO-LFVJCYFKSA-N -1 0 530.621 5.536 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409387035 1072683554 /nfs/dbraw/zinc/68/35/54/1072683554.db2.gz YXAMDJQFSULTPG-GRSHGNNSSA-N -1 0 519.362 5.764 40 30 KKEBRM Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c2)cc1C ZINC000409386564 1072685708 /nfs/dbraw/zinc/68/57/08/1072685708.db2.gz MVNVBOHXZQVWGV-DLCFNHLJSA-N -1 0 591.689 6.823 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385308 1072694365 /nfs/dbraw/zinc/69/43/65/1072694365.db2.gz JFWZLIBZSIMHJG-HGWZLFDGSA-N -1 0 561.729 6.516 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1 ZINC000409382177 1072708040 /nfs/dbraw/zinc/70/80/40/1072708040.db2.gz LXDSATIBNQTWAA-PMACEKPBSA-N -1 0 587.400 5.338 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409380106 1072718646 /nfs/dbraw/zinc/71/86/46/1072718646.db2.gz HYIYTOOOSSAGBR-UXHLAJHPSA-N -1 0 560.679 5.939 40 30 KKEBRM COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000409174642 1072721289 /nfs/dbraw/zinc/72/12/89/1072721289.db2.gz WERSDRHVMSETNF-YDZHTSKRSA-N -1 0 500.532 5.081 40 30 KKEBRM COC(=O)c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c3ccccc32)o1 ZINC000409394046 1072723998 /nfs/dbraw/zinc/72/39/98/1072723998.db2.gz UVRPGSFPWQZMIY-QCJXYKLRSA-N -1 0 591.645 6.572 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409388004 1072739896 /nfs/dbraw/zinc/73/98/96/1072739896.db2.gz ZPJHPPTZHHUYIM-OEYGSIICSA-N -1 0 576.744 5.803 40 30 KKEBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1C#N ZINC000409400489 1072745619 /nfs/dbraw/zinc/74/56/19/1072745619.db2.gz RVWBQRZKNKHQSW-ODLFYWEKSA-N -1 0 538.785 5.023 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1C#N ZINC000409400481 1072745710 /nfs/dbraw/zinc/74/57/10/1072745710.db2.gz RTWJQDFLPJDHRD-NDENLUEZSA-N -1 0 597.263 5.522 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409406966 1072754915 /nfs/dbraw/zinc/75/49/15/1072754915.db2.gz ZCPZVLIANQAYFJ-UHFFFAOYSA-N -1 0 539.975 5.885 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000409406416 1072757967 /nfs/dbraw/zinc/75/79/67/1072757967.db2.gz QNPNSEUPABKORL-UHFFFAOYSA-N -1 0 599.397 5.894 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000409404342 1072766528 /nfs/dbraw/zinc/76/65/28/1072766528.db2.gz KNUWFRMFCHEBFS-UHFFFAOYSA-N -1 0 520.501 5.131 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(CC=C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185189 1072773007 /nfs/dbraw/zinc/77/30/07/1072773007.db2.gz KEGGAWQVPLFDAM-NNSRRLTQSA-N -1 0 740.676 7.034 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC000409401857 1072778477 /nfs/dbraw/zinc/77/84/77/1072778477.db2.gz FMGJGJWGUSBZDI-CQSZACIVSA-N -1 0 526.774 5.214 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000409401478 1072781045 /nfs/dbraw/zinc/78/10/45/1072781045.db2.gz YQIOTUOWWXINLX-JAIQZWGSSA-N -1 0 508.759 5.015 40 30 KKEBRM CC1CCN(S(=O)([O-])=C2C=CC(=NC(=O)CSc3ncnc4sc5c(c43)CC[C@H](C(C)(C)C)C5)C=C2)CC1 ZINC000409415947 1072784741 /nfs/dbraw/zinc/78/47/41/1072784741.db2.gz BIGUOUZZMLNQNE-IBGZPJMESA-N -1 0 572.822 5.605 40 30 KKEBRM CC[C@H]1CCCCN1S(=O)([O-])=C1C=CC(=NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)C=C1 ZINC000409416047 1072784848 /nfs/dbraw/zinc/78/48/48/1072784848.db2.gz SJDUDXXNXGHHTQ-NRFANRHFSA-N -1 0 552.747 5.653 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409407616 1072820320 /nfs/dbraw/zinc/82/03/20/1072820320.db2.gz UXYFJPKRGPZGLJ-UHFFFAOYSA-N -1 0 588.845 6.639 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409204312 1072906514 /nfs/dbraw/zinc/90/65/14/1072906514.db2.gz FCRNPHJDVNZEIO-OKCVXOCRSA-N -1 0 581.260 8.032 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000409199665 1072924784 /nfs/dbraw/zinc/92/47/84/1072924784.db2.gz CNDWSHRBPOKSES-YHEUAIPESA-N -1 0 530.650 5.253 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531099910 1072929177 /nfs/dbraw/zinc/92/91/77/1072929177.db2.gz FMYYXYFEVRWCRZ-CPDSRJINSA-N -1 0 609.433 5.533 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409208170 1072938996 /nfs/dbraw/zinc/93/89/96/1072938996.db2.gz BPAIGWAIZSLXSW-KZINRLMESA-N -1 0 547.471 5.824 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531131342 1072939068 /nfs/dbraw/zinc/93/90/68/1072939068.db2.gz JYWMWIWAPVGAHQ-WKULSOCRSA-N -1 0 550.409 5.280 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531139212 1072942727 /nfs/dbraw/zinc/94/27/27/1072942727.db2.gz VCNRDXFZCHIVTP-NUJZUDFISA-N -1 0 579.407 5.524 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531149799 1072945520 /nfs/dbraw/zinc/94/55/20/1072945520.db2.gz QRZOULUOBRTBCD-RINLEZQFSA-N -1 0 629.733 6.005 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409213825 1072954190 /nfs/dbraw/zinc/95/41/90/1072954190.db2.gz UVAMFIRKQXWQOS-FDAWAROLSA-N -1 0 546.417 7.668 40 30 KKEBRM CC(C)/N=C1\S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N1C(C)C ZINC000409213002 1072957043 /nfs/dbraw/zinc/95/70/43/1072957043.db2.gz RXRIPKNRABGWFS-XDTDMHIPSA-N -1 0 517.445 5.815 40 30 KKEBRM Cc1c(Cl)cccc1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409212236 1072959904 /nfs/dbraw/zinc/95/99/04/1072959904.db2.gz OVDPZUKWIQQCID-KBKYJPHKSA-N -1 0 537.635 7.201 40 30 KKEBRM CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1 ZINC000409210362 1072965603 /nfs/dbraw/zinc/96/56/03/1072965603.db2.gz JZPIPSKBJCHEBO-LGJNPRDNSA-N -1 0 517.217 6.802 40 30 KKEBRM COc1cc(Br)c(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409209500 1072968135 /nfs/dbraw/zinc/96/81/35/1072968135.db2.gz BYZMNEWNCRTUMH-UHFFFAOYSA-N -1 0 546.458 5.237 40 30 KKEBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)C1=O ZINC000409227105 1072971140 /nfs/dbraw/zinc/97/11/40/1072971140.db2.gz OWQGCJXGVYSUGQ-MTDXEUNCSA-N -1 0 560.610 5.610 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531225226 1072974936 /nfs/dbraw/zinc/97/49/36/1072974936.db2.gz XTPJUXLMURSJEB-XAZZYMPDSA-N -1 0 786.202 6.870 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC001531225218 1072974970 /nfs/dbraw/zinc/97/49/70/1072974970.db2.gz XMCPGVLXXQVHDU-OXDZLNHXSA-N -1 0 595.288 5.352 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001531229590 1072978463 /nfs/dbraw/zinc/97/84/63/1072978463.db2.gz DYBMUSONNKDMBM-GNZFJNCUSA-N -1 0 506.784 5.060 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531229850 1072978873 /nfs/dbraw/zinc/97/88/73/1072978873.db2.gz JLUAALYAVJYLDC-FJEPWZHXSA-N -1 0 543.421 5.695 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531231245 1072981130 /nfs/dbraw/zinc/98/11/30/1072981130.db2.gz ABQAVKWWTILXAO-XHWYIDKJSA-N -1 0 604.501 6.569 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531231244 1072981241 /nfs/dbraw/zinc/98/12/41/1072981241.db2.gz ABQAVKWWTILXAO-CPKNUWDISA-N -1 0 604.501 6.569 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001531231512 1072982735 /nfs/dbraw/zinc/98/27/35/1072982735.db2.gz LDDGMOYLAUPSKC-IJWZPVHRSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(Br)cc(Br)c([O-])c1Br ZINC001531234254 1072987146 /nfs/dbraw/zinc/98/71/46/1072987146.db2.gz RTRQPXSCZNRCRP-HOKURIJDSA-N -1 0 636.964 6.548 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC001531235826 1072988604 /nfs/dbraw/zinc/98/86/04/1072988604.db2.gz CMQZSJZUVYLPRU-CPKNUWDISA-N -1 0 584.470 6.985 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531238755 1072994457 /nfs/dbraw/zinc/99/44/57/1072994457.db2.gz VNJRKMUJYHGHQT-VFLNYLIXSA-N -1 0 599.825 5.833 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531245118 1073001304 /nfs/dbraw/zinc/00/13/04/1073001304.db2.gz PFVIOAVZUHYKHU-WCMJOSRZSA-N -1 0 557.448 6.003 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409220671 1073002867 /nfs/dbraw/zinc/00/28/67/1073002867.db2.gz DBTKVDHBPSBPIW-WLZRAQTASA-N -1 0 541.000 6.389 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC001531264548 1073022668 /nfs/dbraw/zinc/02/26/68/1073022668.db2.gz AQTSSZKDPGZRMN-ROPCREHHSA-N -1 0 691.804 7.476 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531268419 1073026236 /nfs/dbraw/zinc/02/62/36/1073026236.db2.gz AKELPSFTNAIMEQ-DPNNOFEESA-N -1 0 604.501 6.398 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531268480 1073026504 /nfs/dbraw/zinc/02/65/04/1073026504.db2.gz DTIAZKNGORFANG-ZVYABZQBSA-N -1 0 585.680 5.652 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001531268821 1073029577 /nfs/dbraw/zinc/02/95/77/1073029577.db2.gz DEKMIKRIJBALAZ-HRXXRIAWSA-N -1 0 534.410 5.832 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c([O-])c(Br)c1 ZINC001531275162 1073035460 /nfs/dbraw/zinc/03/54/60/1073035460.db2.gz AJCZRTOJJXTGAM-AUEPDCJTSA-N -1 0 513.617 5.505 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409235565 1073042922 /nfs/dbraw/zinc/04/29/22/1073042922.db2.gz CCXMZDAVOUUOSV-FYSQBISVSA-N -1 0 525.808 5.198 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531277958 1073043436 /nfs/dbraw/zinc/04/34/36/1073043436.db2.gz LJGAWQIUPIBEFW-DZBQQWFISA-N -1 0 615.706 5.660 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC001531277979 1073043782 /nfs/dbraw/zinc/04/37/82/1073043782.db2.gz NMXHZDQRZRMCHW-UVFOXEMKSA-N -1 0 722.228 7.366 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531277972 1073043902 /nfs/dbraw/zinc/04/39/02/1073043902.db2.gz MQRIYVBZHAZYHV-IBBHUPRXSA-N -1 0 598.881 6.323 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2cccc(C(=O)[O-])c2C)o1 ZINC001531282394 1073047638 /nfs/dbraw/zinc/04/76/38/1073047638.db2.gz SLCLDGNJHAYNPB-ZKJHFGPLSA-N -1 0 508.372 5.821 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531283230 1073049780 /nfs/dbraw/zinc/04/97/80/1073049780.db2.gz NOUKJLDHFMNPBL-UVPDUMAMSA-N -1 0 564.436 5.841 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531285247 1073052363 /nfs/dbraw/zinc/05/23/63/1073052363.db2.gz JFKPKUUYZXOFPL-OKCVXOCRSA-N -1 0 564.436 5.670 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531285464 1073054357 /nfs/dbraw/zinc/05/43/57/1073054357.db2.gz YLVWCFWKZOGANK-VLCQYKRPSA-N -1 0 623.460 6.139 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531289482 1073056153 /nfs/dbraw/zinc/05/61/53/1073056153.db2.gz NCHLFCOBCWQSPS-AMVVHIIESA-N -1 0 658.303 6.332 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409233284 1073056404 /nfs/dbraw/zinc/05/64/04/1073056404.db2.gz FGIUNYYLBQAGHU-CSBWODFHSA-N -1 0 523.010 6.250 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531292304 1073063331 /nfs/dbraw/zinc/06/33/31/1073063331.db2.gz KVXMSIHVJKZMGC-VVEOGCPPSA-N -1 0 678.175 6.796 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@H](C)C(=O)[O-] ZINC001531292551 1073064477 /nfs/dbraw/zinc/06/44/77/1073064477.db2.gz UMZAWNYEBLXEJU-PTFKFJSFSA-N -1 0 551.235 5.169 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531297547 1073072651 /nfs/dbraw/zinc/07/26/51/1073072651.db2.gz FYROATISJHFWCL-IBBHUPRXSA-N -1 0 690.332 6.274 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001531303216 1073076426 /nfs/dbraw/zinc/07/64/26/1073076426.db2.gz IYUSHEIGYYBVSU-DESFHTRISA-N -1 0 541.229 5.713 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409245865 1073081743 /nfs/dbraw/zinc/08/17/43/1073081743.db2.gz ABOFNFHISZKKMV-LDADJPATSA-N -1 0 521.067 5.391 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001531304525 1073082265 /nfs/dbraw/zinc/08/22/65/1073082265.db2.gz HPTTVDSVPCEUII-PKCARXMOSA-N -1 0 528.790 6.166 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531304717 1073084078 /nfs/dbraw/zinc/08/40/78/1073084078.db2.gz WMXAQBFLXYDDMW-VTKCVZDWSA-N -1 0 736.255 7.756 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531309666 1073084429 /nfs/dbraw/zinc/08/44/29/1073084429.db2.gz ABRVYTWEFVKAMU-AMVVHIIESA-N -1 0 629.305 6.042 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1OCC(=O)[O-] ZINC001531309916 1073085187 /nfs/dbraw/zinc/08/51/87/1073085187.db2.gz NMNSDKPSKGJVAQ-ICENNLKGSA-N -1 0 660.157 5.942 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCC(=O)[O-] ZINC001531310254 1073087193 /nfs/dbraw/zinc/08/71/93/1073087193.db2.gz OELOKPWPLUMIOW-LGXUHMPSSA-N -1 0 536.810 5.070 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531312279 1073089942 /nfs/dbraw/zinc/08/99/42/1073089942.db2.gz QBBHTWJABZGDHJ-UHRFHUGISA-N -1 0 557.448 6.256 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531312276 1073090076 /nfs/dbraw/zinc/09/00/76/1073090076.db2.gz QBBHTWJABZGDHJ-IKKNOINJSA-N -1 0 557.448 6.256 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409244169 1073090698 /nfs/dbraw/zinc/09/06/98/1073090698.db2.gz YVPKODCGLXAJPW-RGVLZGJSSA-N -1 0 554.619 5.756 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531317855 1073093603 /nfs/dbraw/zinc/09/36/03/1073093603.db2.gz XCUFIMRRPLSUDI-VFLNYLIXSA-N -1 0 644.276 5.942 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409242756 1073095441 /nfs/dbraw/zinc/09/54/41/1073095441.db2.gz SXIGNUTWHNPSTD-OGLMXYFKSA-N -1 0 546.652 5.685 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531318738 1073096030 /nfs/dbraw/zinc/09/60/30/1073096030.db2.gz XLAAEQSUBZAWPX-ZFQVWYPFSA-N -1 0 657.359 6.993 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531319433 1073098112 /nfs/dbraw/zinc/09/81/12/1073098112.db2.gz SGMQTMBKTWBSEP-BNWUJJENSA-N -1 0 658.303 6.503 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531325297 1073099505 /nfs/dbraw/zinc/09/95/05/1073099505.db2.gz LGHKLEGDVPTAKK-BNWUJJENSA-N -1 0 613.852 6.394 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531325569 1073100951 /nfs/dbraw/zinc/10/09/51/1073100951.db2.gz VCAMTQLNHSXMKE-IPPBACCNSA-N -1 0 599.279 6.033 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC001531325668 1073101962 /nfs/dbraw/zinc/10/19/62/1073101962.db2.gz ZWLCJMLUQLMFKR-HWDKICEFSA-N -1 0 642.288 5.239 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC001531326136 1073101977 /nfs/dbraw/zinc/10/19/77/1073101977.db2.gz AXNZDGDJDWJRKU-HRXXRIAWSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@@H](C)C(=O)[O-])c2ccccc12 ZINC001531326509 1073104044 /nfs/dbraw/zinc/10/40/44/1073104044.db2.gz MAEYZYQXRJAUKI-DAVCNSLASA-N -1 0 509.404 5.463 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC001531326575 1073105034 /nfs/dbraw/zinc/10/50/34/1073105034.db2.gz IHOTVAQCQFWHAG-AUEPDCJTSA-N -1 0 558.068 5.614 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531326567 1073105093 /nfs/dbraw/zinc/10/50/93/1073105093.db2.gz GXCNRTSRJQKYHU-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531326599 1073105656 /nfs/dbraw/zinc/10/56/56/1073105656.db2.gz KMOOKNALTWFREU-AMVVHIIESA-N -1 0 613.852 6.223 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC001531326628 1073105987 /nfs/dbraw/zinc/10/59/87/1073105987.db2.gz NFWDDTLBYPWEQV-HWDKICEFSA-N -1 0 550.837 5.288 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC001531329130 1073110624 /nfs/dbraw/zinc/11/06/24/1073110624.db2.gz FUASKERWWWCSHI-RTHFECFVSA-N -1 0 643.332 6.603 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531329575 1073113132 /nfs/dbraw/zinc/11/31/32/1073113132.db2.gz ZTCWVQYPYNZMQS-IBBHUPRXSA-N -1 0 690.332 6.274 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001531333107 1073116785 /nfs/dbraw/zinc/11/67/85/1073116785.db2.gz BBBXHDNQADKRQC-UVHMKAGCSA-N -1 0 528.790 5.995 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC001531333408 1073118281 /nfs/dbraw/zinc/11/82/81/1073118281.db2.gz NKMFAGCBUKUKPF-ACLYYTTKSA-N -1 0 724.131 5.616 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531337276 1073122250 /nfs/dbraw/zinc/12/22/50/1073122250.db2.gz RSVXMVSIQNGZLD-IPPBACCNSA-N -1 0 595.406 5.188 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531337255 1073122289 /nfs/dbraw/zinc/12/22/89/1073122289.db2.gz PBDADIJJBFDPMS-ALQBTCKLSA-N -1 0 618.528 6.788 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531340937 1073130388 /nfs/dbraw/zinc/13/03/88/1073130388.db2.gz ZXPYGCIQRBPRLS-VVEOGCPPSA-N -1 0 589.273 6.578 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531342610 1073130408 /nfs/dbraw/zinc/13/04/08/1073130408.db2.gz AOCZWZAXCHFSJL-UVPDUMAMSA-N -1 0 564.436 5.841 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Br)c1Br ZINC001531340927 1073130412 /nfs/dbraw/zinc/13/04/12/1073130412.db2.gz YHQAVJNEYQPZIK-DFZVVERJSA-N -1 0 646.130 5.552 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC001531342815 1073132648 /nfs/dbraw/zinc/13/26/48/1073132648.db2.gz OMSKDQMRWXHLOP-MLZXSMIQSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC001531342819 1073132704 /nfs/dbraw/zinc/13/27/04/1073132704.db2.gz OMSKDQMRWXHLOP-SSAQJZBFSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC001531342958 1073133575 /nfs/dbraw/zinc/13/35/75/1073133575.db2.gz UDGWJVCCLHUZKG-UVFOXEMKSA-N -1 0 677.777 7.256 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531347699 1073139511 /nfs/dbraw/zinc/13/95/11/1073139511.db2.gz SMGORSRRWOIXOU-RTHFECFVSA-N -1 0 598.881 6.494 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531382626 1073145175 /nfs/dbraw/zinc/14/51/75/1073145175.db2.gz CHLNFOHPUJFXJL-VTNSRFBWSA-N -1 0 584.426 5.994 40 30 KKEBRM COc1cc(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1OCc1cccc(C(=O)[O-])c1 ZINC001531382740 1073146691 /nfs/dbraw/zinc/14/66/91/1073146691.db2.gz JPTFOJBCSKLHMQ-VTNSRFBWSA-N -1 0 584.426 5.994 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531382807 1073147488 /nfs/dbraw/zinc/14/74/88/1073147488.db2.gz MZFWSGFFVZCFHZ-VTNSRFBWSA-N -1 0 631.426 5.836 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409248117 1073149685 /nfs/dbraw/zinc/14/96/85/1073149685.db2.gz GCULZUXMPYOKTF-BHDWBNQASA-N -1 0 516.619 5.784 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531383549 1073152616 /nfs/dbraw/zinc/15/26/16/1073152616.db2.gz KPZCSDUXMRBDRW-DPNNOFEESA-N -1 0 598.453 6.384 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)c1 ZINC001531383592 1073152999 /nfs/dbraw/zinc/15/29/99/1073152999.db2.gz MZWXYZVMWZDOEM-KBVAKVRCSA-N -1 0 509.949 5.876 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531384632 1073160486 /nfs/dbraw/zinc/16/04/86/1073160486.db2.gz JKKSAFAZJKXAMM-KVAAJVFYSA-N -1 0 632.898 7.038 40 30 KKEBRM CC(C)CC(NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC001560408651 1073195284 /nfs/dbraw/zinc/19/52/84/1073195284.db2.gz ICIZQSGSEWTCBM-UHFFFAOYSA-N -1 0 573.710 6.160 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000003049981 1073200831 /nfs/dbraw/zinc/20/08/31/1073200831.db2.gz ZQOMDNLBMAUECO-YSURURNPSA-N -1 0 553.581 6.972 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409276141 1073293368 /nfs/dbraw/zinc/29/33/68/1073293368.db2.gz OCFFLCBZHJLVCG-UHFFFAOYSA-N -1 0 568.855 6.269 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)cc1C(C)C ZINC000409275954 1073294613 /nfs/dbraw/zinc/29/46/13/1073294613.db2.gz NHIWWMLLSLSCBD-FQEVSTJZSA-N -1 0 513.594 5.628 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N(C)C)cc3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409275516 1073297971 /nfs/dbraw/zinc/29/79/71/1073297971.db2.gz JWWHLQYRBWGWNK-UHFFFAOYSA-N -1 0 588.620 6.044 40 30 KKEBRM O=C([O-])COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1 ZINC000409275360 1073299520 /nfs/dbraw/zinc/29/95/20/1073299520.db2.gz IULLXCOGTNKOFV-UHFFFAOYSA-N -1 0 631.664 6.334 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@H](C)C(=O)[O-])c(OCC)c2)cc1C(C)C ZINC000409274669 1073308233 /nfs/dbraw/zinc/30/82/33/1073308233.db2.gz FORVTYWSIKNBQE-HXUWFJFHSA-N -1 0 592.092 6.680 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCC(=O)[O-])c(I)c2)cc1C(C)C ZINC000409273977 1073315053 /nfs/dbraw/zinc/31/50/53/1073315053.db2.gz AZQNJCJIPPXYLS-UHFFFAOYSA-N -1 0 737.332 6.059 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409277296 1073322828 /nfs/dbraw/zinc/32/28/28/1073322828.db2.gz BNJFBYYNTISQEU-OAHLLOKOSA-N -1 0 610.848 6.358 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409276801 1073326656 /nfs/dbraw/zinc/32/66/56/1073326656.db2.gz WOBUWCOLVBZVBI-UHFFFAOYSA-N -1 0 689.006 8.469 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)o2)cc1Cl ZINC000409276682 1073328712 /nfs/dbraw/zinc/32/87/12/1073328712.db2.gz VAFFRCVJLDPHOB-UHFFFAOYSA-N -1 0 544.350 6.957 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000409276548 1073330307 /nfs/dbraw/zinc/33/03/07/1073330307.db2.gz SPWMRJOIJXRZGY-UHFFFAOYSA-N -1 0 615.278 5.652 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC000409287043 1073340039 /nfs/dbraw/zinc/34/00/39/1073340039.db2.gz RZHCZVWFCYLGOP-UHFFFAOYSA-N -1 0 643.332 6.387 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cccc2[N+](=O)[O-])c1 ZINC000409286661 1073342623 /nfs/dbraw/zinc/34/26/23/1073342623.db2.gz ZFEIWUPZJJIWPV-UHFFFAOYSA-N -1 0 560.522 5.877 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409286525 1073344197 /nfs/dbraw/zinc/34/41/97/1073344197.db2.gz YYXVBBRNQIEDHT-ZDUSSCGKSA-N -1 0 611.792 5.868 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Cl ZINC000409286498 1073347452 /nfs/dbraw/zinc/34/74/52/1073347452.db2.gz WJXIEVULBLVWNT-UHFFFAOYSA-N -1 0 536.293 5.735 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409286256 1073348186 /nfs/dbraw/zinc/34/81/86/1073348186.db2.gz ZNABQKITDVERAE-UHFFFAOYSA-N -1 0 606.635 6.572 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409285801 1073352427 /nfs/dbraw/zinc/35/24/27/1073352427.db2.gz XLZKRNKJORFZHH-UHFFFAOYSA-N -1 0 633.724 6.858 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2Br)cc1 ZINC000409285366 1073356875 /nfs/dbraw/zinc/35/68/75/1073356875.db2.gz WMRLKWZUNKAONF-UHFFFAOYSA-N -1 0 673.317 7.494 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409285443 1073357639 /nfs/dbraw/zinc/35/76/39/1073357639.db2.gz XCYAMYZRLOQMKP-AWEZNQCLSA-N -1 0 532.896 5.105 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409285254 1073358642 /nfs/dbraw/zinc/35/86/42/1073358642.db2.gz WZVWXYXKJPQYCP-UHFFFAOYSA-N -1 0 599.643 7.096 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409285308 1073359469 /nfs/dbraw/zinc/35/94/69/1073359469.db2.gz NGFCXXZGHBCRNQ-NSHDSACASA-N -1 0 571.653 5.432 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc(OC)c3O[C@@H](C)C(=O)[O-])cc21 ZINC000409285130 1073360927 /nfs/dbraw/zinc/36/09/27/1073360927.db2.gz VLJAOECCMUNAFP-HNNXBMFYSA-N -1 0 592.402 5.324 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br ZINC000409285040 1073363216 /nfs/dbraw/zinc/36/32/16/1073363216.db2.gz SNEIAOYQAMZKOW-UHFFFAOYSA-N -1 0 518.795 5.206 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409284705 1073365812 /nfs/dbraw/zinc/36/58/12/1073365812.db2.gz VJURHXFYAFTDBT-ZDUSSCGKSA-N -1 0 720.168 6.840 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409284594 1073367380 /nfs/dbraw/zinc/36/73/80/1073367380.db2.gz VARVXKKWYPCTOW-IBGZPJMESA-N -1 0 669.516 6.241 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409284393 1073368333 /nfs/dbraw/zinc/36/83/33/1073368333.db2.gz SUYRCSSLJRIVCV-UHFFFAOYSA-N -1 0 621.999 7.294 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409284055 1073371385 /nfs/dbraw/zinc/37/13/85/1073371385.db2.gz KNNMAZSJCXQDSD-UHFFFAOYSA-N -1 0 557.448 6.174 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409283726 1073377230 /nfs/dbraw/zinc/37/72/30/1073377230.db2.gz PSGCBBXOZRGIGB-UHFFFAOYSA-N -1 0 731.319 7.775 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409283445 1073380383 /nfs/dbraw/zinc/38/03/83/1073380383.db2.gz IZPLAGIDHAXTKT-CYBMUJFWSA-N -1 0 550.837 5.243 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409283283 1073381974 /nfs/dbraw/zinc/38/19/74/1073381974.db2.gz OWULFUXQFOABDS-UHFFFAOYSA-N -1 0 632.252 5.485 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409282993 1073385502 /nfs/dbraw/zinc/38/55/02/1073385502.db2.gz ICHDMWXRLZKWSZ-UHFFFAOYSA-N -1 0 722.228 7.366 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409282632 1073388096 /nfs/dbraw/zinc/38/80/96/1073388096.db2.gz PGTMQLJBGYHFOG-LJQANCHMSA-N -1 0 622.516 6.399 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000409282694 1073388717 /nfs/dbraw/zinc/38/87/17/1073388717.db2.gz NOIBRLVXZZQHCB-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409282700 1073389174 /nfs/dbraw/zinc/38/91/74/1073389174.db2.gz PJFGIHAGVIBDQZ-UHFFFAOYSA-N -1 0 579.407 5.524 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409282313 1073391317 /nfs/dbraw/zinc/39/13/17/1073391317.db2.gz PMYNMTDPJOXXDM-UHFFFAOYSA-N -1 0 591.664 6.672 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)cc21 ZINC000409281848 1073395682 /nfs/dbraw/zinc/39/56/82/1073395682.db2.gz MGVWJBSASNSOBM-UHFFFAOYSA-N -1 0 568.589 6.402 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409281811 1073398563 /nfs/dbraw/zinc/39/85/63/1073398563.db2.gz LZDBUBLQJNMQTA-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000409281575 1073399610 /nfs/dbraw/zinc/39/96/10/1073399610.db2.gz MZMROPXUBFKIEF-UHFFFAOYSA-N -1 0 520.383 5.442 40 30 KKEBRM C=C(C)[C@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(COC(C)=O)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253534742 291532483 /nfs/dbraw/zinc/53/24/83/291532483.db2.gz UTGRZYZMRODBMC-VLOVLYCMSA-N -1 0 514.747 6.633 40 30 biogenic,in-vitro KKEBRM CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000059249180 193893431 /nfs/dbraw/zinc/89/34/31/193893431.db2.gz ZTHLOFOTXWAZOK-IWIPYMOSSA-N -1 0 504.564 5.263 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2\S/C(=N/c3ccc(Br)c(Cl)c3)NC2=O)cc1Cl ZINC000059303006 193893833 /nfs/dbraw/zinc/89/38/33/193893833.db2.gz UMUMNLDULJRDEB-UUASQNMZSA-N -1 0 502.173 5.111 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000409382848 195516486 /nfs/dbraw/zinc/51/64/86/195516486.db2.gz RZGHRYBKXOIAQC-WPWMEQJKSA-N -1 0 551.668 5.658 40 30 KKEBRM O=C(Nc1cccc(/N=C/c2cc(Br)c([O-])c(Br)c2O)c1)c1ccc(F)cc1 ZINC000001436369 551671217 /nfs/dbraw/zinc/67/12/17/551671217.db2.gz AQMQXSYAWQRJQJ-YSURURNPSA-N -1 0 508.141 5.765 40 30 KKEBRM N#Cc1c(/N=C/c2cc(Br)cc(Br)c2[O-])oc(-c2ccccc2)c1-c1ccccc1 ZINC000003074446 552285347 /nfs/dbraw/zinc/28/53/47/552285347.db2.gz VWCCGOUAFPICFI-CCVNUDIWSA-N -1 0 522.196 7.466 40 30 KKEBRM COc1cc(Br)c(Br)c(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1O ZINC000003113609 552290032 /nfs/dbraw/zinc/29/00/32/552290032.db2.gz KOUVLUKKDHULLA-YSURURNPSA-N -1 0 534.229 6.659 40 30 KKEBRM C=CCc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)OCC)CCN(Cc2ccccc2)C3)c1[O-] ZINC000011613941 553339251 /nfs/dbraw/zinc/33/92/51/553339251.db2.gz PFYMPXPHFLMRNK-RWPZCVJISA-N -1 0 505.596 5.576 40 30 KKEBRM CCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 ZINC000012601059 553401889 /nfs/dbraw/zinc/40/18/89/553401889.db2.gz ICZGDNVSNYSVPT-PCLIKHOPSA-N -1 0 502.980 5.674 40 30 KKEBRM COc1ccccc1-c1nc2cc(/N=C/c3cc(Br)cc(Br)c3[O-])ccc2o1 ZINC000016248166 553557687 /nfs/dbraw/zinc/55/76/87/553557687.db2.gz IGHKEXCZTWUKEW-BHGWPJFGSA-N -1 0 502.162 6.485 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3c4ccccc4nc4cc(Cl)ccc34)cc2)nn1 ZINC000017175421 553589889 /nfs/dbraw/zinc/58/98/89/553589889.db2.gz DHCJMPOIMWQZIU-JFLMPSFJSA-N -1 0 503.971 5.391 40 30 KKEBRM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@H]21 ZINC000070686705 553605572 /nfs/dbraw/zinc/60/55/72/553605572.db2.gz SEOJRLKLAQEBSW-JVRFNWPSSA-N -1 0 631.898 7.386 40 30 KKEBRM O=C([O-])C[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000020076983 553676627 /nfs/dbraw/zinc/67/66/27/553676627.db2.gz GDYRNNJTXZQUSG-CYFREDJKSA-N -1 0 510.373 5.830 40 30 KKEBRM Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(N=CC(F)(F)F)NCCC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])OC(C)(C)C2 ZINC000097950056 553803430 /nfs/dbraw/zinc/80/34/30/553803430.db2.gz JKZRKYJXBIGOTP-LJAQVGFWSA-N -1 0 730.806 5.884 40 30 KKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1[O-] ZINC000032114753 553864153 /nfs/dbraw/zinc/86/41/53/553864153.db2.gz RKCOANKZCULJNX-ZNLRHDTNSA-N -1 0 508.662 6.553 40 30 KKEBRM COc1cc(Cl)c(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000033347965 553922121 /nfs/dbraw/zinc/92/21/21/553922121.db2.gz HJOUILIFUHFNSR-QDJMWYJCSA-N -1 0 508.983 5.860 40 30 KKEBRM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000033353221 553923863 /nfs/dbraw/zinc/92/38/63/553923863.db2.gz ODYZFSATVCVFGX-JLPGSUDCSA-N -1 0 598.118 6.288 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Cl)c(Cl)c1 ZINC000033624842 553964918 /nfs/dbraw/zinc/96/49/18/553964918.db2.gz VFHWUASUOXYMCO-CFRMEGHHSA-N -1 0 509.371 5.547 40 30 KKEBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000033649313 553966020 /nfs/dbraw/zinc/96/60/20/553966020.db2.gz OPDVVOGVILDGDY-LPYMAVHISA-N -1 0 501.926 5.696 40 30 KKEBRM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000097980702 553990587 /nfs/dbraw/zinc/99/05/87/553990587.db2.gz MSGARHUDLMEHOG-ZVYJFFFOSA-N -1 0 526.018 5.758 40 30 KKEBRM CCCCCCCCCCCCCCCCSc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000098001438 554052524 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ZINC000100042003 554192686 /nfs/dbraw/zinc/19/26/86/554192686.db2.gz ZSUGUSQDRVIJRM-UHFFFAOYSA-N -1 0 596.233 6.847 40 30 KKEBRM C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000100054509 554195695 /nfs/dbraw/zinc/19/56/95/554195695.db2.gz OAJWLGNKRHAQPS-ODLFYWEKSA-N -1 0 570.237 5.592 40 30 KKEBRM Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cc(Br)cc(Br)c3[O-])c2-c2ccccc2)cc1 ZINC000100136927 554227035 /nfs/dbraw/zinc/22/70/35/554227035.db2.gz YBBZLXAELZGGNN-HNSNBQBZSA-N -1 0 586.327 9.101 40 30 KKEBRM COC(=O)Cn1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000100236921 554258920 /nfs/dbraw/zinc/25/89/20/554258920.db2.gz QODHFZIUIDDOLL-JOSNVNMNSA-N -1 0 525.586 5.317 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000100313141 554301848 /nfs/dbraw/zinc/30/18/48/554301848.db2.gz OTWVSSNWETUDIN-UHFFFAOYSA-N -1 0 546.458 5.284 40 30 KKEBRM O=C(C1=C([O-])C2C(=N1)Oc1c3ccccc3oc(=O)c1[C@@H]2c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000100351064 554331150 /nfs/dbraw/zinc/33/11/50/554331150.db2.gz VUKNQMRCYLBZAD-KNQAVFIVSA-N -1 0 593.227 5.478 40 30 KKEBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1C#N ZINC000059135888 554381994 /nfs/dbraw/zinc/38/19/94/554381994.db2.gz ALWPLELAWKZOAD-DEDYPNTBSA-N -1 0 501.539 5.347 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059136343 554382668 /nfs/dbraw/zinc/38/26/68/554382668.db2.gz UKCBTMFFIFXSIF-RCCKNPSSSA-N -1 0 517.538 5.713 40 30 KKEBRM O=C([O-])c1cc(/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)ccc1Cl ZINC000100441884 554393674 /nfs/dbraw/zinc/39/36/74/554393674.db2.gz QWAYPRNACUCKEX-BIZUNTBRSA-N -1 0 521.960 7.822 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474786 554396770 /nfs/dbraw/zinc/39/67/70/554396770.db2.gz AXFFJTCZSUTKOF-FOKLQQMPSA-N -1 0 509.525 5.300 40 30 KKEBRM Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2)c1 ZINC000100507126 554408145 /nfs/dbraw/zinc/40/81/45/554408145.db2.gz CZUHSUURCFIISI-WYMPLXKRSA-N -1 0 582.179 5.913 40 30 KKEBRM CCCCCCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000059664027 554421755 /nfs/dbraw/zinc/42/17/55/554421755.db2.gz PAIMTNHUSYVYPB-FEZSWGLMSA-N -1 0 500.123 9.649 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100928325 554525380 /nfs/dbraw/zinc/52/53/80/554525380.db2.gz RXSNBBMISPEQQF-XXCIOWNUSA-N -1 0 543.428 6.513 40 30 KKEBRM COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4ccccc4s3)c([O-])c2)c1O ZINC000100929907 554526485 /nfs/dbraw/zinc/52/64/85/554526485.db2.gz YOMUTHDBFOWIRY-YSURURNPSA-N -1 0 534.229 6.659 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000100935619 554529527 /nfs/dbraw/zinc/52/95/27/554529527.db2.gz MBJVFEZCVNWSBB-UTVAHVDMSA-N -1 0 602.370 8.545 40 30 KKEBRM CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100940317 554532278 /nfs/dbraw/zinc/53/22/78/554532278.db2.gz ZPMPAOWRPCBXBV-XSOFJNDSSA-N -1 0 536.440 6.928 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000101014589 554558955 /nfs/dbraw/zinc/55/89/55/554558955.db2.gz OMCBEQNSKBXSFJ-AEPTXUNZSA-N -1 0 527.708 6.332 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000101014591 554558983 /nfs/dbraw/zinc/55/89/83/554558983.db2.gz OMCBEQNSKBXSFJ-UTDQILSNSA-N -1 0 527.708 6.332 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OCC ZINC000101015287 554560007 /nfs/dbraw/zinc/56/00/07/554560007.db2.gz RUOMYQRXMAAJIS-UQQRSYNHSA-N -1 0 536.716 5.133 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Br)c([O-])c(Br)c3O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000101018698 554561242 /nfs/dbraw/zinc/56/12/42/554561242.db2.gz BDVCIVYJGZQJDX-JZRXHDQVSA-N -1 0 602.348 7.665 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000101513073 554793156 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571362348 /nfs/dbraw/zinc/36/23/48/571362348.db2.gz IESILVRBZMDIDH-SRZZPIQSSA-N -1 0 580.424 5.908 40 30 KKEBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000103842974 571362678 /nfs/dbraw/zinc/36/26/78/571362678.db2.gz IXAIKUGORXFAIM-LPYMAVHISA-N -1 0 590.430 5.364 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103844693 571362960 /nfs/dbraw/zinc/36/29/60/571362960.db2.gz MGCXVWAPSKLLNJ-YZSQISJMSA-N -1 0 615.639 5.765 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000103846528 571363396 /nfs/dbraw/zinc/36/33/96/571363396.db2.gz YCKWINLLJMVQQY-WCMJOSRZSA-N -1 0 557.650 6.271 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000103849408 571364214 /nfs/dbraw/zinc/36/42/14/571364214.db2.gz UTBFXTQMCGVSMD-DJKKODMXSA-N -1 0 599.210 5.468 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000103852847 571365589 /nfs/dbraw/zinc/36/55/89/571365589.db2.gz RHIZGZKYVFWQQC-RCCKNPSSSA-N -1 0 551.437 5.727 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103852893 571365591 /nfs/dbraw/zinc/36/55/91/571365591.db2.gz OVGNGCPMVWMZBN-DEDYPNTBSA-N -1 0 585.882 6.380 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000103853090 571365744 /nfs/dbraw/zinc/36/57/44/571365744.db2.gz MXVPAPOTOXTHMK-PXLXIMEGSA-N -1 0 534.584 5.502 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000103853078 571365785 /nfs/dbraw/zinc/36/57/85/571365785.db2.gz JYYSCYHUSSTYCQ-RCCKNPSSSA-N -1 0 534.584 5.502 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000103853158 571365791 /nfs/dbraw/zinc/36/57/91/571365791.db2.gz FZVFKGDZPFBTSL-NLRVBDNBSA-N -1 0 566.654 6.516 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103860205 571367459 /nfs/dbraw/zinc/36/74/59/571367459.db2.gz QXBIZXBNCUTTEV-RGVLZGJSSA-N -1 0 597.288 5.494 40 30 KKEBRM CCCCCCCCCCCCC/C=C/C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(-n2c(=O)cc(C)n2C)cc1 ZINC000104140580 571374713 /nfs/dbraw/zinc/37/47/13/571374713.db2.gz XDZUTQBXQSQVPT-ZOGILVBSSA-N -1 0 525.734 7.161 40 30 KKEBRM CCCCCCCCCCCCCCCc1c(N[C@](C)(CC(C)(C)O)[P@@H](=O)[O-])c(=O)n(C)n1C ZINC000104192275 571376374 /nfs/dbraw/zinc/37/63/74/571376374.db2.gz CYKIYANETUHEAQ-SANMLTNESA-N -1 0 501.693 6.114 40 30 KKEBRM O=C(Oc1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1)c1ccc(Cl)cc1Cl ZINC000104813130 571386323 /nfs/dbraw/zinc/38/63/23/571386323.db2.gz ZSSUXSSVEHHIDT-FJEPWZHXSA-N -1 0 519.409 7.946 40 30 KKEBRM CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(I)cc(I)c2[O-])c1 ZINC000109580345 571429549 /nfs/dbraw/zinc/42/95/49/571429549.db2.gz PLGSREWAYXUOJD-ZVBGSRNCSA-N -1 0 568.580 5.744 40 30 KKEBRM [O-]c1c(Br)cc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1Br ZINC000109953710 571430319 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/nfs/dbraw/zinc/76/01/21/1070760121.db2.gz GWYVURDKDUJADV-QGZVFWFLSA-N -1 0 751.359 6.447 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Br)c1 ZINC000409289769 1070760710 /nfs/dbraw/zinc/76/07/10/1070760710.db2.gz ICELHTJEJPLQOS-UHFFFAOYSA-N -1 0 752.213 8.257 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2OCC(=O)[O-])cc1C(C)C ZINC000409290193 1070762105 /nfs/dbraw/zinc/76/21/05/1070762105.db2.gz RHQIKYFVRGIZGU-UHFFFAOYSA-N -1 0 529.593 5.248 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409300364 1070775757 /nfs/dbraw/zinc/77/57/57/1070775757.db2.gz YPKSWGIUERMDRV-UHFFFAOYSA-N -1 0 595.453 6.869 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC000409302855 1070781938 /nfs/dbraw/zinc/78/19/38/1070781938.db2.gz LDDGMOYLAUPSKC-CHWSQXEVSA-N -1 0 581.261 5.178 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409308754 1070788527 /nfs/dbraw/zinc/78/85/27/1070788527.db2.gz YQKHMBQSKPRHDE-UHFFFAOYSA-N -1 0 604.501 6.765 40 30 KKEBRM O=C([O-])c1cccc(COc2cccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)c2)c1 ZINC000409307547 1070785373 /nfs/dbraw/zinc/78/53/73/1070785373.db2.gz VKGHCKAQIOTJIB-UHFFFAOYSA-N -1 0 543.501 6.242 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409307483 1070785467 /nfs/dbraw/zinc/78/54/67/1070785467.db2.gz VBPCIVGPKFYZJX-AWEZNQCLSA-N -1 0 641.272 6.077 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409310972 1070792316 /nfs/dbraw/zinc/79/23/16/1070792316.db2.gz XNTMUPBLOZYMRB-UONOGXRCSA-N -1 0 550.837 5.459 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@H](C)C(=O)[O-] ZINC000409321666 1070809959 /nfs/dbraw/zinc/80/99/59/1070809959.db2.gz UMZAWNYEBLXEJU-CHWSQXEVSA-N -1 0 551.235 5.169 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC000409322685 1070811588 /nfs/dbraw/zinc/81/15/88/1070811588.db2.gz MRUFRBVLTITBGN-CQSZACIVSA-N -1 0 595.288 5.397 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409323139 1070812678 /nfs/dbraw/zinc/81/26/78/1070812678.db2.gz NTTAGCNKNKQQQN-OAHLLOKOSA-N -1 0 692.202 7.357 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000409318023 1070823466 /nfs/dbraw/zinc/82/34/66/1070823466.db2.gz SNYMIBHPONQEKN-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC000409326732 1070827145 /nfs/dbraw/zinc/82/71/45/1070827145.db2.gz NKMFAGCBUKUKPF-RYUDHWBXSA-N -1 0 724.131 5.616 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409331246 1070835143 /nfs/dbraw/zinc/83/51/43/1070835143.db2.gz DMUJWENTUADEMP-GKTKDVHMSA-N -1 0 619.482 6.349 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409342521 1070850208 /nfs/dbraw/zinc/85/02/08/1070850208.db2.gz GSHFJCQZVKLVFW-OAQYLSRUSA-N -1 0 542.061 5.064 40 30 KKEBRM Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384327 1070901183 /nfs/dbraw/zinc/90/11/83/1070901183.db2.gz BECPUEDADIBWNN-MUFRIFMGSA-N -1 0 531.659 7.543 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409384594 1070901771 /nfs/dbraw/zinc/90/17/71/1070901771.db2.gz DHBCHMICUJEQQW-PMACEKPBSA-N -1 0 637.407 6.217 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409379646 1070905919 /nfs/dbraw/zinc/90/59/19/1070905919.db2.gz YXZFEFLWZUSNNJ-LFVJCYFKSA-N -1 0 547.076 6.050 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)N2Cc2ccco2)cc1 ZINC000409386245 1070908266 /nfs/dbraw/zinc/90/82/66/1070908266.db2.gz PBCZZQCQKANLDE-AGKYCXLBSA-N -1 0 587.723 7.138 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000409387336 1070908878 /nfs/dbraw/zinc/90/88/78/1070908878.db2.gz VRKXTFOSYNLNJH-RHKKEENZSA-N -1 0 650.826 8.069 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408901794 1070918149 /nfs/dbraw/zinc/91/81/49/1070918149.db2.gz CJZRMWFWAFFCQM-HYARGMPZSA-N -1 0 581.850 6.085 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408909656 1070975965 /nfs/dbraw/zinc/97/59/65/1070975965.db2.gz HYESGSCFTIUSSG-PKNUDXBSSA-N -1 0 634.536 6.652 40 30 KKEBRM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408909255 1070977183 /nfs/dbraw/zinc/97/71/83/1070977183.db2.gz FXOKKTYVMRGPFD-MSXFZWOLSA-N -1 0 500.305 5.089 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408908954 1070982168 /nfs/dbraw/zinc/98/21/68/1070982168.db2.gz BCQPVALCIRZZLP-NVHABHRXSA-N -1 0 566.417 5.086 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408907714 1070989214 /nfs/dbraw/zinc/98/92/14/1070989214.db2.gz PACKIJJSXUWIJU-JZUATIQESA-N -1 0 614.461 6.128 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408907704 1070989236 /nfs/dbraw/zinc/98/92/36/1070989236.db2.gz OXTTXRHLADFPSM-RLTFYZJDSA-N -1 0 614.461 5.610 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408917208 1070993058 /nfs/dbraw/zinc/99/30/58/1070993058.db2.gz OYEBTWYMNUQZPC-WQCVWPLISA-N -1 0 613.135 8.129 40 30 KKEBRM O=C1/C(=C/c2cc(I)c([O-])c(I)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408917117 1070994825 /nfs/dbraw/zinc/99/48/25/1070994825.db2.gz MZDYSLTUZPQGOZ-VJNSTGJUSA-N -1 0 628.229 5.999 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2F)[C@@H](C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585265442 1070996309 /nfs/dbraw/zinc/99/63/09/1070996309.db2.gz DIYUGIHDHAQPQG-SKJOVQEYSA-N -1 0 523.044 7.901 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408916315 1071001338 /nfs/dbraw/zinc/00/13/38/1071001338.db2.gz BRHCZXCFFWIHGS-CIRBIFNISA-N -1 0 678.004 8.583 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408911889 1071026812 /nfs/dbraw/zinc/02/68/12/1071026812.db2.gz KXAUCKZSPFYUJP-GQKMNLJRSA-N -1 0 533.444 5.498 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408911440 1071060823 /nfs/dbraw/zinc/06/08/23/1071060823.db2.gz NIHUZPYJRHMMIU-WDHOPVFISA-N -1 0 581.488 6.737 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)N2C2CCCCC2)cc1 ZINC000408910894 1071065294 /nfs/dbraw/zinc/06/52/94/1071065294.db2.gz LUQVIGHSDLTWAI-VOYPSTMSSA-N -1 0 644.316 6.847 40 30 KKEBRM C=CCOc1cc(Br)c(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408919472 1071117088 /nfs/dbraw/zinc/11/70/88/1071117088.db2.gz YLCSZTZFEDGMPW-LGUMZPBXSA-N -1 0 593.499 6.915 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408919670 1071114799 /nfs/dbraw/zinc/11/47/99/1071114799.db2.gz ZZQFUOWNFCTIDA-SNTUWEQWSA-N -1 0 619.526 8.083 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OC(C)C ZINC000408918848 1071129440 /nfs/dbraw/zinc/12/94/40/1071129440.db2.gz PSBWVKITFYUNNX-CCWWSCKISA-N -1 0 628.488 6.589 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930717 1071157029 /nfs/dbraw/zinc/15/70/29/1071157029.db2.gz BBQSQFLFUMFXBK-OGJGDWFSSA-N -1 0 659.558 7.548 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930581 1071158212 /nfs/dbraw/zinc/15/82/12/1071158212.db2.gz ZAXPQYXWGCEIFQ-NEKJVONTSA-N -1 0 620.569 7.341 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408928788 1071180408 /nfs/dbraw/zinc/18/04/08/1071180408.db2.gz JLAKWIOPEUCIDW-BDMQEEMLSA-N -1 0 523.998 5.369 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408936898 1071205881 /nfs/dbraw/zinc/20/58/81/1071205881.db2.gz QDNDAMDEILKUGX-UPPSBMKDSA-N -1 0 704.555 7.456 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935740 1071219747 /nfs/dbraw/zinc/21/97/47/1071219747.db2.gz NMKFSGVZPQNXNU-ZLEOPLMGSA-N -1 0 590.013 7.019 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408934527 1071232322 /nfs/dbraw/zinc/23/23/22/1071232322.db2.gz LUCGDJFOOSJYCS-YSKQPDFISA-N -1 0 587.097 7.711 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC ZINC000110708220 1071242640 /nfs/dbraw/zinc/24/26/40/1071242640.db2.gz GGDFGWAFKRMQPC-HZHRSRAPSA-N -1 0 515.653 6.244 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OCC ZINC000110708303 1071242680 /nfs/dbraw/zinc/24/26/80/1071242680.db2.gz SCOGBOUYAQMEQM-COOPMVRXSA-N -1 0 577.853 8.621 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OCC ZINC000110708721 1071244002 /nfs/dbraw/zinc/24/40/02/1071244002.db2.gz KORSKBMCGIDPNK-XANMOXBJSA-N -1 0 591.880 9.010 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708835 1071244466 /nfs/dbraw/zinc/24/44/66/1071244466.db2.gz AIZCEILBCLITCZ-CXTZRUPXSA-N -1 0 527.708 7.317 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408932999 1071246840 /nfs/dbraw/zinc/24/68/40/1071246840.db2.gz GLQQHFVDXFWCLO-NFEBKBJESA-N -1 0 606.325 7.575 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408932991 1071246853 /nfs/dbraw/zinc/24/68/53/1071246853.db2.gz GIPCVKHDIOOJNF-NKHYKUCGSA-N -1 0 542.249 5.176 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932372 1071251832 /nfs/dbraw/zinc/25/18/32/1071251832.db2.gz WIHAUOIVMBNURT-KELHKHCHSA-N -1 0 647.522 7.678 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408932626 1071248804 /nfs/dbraw/zinc/24/88/04/1071248804.db2.gz YJFPLTRGJYVKNP-ICEIDMMXSA-N -1 0 599.478 6.806 40 30 KKEBRM C#CCOc1cc(Br)c(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408932107 1071254779 /nfs/dbraw/zinc/25/47/79/1071254779.db2.gz UDHZEQXXQFEARI-ZLEOPLMGSA-N -1 0 607.482 5.981 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408932144 1071254864 /nfs/dbraw/zinc/25/48/64/1071254864.db2.gz BBIZAPHRUGZYDI-GTWPMBLJSA-N -1 0 608.716 7.484 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931966 1071256014 /nfs/dbraw/zinc/25/60/14/1071256014.db2.gz AGPSYBXFPDXEBA-NFEBKBJESA-N -1 0 650.776 7.684 40 30 KKEBRM CCOC(=O)Cn1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000408943058 1071295295 /nfs/dbraw/zinc/29/52/95/1071295295.db2.gz XWXRROXAYGYHDY-CKXLJANNSA-N -1 0 569.639 5.715 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(C(=O)[O-])c4)c(OCC)c3)S2)cc1 ZINC000408952949 1071342548 /nfs/dbraw/zinc/34/25/48/1071342548.db2.gz NJKMZDLQYXMXRR-BUVRLJJBSA-N -1 0 597.487 6.415 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408950415 1071356812 /nfs/dbraw/zinc/35/68/12/1071356812.db2.gz JXURAMHPBCCLSE-DPNNOFEESA-N -1 0 695.654 8.290 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408947284 1071371510 /nfs/dbraw/zinc/37/15/10/1071371510.db2.gz BTFRCZOOWVIGKD-VTNSRFBWSA-N -1 0 647.728 7.045 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408956986 1071375260 /nfs/dbraw/zinc/37/52/60/1071375260.db2.gz ZMMYUDYLTTWPAI-VFLNYLIXSA-N -1 0 622.121 6.933 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408694172 1071389070 /nfs/dbraw/zinc/38/90/70/1071389070.db2.gz DMFMZRXJBNETAF-PXLXIMEGSA-N -1 0 509.002 5.451 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408953863 1071394000 /nfs/dbraw/zinc/39/40/00/1071394000.db2.gz QFAQCWFXQUOJOJ-KVSWJAHQSA-N -1 0 626.540 7.578 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408954529 1071389951 /nfs/dbraw/zinc/38/99/51/1071389951.db2.gz RFKVJZFNECKMSH-DPNNOFEESA-N -1 0 634.748 7.666 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000408966871 1071408549 /nfs/dbraw/zinc/40/85/49/1071408549.db2.gz QXWKZTMAJGMOTD-LPYMAVHISA-N -1 0 539.407 5.627 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965490 1071414160 /nfs/dbraw/zinc/41/41/60/1071414160.db2.gz HYKFRXNVFAHJDC-GUVGJHGXSA-N -1 0 603.700 7.300 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408963530 1071423081 /nfs/dbraw/zinc/42/30/81/1071423081.db2.gz OGTWYGLKXZZYGL-BUVRLJJBSA-N -1 0 583.493 7.289 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000408967833 1071464302 /nfs/dbraw/zinc/46/43/02/1071464302.db2.gz VDDYDZRUGZSARU-CGHUYSHTSA-N -1 0 633.726 7.309 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408985767 1071496241 /nfs/dbraw/zinc/49/62/41/1071496241.db2.gz AUISTQXPCQLYRC-QRQIAZFYSA-N -1 0 581.068 7.174 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408985229 1071501807 /nfs/dbraw/zinc/50/18/07/1071501807.db2.gz AITAIQGOKBBNAF-FBHDLOMBSA-N -1 0 609.860 6.114 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408982574 1071524417 /nfs/dbraw/zinc/52/44/17/1071524417.db2.gz IADCSHAUAYDRSD-FBHDLOMBSA-N -1 0 594.849 5.927 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408982359 1071527288 /nfs/dbraw/zinc/52/72/88/1071527288.db2.gz GPRABEKPTPQGOC-NHDPSOOVSA-N -1 0 656.274 5.733 40 30 KKEBRM N#Cc1c(/N=C/c2cc(Br)c([O-])cc2O)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000408719782 1071546083 /nfs/dbraw/zinc/54/60/83/1071546083.db2.gz RYRYTQZKDMBLBR-VYVUJPJFSA-N -1 0 547.317 5.867 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2O)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408720687 1071542799 /nfs/dbraw/zinc/54/27/99/1071542799.db2.gz CFYWKJZUBRXLMI-AFECXINISA-N -1 0 546.240 6.431 40 30 KKEBRM Cc1ccc(-c2nc(N=NCc3cc(Cl)cc(Cl)c3[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408977585 1071550268 /nfs/dbraw/zinc/55/02/68/1071550268.db2.gz WSNSZWFGALKIMY-KKMKTNMSSA-N -1 0 513.406 7.461 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)cc2I)cc1 ZINC000408992750 1071571069 /nfs/dbraw/zinc/57/10/69/1071571069.db2.gz BMJXFSBIKYAUOG-JAIQZWGSSA-N -1 0 700.267 6.204 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)[O-])c3)NC2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408991867 1071578029 /nfs/dbraw/zinc/57/80/29/1071578029.db2.gz RHHBPDAOXBENNC-ROTLSHHCSA-N -1 0 569.035 5.925 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408729484 1071592725 /nfs/dbraw/zinc/59/27/25/1071592725.db2.gz GDTOABCPIRRYDD-INJWXVQMSA-N -1 0 653.927 7.003 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408728165 1071597441 /nfs/dbraw/zinc/59/74/41/1071597441.db2.gz IJQXDBAIOOJKSA-IPPBACCNSA-N -1 0 548.349 6.629 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408988514 1071605214 /nfs/dbraw/zinc/60/52/14/1071605214.db2.gz DRJJHDSPELTHKE-WGARJPEWSA-N -1 0 688.168 7.851 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408987344 1071613946 /nfs/dbraw/zinc/61/39/46/1071613946.db2.gz ODFFLSYKTYHUAI-VGOFMYFVSA-N -1 0 554.622 5.405 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408987348 1071614008 /nfs/dbraw/zinc/61/40/08/1071614008.db2.gz OFNZNFOQDLLBAL-XYGWBWBKSA-N -1 0 575.459 5.994 40 30 KKEBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)[N-]C1=S ZINC000408743747 1071617297 /nfs/dbraw/zinc/61/72/97/1071617297.db2.gz XWPSMAWIJFKPPR-RGVLZGJSSA-N -1 0 611.315 5.802 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000408741245 1071626246 /nfs/dbraw/zinc/62/62/46/1071626246.db2.gz KWFCQNMBMPPRKZ-AUWJEWJLSA-N -1 0 601.114 5.370 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\SC(=Nc4ccc(Cl)c(Cl)c4)NC3=O)cc2I)cc1 ZINC000409002140 1071641821 /nfs/dbraw/zinc/64/18/21/1071641821.db2.gz YDIYZLHZDWCDIK-UKWGHVSLSA-N -1 0 751.167 7.371 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408755632 1071644454 /nfs/dbraw/zinc/64/44/54/1071644454.db2.gz RFYYYSAARMYSJH-KEBDBYFISA-N -1 0 580.822 5.537 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)o2)c1 ZINC000408754499 1071650492 /nfs/dbraw/zinc/65/04/92/1071650492.db2.gz KNVBQLASWNEHDV-VHOCVAHHSA-N -1 0 529.017 6.971 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408754485 1071652385 /nfs/dbraw/zinc/65/23/85/1071652385.db2.gz KMFKUNCNIIJQSL-SRZZPIQSSA-N -1 0 639.300 6.036 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000408999257 1071655785 /nfs/dbraw/zinc/65/57/85/1071655785.db2.gz UGSVJYGHFIPYES-JLPGSUDCSA-N -1 0 580.058 6.560 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408753433 1071658679 /nfs/dbraw/zinc/65/86/79/1071658679.db2.gz MSVOGQKIGXDMPM-OYKKKHCWSA-N -1 0 581.488 6.633 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)cc2I)cc1 ZINC000408997626 1071662822 /nfs/dbraw/zinc/66/28/22/1071662822.db2.gz HNDWXRJZLLKWOR-NDENLUEZSA-N -1 0 682.277 6.065 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408753597 1071657454 /nfs/dbraw/zinc/65/74/54/1071657454.db2.gz GSFQAOLFOWLHSJ-UNOMPAQXSA-N -1 0 501.402 5.095 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408752262 1071666100 /nfs/dbraw/zinc/66/61/00/1071666100.db2.gz HEPROQNASGKMPW-LPYMAVHISA-N -1 0 644.747 7.147 40 30 KKEBRM CCN1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409013694 1071678828 /nfs/dbraw/zinc/67/88/28/1071678828.db2.gz NIXXJHCYVLJXPB-XNDRKGEOSA-N -1 0 517.836 5.608 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409012789 1071682521 /nfs/dbraw/zinc/68/25/21/1071682521.db2.gz KRPLJEDVNDPUFY-QVEFAUGESA-N -1 0 552.233 6.948 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1Br ZINC000408748380 1071692157 /nfs/dbraw/zinc/69/21/57/1071692157.db2.gz CUNSJTRXUZAYSH-VGOFMYFVSA-N -1 0 591.075 5.329 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408748519 1071690436 /nfs/dbraw/zinc/69/04/36/1071690436.db2.gz DKYLGRZWRYHGIG-FRKPEAEDSA-N -1 0 546.226 5.510 40 30 KKEBRM O=C([O-])COc1cc(Br)ccc1/C=C1/SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O ZINC000408748518 1071690462 /nfs/dbraw/zinc/69/04/62/1071690462.db2.gz DKIHIQRNSUYYKD-PJQLUOCWSA-N -1 0 502.173 5.111 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408760451 1071697409 /nfs/dbraw/zinc/69/74/09/1071697409.db2.gz YVYFRDQVNKYUPR-CIAFOILYSA-N -1 0 630.322 7.047 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408759814 1071700057 /nfs/dbraw/zinc/70/00/57/1071700057.db2.gz MGQWQHHEIPAVHV-IAEVOFLSSA-N -1 0 550.636 6.777 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)cc3Br)S2)cc1 ZINC000408758636 1071704648 /nfs/dbraw/zinc/70/46/48/1071704648.db2.gz OGSAALUVJSZPNQ-CFRMEGHHSA-N -1 0 567.461 6.189 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1CC=C ZINC000408766340 1071713979 /nfs/dbraw/zinc/71/39/79/1071713979.db2.gz ULEJXMJORXQLBS-LDADJPATSA-N -1 0 560.242 5.480 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408765750 1071722309 /nfs/dbraw/zinc/72/23/09/1071722309.db2.gz XQJAPZNBPRMXEN-ONUIUJJFSA-N -1 0 528.630 6.155 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408765264 1071725072 /nfs/dbraw/zinc/72/50/72/1071725072.db2.gz KYMHZEKIECHLBR-LIVYJTHESA-N -1 0 564.663 6.645 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408764944 1071726043 /nfs/dbraw/zinc/72/60/43/1071726043.db2.gz UKXWTETVEDRMAX-XQNSMLJCSA-N -1 0 531.406 5.731 40 30 KKEBRM Cc1cccc(NC(=O)c2c(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc3c2CCCCCC3)c1C ZINC000409020169 1071727818 /nfs/dbraw/zinc/72/78/18/1071727818.db2.gz ZQEAUMXVNVKARB-KCSSXMTESA-N -1 0 526.658 7.985 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000409018587 1071732621 /nfs/dbraw/zinc/73/26/21/1071732621.db2.gz HUBNGXGLGZDOEY-AJRNFVRKSA-N -1 0 509.628 5.161 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=Nc4ccc(Br)cc4)NC3=O)o2)c1 ZINC000408763095 1071734085 /nfs/dbraw/zinc/73/40/85/1071734085.db2.gz NLRMHBIBBRBTKY-ZDLGFXPLSA-N -1 0 503.761 5.952 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408761380 1071739866 /nfs/dbraw/zinc/73/98/66/1071739866.db2.gz JFRWWPQWAJLZBS-BUVRLJJBSA-N -1 0 593.449 6.269 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408777220 1071746045 /nfs/dbraw/zinc/74/60/45/1071746045.db2.gz WQGAYLXSRKFLCJ-YDZHTSKRSA-N -1 0 551.426 6.284 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409281287 1071752620 /nfs/dbraw/zinc/75/26/20/1071752620.db2.gz MFFDDEMHYLKQLV-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409281184 1071756186 /nfs/dbraw/zinc/75/61/86/1071756186.db2.gz CQSNHRQMWFJXDJ-OAHLLOKOSA-N -1 0 562.376 5.315 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408774278 1071762268 /nfs/dbraw/zinc/76/22/68/1071762268.db2.gz UKAOMTFPQWGXAZ-OEAKJJBVSA-N -1 0 565.851 6.385 40 30 KKEBRM C[C@@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409280787 1071763456 /nfs/dbraw/zinc/76/34/56/1071763456.db2.gz KVYXNGQJSKUSAN-MRXNPFEDSA-N -1 0 575.419 5.372 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2Br)cc1C(C)C ZINC000409280803 1071764084 /nfs/dbraw/zinc/76/40/84/1071764084.db2.gz KZCMKAPQJMHAQQ-UHFFFAOYSA-N -1 0 749.456 8.197 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409280582 1071764990 /nfs/dbraw/zinc/76/49/90/1071764990.db2.gz LNDQFKCGUQJXSG-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409280636 1071766363 /nfs/dbraw/zinc/76/63/63/1071766363.db2.gz LSGHGGLRLQILEQ-ZDUSSCGKSA-N -1 0 675.717 6.731 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)[O-] ZINC000409280263 1071770005 /nfs/dbraw/zinc/77/00/05/1071770005.db2.gz JWYYIXVAZASSLL-UHFFFAOYSA-N -1 0 576.325 5.199 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408772764 1071771230 /nfs/dbraw/zinc/77/12/30/1071771230.db2.gz FODCVFLQHZAPDH-NTUHNPAUSA-N -1 0 606.722 5.203 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)[O-] ZINC000409280462 1071768418 /nfs/dbraw/zinc/76/84/18/1071768418.db2.gz KHIKHKOLUCTISX-UHFFFAOYSA-N -1 0 596.821 5.970 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000408772411 1071774478 /nfs/dbraw/zinc/77/44/78/1071774478.db2.gz LLOBTMDRZXCQFG-AJEJVPQOSA-N -1 0 618.715 7.078 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409279983 1071775232 /nfs/dbraw/zinc/77/52/32/1071775232.db2.gz AHRXJCVECIRJOO-UHFFFAOYSA-N -1 0 590.474 6.008 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1C ZINC000408772100 1071776775 /nfs/dbraw/zinc/77/67/75/1071776775.db2.gz CRZXPPXUKGDIPB-QRVIBDJDSA-N -1 0 584.435 6.077 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408771529 1071780800 /nfs/dbraw/zinc/78/08/00/1071780800.db2.gz HRNSXAPNFKRMNS-FSJBWODESA-N -1 0 589.442 5.769 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@H](C)C(=O)[O-])c(I)c3)cc21 ZINC000409279384 1071785078 /nfs/dbraw/zinc/78/50/78/1071785078.db2.gz HGPSDHMIMNFJFM-OAHLLOKOSA-N -1 0 609.376 5.157 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409279219 1071787287 /nfs/dbraw/zinc/78/72/87/1071787287.db2.gz HXMPSTLJLJQHGU-AWEZNQCLSA-N -1 0 607.299 5.712 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408782265 1071811302 /nfs/dbraw/zinc/81/13/02/1071811302.db2.gz GOAGTWWXAVFHDD-ZVHZXABRSA-N -1 0 590.430 5.948 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4ccc(Br)c(Cl)c4)NC3=O)cc2I)cc1 ZINC000408782299 1071812013 /nfs/dbraw/zinc/81/20/13/1071812013.db2.gz HDOUPCXZXXDSCX-FBHDLOMBSA-N -1 0 669.722 6.876 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408781497 1071818749 /nfs/dbraw/zinc/81/87/49/1071818749.db2.gz BAQNKVBAGJCWIE-BUVRLJJBSA-N -1 0 561.978 5.621 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)c(C)c1 ZINC000408781992 1071813860 /nfs/dbraw/zinc/81/38/60/1071813860.db2.gz FYTUAPXJSUDGFA-QRVIBDJDSA-N -1 0 584.435 6.077 40 30 KKEBRM C[C@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409293969 1071823060 /nfs/dbraw/zinc/82/30/60/1071823060.db2.gz MQCWYOWASHAZLC-AWEZNQCLSA-N -1 0 515.875 5.470 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408780583 1071823615 /nfs/dbraw/zinc/82/36/15/1071823615.db2.gz FMKDYVNCIFRLTC-LPYMAVHISA-N -1 0 630.720 6.839 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408779895 1071826261 /nfs/dbraw/zinc/82/62/61/1071826261.db2.gz NATOVHGNXBLBAG-HZHRSRAPSA-N -1 0 500.526 5.117 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408779824 1071827596 /nfs/dbraw/zinc/82/75/96/1071827596.db2.gz LNPSPJJDVLLCLG-NZRLAXAZSA-N -1 0 579.516 6.617 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409293743 1071830132 /nfs/dbraw/zinc/83/01/32/1071830132.db2.gz ZMUGNGQZTNISRO-UHFFFAOYSA-N -1 0 654.473 6.749 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409293527 1071831832 /nfs/dbraw/zinc/83/18/32/1071831832.db2.gz KPSNJJLMSNBVRJ-SFHVURJKSA-N -1 0 534.012 5.891 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408778940 1071833189 /nfs/dbraw/zinc/83/31/89/1071833189.db2.gz ZVAAYTZYPIOVGO-KEBDBYFISA-N -1 0 689.247 5.321 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408778601 1071835370 /nfs/dbraw/zinc/83/53/70/1071835370.db2.gz IFNQNZQCYHSTKI-OEAKJJBVSA-N -1 0 521.400 6.276 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409045816 1071837749 /nfs/dbraw/zinc/83/77/49/1071837749.db2.gz IEVTXLUFFYFRKJ-UHFFFAOYSA-N -1 0 605.312 6.833 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408786567 1071849952 /nfs/dbraw/zinc/84/99/52/1071849952.db2.gz KVHWWRZANKMDLF-NDZAJKAJSA-N -1 0 560.650 6.829 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408786305 1071852526 /nfs/dbraw/zinc/85/25/26/1071852526.db2.gz OYAUPRNJMUFQFU-MFKUBSTISA-N -1 0 575.459 6.048 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409042716 1071865458 /nfs/dbraw/zinc/86/54/58/1071865458.db2.gz CHXRFLOEWTVLAN-UHFFFAOYSA-N -1 0 500.591 6.364 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409042414 1071869126 /nfs/dbraw/zinc/86/91/26/1071869126.db2.gz MVNYWDVCVZZQIX-UHFFFAOYSA-N -1 0 689.416 7.700 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409041974 1071874072 /nfs/dbraw/zinc/87/40/72/1071874072.db2.gz LPOQYKKEQKSEKP-UHFFFAOYSA-N -1 0 541.688 7.059 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408795657 1071882310 /nfs/dbraw/zinc/88/23/10/1071882310.db2.gz MCLZLJZHZDZZQY-JFDXAFBFSA-N -1 0 510.413 5.789 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291135 1071882998 /nfs/dbraw/zinc/88/29/98/1071882998.db2.gz WMNMQDIUAPZMQT-UHFFFAOYSA-N -1 0 590.474 6.179 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C(C)C ZINC000409291163 1071883507 /nfs/dbraw/zinc/88/35/07/1071883507.db2.gz CDUSJXWWWNSUIF-UHFFFAOYSA-N -1 0 562.670 6.882 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796777 1071878688 /nfs/dbraw/zinc/87/86/88/1071878688.db2.gz PXIVAADDFHSIQX-DIENZIEHSA-N -1 0 714.294 6.546 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)cc21 ZINC000409290908 1071884207 /nfs/dbraw/zinc/88/42/07/1071884207.db2.gz NWLRPQMYQOKODY-UHFFFAOYSA-N -1 0 627.245 5.689 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408796513 1071879275 /nfs/dbraw/zinc/87/92/75/1071879275.db2.gz PEJDSXKWFXTQHB-LUAXBZEPSA-N -1 0 600.434 5.811 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409291048 1071881060 /nfs/dbraw/zinc/88/10/60/1071881060.db2.gz OIZCNUUFSDFKAF-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408794413 1071885232 /nfs/dbraw/zinc/88/52/32/1071885232.db2.gz SFMNNYPABZEAHQ-AURYFDHZSA-N -1 0 581.488 6.667 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408793329 1071886533 /nfs/dbraw/zinc/88/65/33/1071886533.db2.gz DWKCKZYQXXIGDW-LGUMZPBXSA-N -1 0 529.017 7.004 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408793076 1071887023 /nfs/dbraw/zinc/88/70/23/1071887023.db2.gz CXDCBVRZQMAJGN-CWCMFYRQSA-N -1 0 746.364 7.560 40 30 KKEBRM Cc1cccc(COc2ccc(Br)cc2/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c1 ZINC000408793289 1071887119 /nfs/dbraw/zinc/88/71/19/1071887119.db2.gz OESUEEPYGHEYHB-LUAXBZEPSA-N -1 0 537.435 6.269 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409290786 1071887166 /nfs/dbraw/zinc/88/71/66/1071887166.db2.gz AXMSKAZBAXQNNF-SFHVURJKSA-N -1 0 671.386 7.153 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792783 1071887774 /nfs/dbraw/zinc/88/77/74/1071887774.db2.gz CFNGCVWZGDKJMC-SILRWXEESA-N -1 0 541.398 6.099 40 30 KKEBRM CCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409040026 1071894302 /nfs/dbraw/zinc/89/43/02/1071894302.db2.gz FGINPLSXDMLGNG-UHFFFAOYSA-N -1 0 520.453 6.162 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000408789853 1071894411 /nfs/dbraw/zinc/89/44/11/1071894411.db2.gz NYWCUGLVAOYHKX-MLPAPPSSSA-N -1 0 536.618 5.764 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409290395 1071896555 /nfs/dbraw/zinc/89/65/55/1071896555.db2.gz LPNHCGTTXKCADF-UHFFFAOYSA-N -1 0 541.604 5.621 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408788404 1071898377 /nfs/dbraw/zinc/89/83/77/1071898377.db2.gz FIZKHCKOZWQPBP-BUVRLJJBSA-N -1 0 534.971 5.852 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)[O-] ZINC000409289933 1071904338 /nfs/dbraw/zinc/90/43/38/1071904338.db2.gz PUVVNLIOEGYVOE-UHFFFAOYSA-N -1 0 688.272 5.921 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000408787692 1071900154 /nfs/dbraw/zinc/90/01/54/1071900154.db2.gz DXRRJQZSDGVBFQ-DEOSSOPVSA-N -1 0 545.975 5.367 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000408787693 1071900800 /nfs/dbraw/zinc/90/08/00/1071900800.db2.gz DXRRJQZSDGVBFQ-XMMPIXPASA-N -1 0 545.975 5.367 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409289877 1071903016 /nfs/dbraw/zinc/90/30/16/1071903016.db2.gz ISUZGYDJMWSXSI-HNNXBMFYSA-N -1 0 517.925 5.206 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn(CC(=O)[O-])c3ccccc23)cc1C(C)C ZINC000409289863 1071907276 /nfs/dbraw/zinc/90/72/76/1071907276.db2.gz IMXVQNYVNDNOTP-UHFFFAOYSA-N -1 0 508.578 5.425 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2)cc1 ZINC000409289626 1071908519 /nfs/dbraw/zinc/90/85/19/1071908519.db2.gz HIXDBOCYKDNXKS-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM CN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409057077 1071912331 /nfs/dbraw/zinc/91/23/31/1071912331.db2.gz TWAMVPJEBWCIFE-VNKJZNQASA-N -1 0 529.017 7.004 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289148 1071915675 /nfs/dbraw/zinc/91/56/75/1071915675.db2.gz LARUATCEPKATAH-UHFFFAOYSA-N -1 0 627.619 7.369 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289138 1071920213 /nfs/dbraw/zinc/92/02/13/1071920213.db2.gz KZTMQOBJUFOPRT-UHFFFAOYSA-N -1 0 601.251 5.398 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Br)c1 ZINC000409288858 1071920228 /nfs/dbraw/zinc/92/02/28/1071920228.db2.gz CFHPEXRNELTZFS-UHFFFAOYSA-N -1 0 673.317 7.494 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289194 1071916606 /nfs/dbraw/zinc/91/66/06/1071916606.db2.gz LHHFZZCMVMIJRO-UHFFFAOYSA-N -1 0 649.723 6.441 40 30 KKEBRM O=C([O-])COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1 ZINC000409289047 1071918751 /nfs/dbraw/zinc/91/87/51/1071918751.db2.gz KTBZXIAGYNIGCD-UHFFFAOYSA-N -1 0 552.768 5.571 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409289071 1071919298 /nfs/dbraw/zinc/91/92/98/1071919298.db2.gz DPHDSILOINCHKE-UHFFFAOYSA-N -1 0 635.717 7.071 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288941 1071921821 /nfs/dbraw/zinc/92/18/21/1071921821.db2.gz CYRSHEJFDJRVPW-UHFFFAOYSA-N -1 0 666.450 7.403 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409288287 1071930532 /nfs/dbraw/zinc/93/05/32/1071930532.db2.gz FSQBVUJOTCDOBY-INIZCTEOSA-N -1 0 589.430 5.182 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N(C)C)cc3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409288346 1071931693 /nfs/dbraw/zinc/93/16/93/1071931693.db2.gz GILWDBGAPCXVSA-UHFFFAOYSA-N -1 0 588.620 6.044 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br)C(=O)[O-] ZINC000409288152 1071932688 /nfs/dbraw/zinc/93/26/88/1071932688.db2.gz DGQTZKNWLADZBC-AWEZNQCLSA-N -1 0 566.795 5.960 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409287689 1071939305 /nfs/dbraw/zinc/93/93/05/1071939305.db2.gz YBDOCWYLDXVYCZ-AWEZNQCLSA-N -1 0 562.848 5.603 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Cl)C(=O)[O-] ZINC000409287409 1071944221 /nfs/dbraw/zinc/94/42/21/1071944221.db2.gz UZAQRZZHPUPONM-CYBMUJFWSA-N -1 0 550.320 6.123 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn([C@H](C)C(=O)[O-])c3ccccc23)cc1C(C)C ZINC000409287315 1071946279 /nfs/dbraw/zinc/94/62/79/1071946279.db2.gz TXOVTPSOBODQKW-OAQYLSRUSA-N -1 0 536.632 6.377 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn([C@@H](C)C(=O)[O-])c3ccccc23)cc1C(C)C ZINC000409287314 1071946399 /nfs/dbraw/zinc/94/63/99/1071946399.db2.gz TXOVTPSOBODQKW-NRFANRHFSA-N -1 0 536.632 6.377 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409297203 1071948383 /nfs/dbraw/zinc/94/83/83/1071948383.db2.gz KOBTYIPQKPHWJS-UHFFFAOYSA-N -1 0 568.457 6.546 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409297048 1071950301 /nfs/dbraw/zinc/95/03/01/1071950301.db2.gz VRCQWYMOHMZSFV-UHFFFAOYSA-N -1 0 573.527 6.250 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409296605 1071957939 /nfs/dbraw/zinc/95/79/39/1071957939.db2.gz IPTVBOTZLBVGQL-UHFFFAOYSA-N -1 0 550.409 5.280 40 30 KKEBRM CCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409050473 1071956203 /nfs/dbraw/zinc/95/62/03/1071956203.db2.gz WFIXGWSDYOCLPH-UHFFFAOYSA-N -1 0 609.355 6.381 40 30 KKEBRM C#CCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409049825 1071962768 /nfs/dbraw/zinc/96/27/68/1071962768.db2.gz XVIULGVCXZPMEK-UHFFFAOYSA-N -1 0 619.350 5.994 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409296007 1071967120 /nfs/dbraw/zinc/96/71/20/1071967120.db2.gz GQJTXFGKJPRTQM-UHFFFAOYSA-N -1 0 571.225 5.389 40 30 KKEBRM C[C@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409296015 1071967217 /nfs/dbraw/zinc/96/72/17/1071967217.db2.gz GSPJFWVFMCDLJU-AWEZNQCLSA-N -1 0 522.344 5.851 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409049126 1071965492 /nfs/dbraw/zinc/96/54/92/1071965492.db2.gz UWRXVPLDAPXNGT-UHFFFAOYSA-N -1 0 527.661 6.669 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)cc1C(C)C ZINC000409295870 1071969581 /nfs/dbraw/zinc/96/95/81/1071969581.db2.gz GJGCWGKZEQXORW-UHFFFAOYSA-N -1 0 535.600 6.653 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-] ZINC000409295880 1071969586 /nfs/dbraw/zinc/96/95/86/1071969586.db2.gz RVDLFDSDAXYBHH-NSHDSACASA-N -1 0 541.229 5.497 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409048588 1071969974 /nfs/dbraw/zinc/96/99/74/1071969974.db2.gz SKGKZWLFMCIVSH-FYJGNVAPSA-N -1 0 610.258 5.469 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059365 1071980384 /nfs/dbraw/zinc/98/03/84/1071980384.db2.gz WUEIKCPYILMCKF-ASCZMWPCSA-N -1 0 513.402 6.504 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059017 1071983972 /nfs/dbraw/zinc/98/39/72/1071983972.db2.gz QJPWHAMUNFXHDV-SYCUJBBPSA-N -1 0 614.461 6.201 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(I)c1OC(C)C ZINC000409057846 1071991349 /nfs/dbraw/zinc/99/13/49/1071991349.db2.gz IHQSRFZWHCSOHW-CCBCPFMQSA-N -1 0 580.444 5.799 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409058197 1071988244 /nfs/dbraw/zinc/98/82/44/1071988244.db2.gz JARGEMATHQADHO-GZFRWTSMSA-N -1 0 503.536 5.496 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409294787 1071990390 /nfs/dbraw/zinc/99/03/90/1071990390.db2.gz PGIDUEDXKQOHDD-HXUWFJFHSA-N -1 0 542.636 5.304 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409294801 1071990867 /nfs/dbraw/zinc/99/08/67/1071990867.db2.gz PHLIZZSLXVURRA-SFHVURJKSA-N -1 0 574.590 5.155 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409294417 1071994164 /nfs/dbraw/zinc/99/41/64/1071994164.db2.gz MEFRPZJOBOFKLE-UHFFFAOYSA-N -1 0 645.756 7.791 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409066436 1071994736 /nfs/dbraw/zinc/99/47/36/1071994736.db2.gz ASSRQAFWVFORNV-HYARGMPZSA-N -1 0 534.971 5.770 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409294424 1071994737 /nfs/dbraw/zinc/99/47/37/1071994737.db2.gz OPGAKCDZRDBXOV-UHFFFAOYSA-N -1 0 558.594 6.035 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066489 1071995306 /nfs/dbraw/zinc/99/53/06/1071995306.db2.gz NEOFWVOSYNWAIZ-UHFFFAOYSA-N -1 0 612.100 5.343 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409066915 1072000784 /nfs/dbraw/zinc/00/07/84/1072000784.db2.gz DHHHONVEYCGKSP-ZVHZXABRSA-N -1 0 565.453 6.674 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409294193 1072001133 /nfs/dbraw/zinc/00/11/33/1072001133.db2.gz LSBOSQPDFWXRMG-UHFFFAOYSA-N -1 0 511.578 5.612 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409066716 1072001298 /nfs/dbraw/zinc/00/12/98/1072001298.db2.gz CHAWQFKZLZYIOE-HZHRSRAPSA-N -1 0 548.998 6.160 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409066850 1072000389 /nfs/dbraw/zinc/00/03/89/1072000389.db2.gz CUGNVJJYJSXMTR-UHFFFAOYSA-N -1 0 636.583 7.440 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065689 1072007633 /nfs/dbraw/zinc/00/76/33/1072007633.db2.gz IVDUBYZDRZOJCW-HZHRSRAPSA-N -1 0 585.009 5.040 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065600 1072009274 /nfs/dbraw/zinc/00/92/74/1072009274.db2.gz HYCBBPHKULSUEL-UHFFFAOYSA-N -1 0 735.093 7.429 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409306734 1072009328 /nfs/dbraw/zinc/00/93/28/1072009328.db2.gz QRZHMEOLWUQXFD-FQEVSTJZSA-N -1 0 573.646 5.645 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066177 1072005104 /nfs/dbraw/zinc/00/51/04/1072005104.db2.gz MBIGWUVURNKAPG-UHFFFAOYSA-N -1 0 583.725 7.016 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409066024 1072005701 /nfs/dbraw/zinc/00/57/01/1072005701.db2.gz LKUDHYXBMCGMSH-UHFFFAOYSA-N -1 0 766.500 8.736 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065605 1072009646 /nfs/dbraw/zinc/00/96/46/1072009646.db2.gz HYSUQXOECOANJF-UHFFFAOYSA-N -1 0 550.051 6.449 40 30 KKEBRM 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ZINC000409301144 1072081481 /nfs/dbraw/zinc/08/14/81/1072081481.db2.gz BKGCIOVIDCRQDQ-UHFFFAOYSA-N -1 0 654.473 6.749 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409072557 1072082304 /nfs/dbraw/zinc/08/23/04/1072082304.db2.gz CRHQDIXEKULBOL-UHFFFAOYSA-N -1 0 646.589 6.921 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409072614 1072082562 /nfs/dbraw/zinc/08/25/62/1072082562.db2.gz TZBUYUUQPVNLSZ-UHFFFAOYSA-N -1 0 614.541 7.872 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccccc2Cl)c1 ZINC000409072352 1072082710 /nfs/dbraw/zinc/08/27/10/1072082710.db2.gz JTJFMCFXUNUHJL-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409072403 1072083202 /nfs/dbraw/zinc/08/32/02/1072083202.db2.gz CAEVYQFPVDPWMR-UHFFFAOYSA-N -1 0 619.339 7.223 40 30 KKEBRM 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CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c2C(=O)NCc2ccco2)C1 ZINC000409080670 1072120198 /nfs/dbraw/zinc/12/01/98/1072120198.db2.gz MFNZHIXTXQUAEP-VHMIOTPXSA-N -1 0 530.646 7.131 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409080706 1072120248 /nfs/dbraw/zinc/12/02/48/1072120248.db2.gz NTQPSBLHKLCPRJ-FMFVUSGOSA-N -1 0 631.194 8.841 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc([N+](=O)[O-])c3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409298213 1072120678 /nfs/dbraw/zinc/12/06/78/1072120678.db2.gz WBYPNUZZFQBXQX-UHFFFAOYSA-N -1 0 590.548 5.886 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)[O-] ZINC000409298294 1072122082 /nfs/dbraw/zinc/12/20/82/1072122082.db2.gz ODLQOCCQDMDRFK-UHFFFAOYSA-N -1 0 637.352 5.431 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080194 1072126950 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Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409297439 1072135048 /nfs/dbraw/zinc/13/50/48/1072135048.db2.gz LCPMBCTYXSRWEG-UHFFFAOYSA-N -1 0 521.415 5.444 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409315132 1072136617 /nfs/dbraw/zinc/13/66/17/1072136617.db2.gz IKWLTAUTGFMQBX-INIZCTEOSA-N -1 0 643.332 6.603 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc(I)c1OCC(=O)[O-] ZINC000409079318 1072137344 /nfs/dbraw/zinc/13/73/44/1072137344.db2.gz JHBRTGHEYLPQNW-OMYZDDCESA-N -1 0 680.992 7.632 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409315009 1072138058 /nfs/dbraw/zinc/13/80/58/1072138058.db2.gz UHRKAIWQAXEBPF-KRWDZBQOSA-N -1 0 612.908 6.884 40 30 KKEBRM CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])S/C1=N/c1ccc(Cl)cc1 ZINC000409079185 1072138627 /nfs/dbraw/zinc/13/86/27/1072138627.db2.gz KIDMFOZENJAKHN-USFSGSQCSA-N -1 0 509.809 5.580 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)[O-])c(Br)c3)c2C(=O)NCc2ccco2)C1 ZINC000409078770 1072140813 /nfs/dbraw/zinc/14/08/13/1072140813.db2.gz CYDKTOWFFMRGDU-XHUAFICTSA-N -1 0 573.509 6.399 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC000409314558 1072141612 /nfs/dbraw/zinc/14/16/12/1072141612.db2.gz LEDRIAMLJLMQBB-UHFFFAOYSA-N -1 0 613.512 6.678 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(I)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409078218 1072146947 /nfs/dbraw/zinc/14/69/47/1072146947.db2.gz IBFPZSAYMBBZJY-YJDIGNJUSA-N -1 0 627.375 8.519 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Br)cc1 ZINC000409313342 1072153217 /nfs/dbraw/zinc/15/32/17/1072153217.db2.gz OGCFHSRNGHTCQM-UHFFFAOYSA-N -1 0 673.789 7.782 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409313233 1072152416 /nfs/dbraw/zinc/15/24/16/1072152416.db2.gz NQCGKTVGKOUFRQ-UHFFFAOYSA-N -1 0 772.175 6.480 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000409077299 1072155638 /nfs/dbraw/zinc/15/56/38/1072155638.db2.gz DMNCLYUIVJQSDV-UHFFFAOYSA-N -1 0 547.520 5.183 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077580 1072155717 /nfs/dbraw/zinc/15/57/17/1072155717.db2.gz GAPNOMNLXUKHLK-CIAFOILYSA-N -1 0 615.948 6.853 40 30 KKEBRM CN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409077440 1072157226 /nfs/dbraw/zinc/15/72/26/1072157226.db2.gz DWQYIOWLZWVNIG-UHFFFAOYSA-N -1 0 536.422 5.770 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409312316 1072163245 /nfs/dbraw/zinc/16/32/45/1072163245.db2.gz KSGBPKLUZAPATH-KRWDZBQOSA-N -1 0 657.359 6.993 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409311948 1072165679 /nfs/dbraw/zinc/16/56/79/1072165679.db2.gz IPPKHGFWNQVSGO-STQMWFEESA-N -1 0 551.235 5.169 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409312001 1072166062 /nfs/dbraw/zinc/16/60/62/1072166062.db2.gz JAQNHBZSZDQWCL-JTQLQIEISA-N -1 0 513.617 5.676 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(F)cc1 ZINC000409085186 1072179445 /nfs/dbraw/zinc/17/94/45/1072179445.db2.gz YXWFPMRLAMGJNV-UHFFFAOYSA-N -1 0 559.634 6.030 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC000409310527 1072181782 /nfs/dbraw/zinc/18/17/82/1072181782.db2.gz AQTSSZKDPGZRMN-UHFFFAOYSA-N -1 0 691.804 7.476 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC000409310419 1072183758 /nfs/dbraw/zinc/18/37/58/1072183758.db2.gz BBVTUJPJRXYAJO-OAHLLOKOSA-N -1 0 535.442 5.969 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409309730 1072188326 /nfs/dbraw/zinc/18/83/26/1072188326.db2.gz LUKDZNDBBVZLTM-INIZCTEOSA-N -1 0 568.855 6.485 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000409084584 1072189721 /nfs/dbraw/zinc/18/97/21/1072189721.db2.gz PSVNRXRNJAIJQS-UHFFFAOYSA-N -1 0 547.520 5.183 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409309871 1072189916 /nfs/dbraw/zinc/18/99/16/1072189916.db2.gz NKWDVWANAHKECO-INIZCTEOSA-N -1 0 568.855 6.485 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084361 1072190240 /nfs/dbraw/zinc/19/02/40/1072190240.db2.gz XBHTWEZLLJXSAO-KXVDBBMMSA-N -1 0 512.031 7.169 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409309685 1072190917 /nfs/dbraw/zinc/19/09/17/1072190917.db2.gz KXJCOCDHTGGOCA-INIZCTEOSA-N -1 0 568.855 6.485 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409309461 1072191468 /nfs/dbraw/zinc/19/14/68/1072191468.db2.gz HSQPTPYTQBRLFF-UHFFFAOYSA-N -1 0 595.406 5.188 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409309294 1072192508 /nfs/dbraw/zinc/19/25/08/1072192508.db2.gz FCYVWRRBBJWESF-UHFFFAOYSA-N -1 0 584.470 6.814 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409309285 1072196082 /nfs/dbraw/zinc/19/60/82/1072196082.db2.gz DZHGZAPFMADIGC-CYBMUJFWSA-N -1 0 622.270 5.612 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409083645 1072198754 /nfs/dbraw/zinc/19/87/54/1072198754.db2.gz LFOPDHZDXNDTKV-VMJBBSNPSA-N -1 0 557.028 7.077 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Br)c1OCC(=O)[O-] ZINC000409308285 1072206955 /nfs/dbraw/zinc/20/69/55/1072206955.db2.gz WUCJIWWLPNJKTA-UHFFFAOYSA-N -1 0 592.402 5.325 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409308334 1072207344 /nfs/dbraw/zinc/20/73/44/1072207344.db2.gz XCXHNOXIRIYKEI-LJQANCHMSA-N -1 0 622.516 6.399 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409082739 1072207477 /nfs/dbraw/zinc/20/74/77/1072207477.db2.gz SPHNSIYESBHOMO-QVKLBEAGSA-N -1 0 544.673 7.439 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409308205 1072210201 /nfs/dbraw/zinc/21/02/01/1072210201.db2.gz WRCHGCHMPSLAQX-AWEZNQCLSA-N -1 0 641.272 6.077 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409082457 1072210904 /nfs/dbraw/zinc/21/09/04/1072210904.db2.gz JEKHVPUSLPEOLG-XRNVTWDNSA-N -1 0 561.103 8.514 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409307955 1072215438 /nfs/dbraw/zinc/21/54/38/1072215438.db2.gz VMUFMXRXRAFSIU-UHFFFAOYSA-N -1 0 674.979 8.079 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409307679 1072220561 /nfs/dbraw/zinc/22/05/61/1072220561.db2.gz UOLXHFCGSYHEHV-UHFFFAOYSA-N -1 0 585.798 5.442 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000409307459 1072221487 /nfs/dbraw/zinc/22/14/87/1072221487.db2.gz UYXCSVOQZBDFML-KRWDZBQOSA-N -1 0 518.495 5.873 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409081647 1072222138 /nfs/dbraw/zinc/22/21/38/1072222138.db2.gz HLDDUMSGZFETKX-DZSAYSIWSA-N -1 0 673.618 9.433 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409307382 1072223819 /nfs/dbraw/zinc/22/38/19/1072223819.db2.gz SIGMBROTLCOIPG-UHFFFAOYSA-N -1 0 613.512 6.849 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409081266 1072223945 /nfs/dbraw/zinc/22/39/45/1072223945.db2.gz GSZHNPDELZFHHD-GSRFPTTGSA-N -1 0 603.527 8.696 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409081270 1072224073 /nfs/dbraw/zinc/22/40/73/1072224073.db2.gz PHVONTMQPMDADS-UHFFFAOYSA-N -1 0 686.621 6.386 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409081196 1072226399 /nfs/dbraw/zinc/22/63/99/1072226399.db2.gz JYBUGDOLRVMFGM-IPFQNQMQSA-N -1 0 556.482 7.278 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000409080989 1072227282 /nfs/dbraw/zinc/22/72/82/1072227282.db2.gz ORYWLMHHUSQCHI-BDBFOOTBSA-N -1 0 541.028 7.426 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC000409317015 1072227766 /nfs/dbraw/zinc/22/77/66/1072227766.db2.gz NMXHZDQRZRMCHW-HNNXBMFYSA-N -1 0 722.228 7.366 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409316298 1072230837 /nfs/dbraw/zinc/23/08/37/1072230837.db2.gz MBKBGVWMFSXXNQ-CYBMUJFWSA-N -1 0 629.733 6.050 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409315503 1072240046 /nfs/dbraw/zinc/24/00/46/1072240046.db2.gz JPDZWLFAFLVXLW-HNNXBMFYSA-N -1 0 668.326 5.944 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC000409315535 1072240506 /nfs/dbraw/zinc/24/05/06/1072240506.db2.gz JCGZXUYUPZWSDR-LLVKDONJSA-N -1 0 710.104 5.055 40 30 KKEBRM Cc1ccc(Oc2ccc(/N=C/c3cc(Br)cc(I)c3[O-])cc2)cc1 ZINC000409095180 1072241514 /nfs/dbraw/zinc/24/15/14/1072241514.db2.gz HHYQEZPVBKMCBD-FSJBWODESA-N -1 0 508.153 6.611 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC000409326730 1072245025 /nfs/dbraw/zinc/24/50/25/1072245025.db2.gz NKMFAGCBUKUKPF-NEPJUHHUSA-N -1 0 724.131 5.616 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409093477 1072253281 /nfs/dbraw/zinc/25/32/81/1072253281.db2.gz ZRTDHTLJPZPFEB-FZZNPWPASA-N -1 0 593.960 8.326 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093488 1072253684 /nfs/dbraw/zinc/25/36/84/1072253684.db2.gz ZXCRAJGOHGKQED-UHFFFAOYSA-N -1 0 640.611 7.031 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409326308 1072248982 /nfs/dbraw/zinc/24/89/82/1072248982.db2.gz JSAIBYBTNIHXSV-KRWDZBQOSA-N -1 0 568.468 5.678 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093321 1072255164 /nfs/dbraw/zinc/25/51/64/1072255164.db2.gz YVRSMIXOCPJILO-UHFFFAOYSA-N -1 0 705.524 8.329 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409324791 1072261640 /nfs/dbraw/zinc/26/16/40/1072261640.db2.gz VCAMTQLNHSXMKE-UHFFFAOYSA-N -1 0 599.279 6.033 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409092962 1072257449 /nfs/dbraw/zinc/25/74/49/1072257449.db2.gz XCPQZRGYJXZUGQ-WDHOPVFISA-N -1 0 581.488 5.984 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409325099 1072259222 /nfs/dbraw/zinc/25/92/22/1072259222.db2.gz XCUFIMRRPLSUDI-UHFFFAOYSA-N -1 0 644.276 5.942 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092313 1072264426 /nfs/dbraw/zinc/26/44/26/1072264426.db2.gz UEXWPHQKUWFZBW-UHFFFAOYSA-N -1 0 597.964 5.455 40 30 KKEBRM O=C([O-])COc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I ZINC000409323662 1072272903 /nfs/dbraw/zinc/27/29/03/1072272903.db2.gz OYECRERQMORLST-UHFFFAOYSA-N -1 0 736.142 5.762 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409323741 1072273655 /nfs/dbraw/zinc/27/36/55/1072273655.db2.gz PMBSPGZBKLDACO-IRXDYDNUSA-N -1 0 556.457 5.534 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409323468 1072273740 /nfs/dbraw/zinc/27/37/40/1072273740.db2.gz OBTYUOCCVFRUQF-HNNXBMFYSA-N -1 0 613.852 6.394 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409091039 1072274131 /nfs/dbraw/zinc/27/41/31/1072274131.db2.gz ORUMYQTUTBTUIS-DHYKMOEVSA-N -1 0 570.711 7.450 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409323542 1072274465 /nfs/dbraw/zinc/27/44/65/1072274465.db2.gz PWYCFNZFVIMRNF-LLVKDONJSA-N -1 0 616.104 5.371 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409323967 1072269977 /nfs/dbraw/zinc/26/99/77/1072269977.db2.gz QILQLEARKPVSQY-ZDUSSCGKSA-N -1 0 577.819 5.502 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409323022 1072277265 /nfs/dbraw/zinc/27/72/65/1072277265.db2.gz MNJCIHZZQJKJSX-CYBMUJFWSA-N -1 0 611.718 6.357 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409323062 1072277740 /nfs/dbraw/zinc/27/77/40/1072277740.db2.gz MMAZXBUCCHNSKD-UHFFFAOYSA-N -1 0 657.359 6.822 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000409322767 1072279909 /nfs/dbraw/zinc/27/99/09/1072279909.db2.gz KYJIZLBTNUTYMO-UHFFFAOYSA-N -1 0 639.890 6.928 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409321707 1072288627 /nfs/dbraw/zinc/28/86/27/1072288627.db2.gz IZDYALYFKLVSBI-CHWSQXEVSA-N -1 0 629.733 6.221 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409321934 1072287928 /nfs/dbraw/zinc/28/79/28/1072287928.db2.gz HXZHOWKFBHJSJM-CQSZACIVSA-N -1 0 655.771 6.755 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC000409321571 1072289813 /nfs/dbraw/zinc/28/98/13/1072289813.db2.gz GXNWMDFZTMKKPS-QWHCGFSZSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@H](C)C(=O)[O-] ZINC000409321668 1072290750 /nfs/dbraw/zinc/29/07/50/1072290750.db2.gz UMZAWNYEBLXEJU-QWHCGFSZSA-N -1 0 551.235 5.169 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000409089405 1072290755 /nfs/dbraw/zinc/29/07/55/1072290755.db2.gz JCGLIRBCQZQIDJ-CXDJBMGHSA-N -1 0 547.124 7.546 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409320960 1072297889 /nfs/dbraw/zinc/29/78/89/1072297889.db2.gz GARZJGUUJAETIO-UHFFFAOYSA-N -1 0 748.266 7.900 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088040 1072302525 /nfs/dbraw/zinc/30/25/25/1072302525.db2.gz DSPYWTKJNKMHPQ-UHFFFAOYSA-N -1 0 705.126 8.618 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC000409319819 1072306130 /nfs/dbraw/zinc/30/61/30/1072306130.db2.gz MGGGVPOPIGJSIB-VXGBXAGGSA-N -1 0 660.157 5.940 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C2=C1CCCC2=O ZINC000409087520 1072306229 /nfs/dbraw/zinc/30/62/29/1072306229.db2.gz URCMKTXOZZPGGX-UHFFFAOYSA-N -1 0 612.389 5.556 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c2C(=O)Nc2ccccc2)C1 ZINC000409087631 1072307530 /nfs/dbraw/zinc/30/75/30/1072307530.db2.gz COMQENZSPRDKCW-WSNGUSJXSA-N -1 0 561.103 8.514 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087443 1072308547 /nfs/dbraw/zinc/30/85/47/1072308547.db2.gz CNZPRXJMGQODHT-DEDYPNTBSA-N -1 0 606.975 6.051 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409319463 1072311316 /nfs/dbraw/zinc/31/13/16/1072311316.db2.gz GROUHLZMCNHUQU-UHFFFAOYSA-N -1 0 568.855 6.314 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409318715 1072317913 /nfs/dbraw/zinc/31/79/13/1072317913.db2.gz XJYCZCUSUUMFFA-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409318020 1072324140 /nfs/dbraw/zinc/32/41/40/1072324140.db2.gz SNQVAGONZNSVJX-UHFFFAOYSA-N -1 0 604.501 6.765 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)SC2=N)s1 ZINC000409336512 1072330726 /nfs/dbraw/zinc/33/07/26/1072330726.db2.gz ONFGFLSJCWDQRD-HKDICLHKSA-N -1 0 525.453 5.732 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409333929 1072350674 /nfs/dbraw/zinc/35/06/74/1072350674.db2.gz FYGMNMUJGOKZJG-YYIIPSDLSA-N -1 0 609.365 6.631 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC000409334088 1072349901 /nfs/dbraw/zinc/34/99/01/1072349901.db2.gz RPAKIKXDXOFUCP-LLVKDONJSA-N -1 0 527.202 5.325 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409332732 1072358919 /nfs/dbraw/zinc/35/89/19/1072358919.db2.gz LUFAVMHFVUJTEU-LLVKDONJSA-N -1 0 601.679 5.270 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409331099 1072371647 /nfs/dbraw/zinc/37/16/47/1072371647.db2.gz DSJQJCVVJWNOSU-HXUWFJFHSA-N -1 0 618.528 6.959 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409331410 1072370007 /nfs/dbraw/zinc/37/00/07/1072370007.db2.gz DADHXGUAXLYWGT-KBPBESRZSA-N -1 0 595.288 5.568 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1O[C@H](C)C(=O)[O-] ZINC000409331448 1072370333 /nfs/dbraw/zinc/37/03/33/1072370333.db2.gz DFHKKNRMQJGTLI-MRXNPFEDSA-N -1 0 542.430 5.340 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000409337276 1072403610 /nfs/dbraw/zinc/40/36/10/1072403610.db2.gz SHPMDCCNMAADJG-ZBKNUEDVSA-N -1 0 614.042 6.507 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=N)s1 ZINC000409336924 1072405859 /nfs/dbraw/zinc/40/58/59/1072405859.db2.gz QSMWXCNXLVLJAE-ZZOVDFBMSA-N -1 0 518.433 5.999 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409123811 1072470775 /nfs/dbraw/zinc/47/07/75/1072470775.db2.gz ISNKRBRSXXCUOZ-WGOQTCKBSA-N -1 0 588.632 5.601 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409136587 1072476400 /nfs/dbraw/zinc/47/64/00/1072476400.db2.gz XPTUJGJEKADVLG-KEBDBYFISA-N -1 0 522.406 5.821 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1cc(OC)ccc1OC ZINC000409337377 1072495686 /nfs/dbraw/zinc/49/56/86/1072495686.db2.gz UHQMQJSKVUOZSE-QMUPLTOVSA-N -1 0 525.652 5.513 40 30 KKEBRM Cc1ccc(-c2oc(/N=C/c3cc(Br)cc(Br)c3[O-])c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409350367 1072543561 /nfs/dbraw/zinc/54/35/61/1072543561.db2.gz RTFZWEUUVHDMLW-AMVVHIIESA-N -1 0 550.250 8.083 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409141142 1072554604 /nfs/dbraw/zinc/55/46/04/1072554604.db2.gz UJNDWGGJCJSNLE-STBIYBPSSA-N -1 0 560.679 5.993 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409137389 1072576176 /nfs/dbraw/zinc/57/61/76/1072576176.db2.gz WXFSBFYNFLKBGT-WGOQTCKBSA-N -1 0 649.538 6.225 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000409372171 1072647006 /nfs/dbraw/zinc/64/70/06/1072647006.db2.gz YFLBEWARSVDJHR-PMACEKPBSA-N -1 0 637.407 6.217 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386126 1072688036 /nfs/dbraw/zinc/68/80/36/1072688036.db2.gz OLNLYJHHRSRYGI-XKZIYDEJSA-N -1 0 505.665 6.241 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)SC1=Nc1ccccc1 ZINC000409385566 1072692432 /nfs/dbraw/zinc/69/24/32/1072692432.db2.gz LJLLEQODABVWPE-IFUCWPOCSA-N -1 0 505.665 6.357 40 30 KKEBRM COc1cccc(Oc2ccc(/N=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)cc2)c1 ZINC000409385469 1072693476 /nfs/dbraw/zinc/69/34/76/1072693476.db2.gz KRCYXJIFCREFOT-OCSSWDANSA-N -1 0 500.620 7.284 40 30 KKEBRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409384600 1072698456 /nfs/dbraw/zinc/69/84/56/1072698456.db2.gz DHBCHMICUJEQQW-VQTJNVASSA-N -1 0 637.407 6.217 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409382722 1072706478 /nfs/dbraw/zinc/70/64/78/1072706478.db2.gz PYFKSMIOUJOMJC-PCLIKHOPSA-N -1 0 591.527 6.159 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409379862 1072721080 /nfs/dbraw/zinc/72/10/80/1072721080.db2.gz AFSFUSBAFAYREI-PCLIKHOPSA-N -1 0 530.621 5.536 40 30 KKEBRM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409173672 1072725604 /nfs/dbraw/zinc/72/56/04/1072725604.db2.gz OINSMCLYYAGDLS-ZMOGYAJESA-N -1 0 640.455 6.075 40 30 KKEBRM Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387590 1072742783 /nfs/dbraw/zinc/74/27/83/1072742783.db2.gz XBQLESXRIVQEEJ-BCHBDCPOSA-N -1 0 506.506 6.106 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409407099 1072755699 /nfs/dbraw/zinc/75/56/99/1072755699.db2.gz ZSVLCOIACRVTKC-UHFFFAOYSA-N -1 0 554.400 5.985 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409405833 1072760995 /nfs/dbraw/zinc/76/09/95/1072760995.db2.gz VXPUFAIILUZZCY-UHFFFAOYSA-N -1 0 505.530 5.232 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)c1 ZINC000409403816 1072769359 /nfs/dbraw/zinc/76/93/59/1072769359.db2.gz MZWXYZVMWZDOEM-UHFFFAOYSA-N -1 0 509.949 5.876 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000409403306 1072772530 /nfs/dbraw/zinc/77/25/30/1072772530.db2.gz IBJYFASREXXQQO-UHFFFAOYSA-N -1 0 599.397 5.894 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403106 1072773069 /nfs/dbraw/zinc/77/30/69/1072773069.db2.gz KQXVVMKDKORWFX-UHFFFAOYSA-N -1 0 554.002 6.275 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409402334 1072776769 /nfs/dbraw/zinc/77/67/69/1072776769.db2.gz HHQYUEAUQUHYBJ-UHFFFAOYSA-N -1 0 645.453 6.226 40 30 KKEBRM Cc1c(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cccc1C(=O)[O-] ZINC000409184005 1072780326 /nfs/dbraw/zinc/78/03/26/1072780326.db2.gz HPYSTFASOSEFPL-BRJLIKDPSA-N -1 0 503.190 6.548 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409409996 1072808078 /nfs/dbraw/zinc/80/80/78/1072808078.db2.gz YDORYLSLHGCCOW-XKZIYDEJSA-N -1 0 509.389 5.771 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409196118 1072833951 /nfs/dbraw/zinc/83/39/51/1072833951.db2.gz ZBFJXTOGIZMKDC-YZSQISJMSA-N -1 0 619.114 6.506 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409195054 1072839612 /nfs/dbraw/zinc/83/96/12/1072839612.db2.gz RBLKVNIKIXPNBV-MTDXEUNCSA-N -1 0 633.141 6.896 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409191617 1072860225 /nfs/dbraw/zinc/86/02/25/1072860225.db2.gz JHIBWOOLPPPNFJ-WPWMEQJKSA-N -1 0 663.565 6.615 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409191385 1072862900 /nfs/dbraw/zinc/86/29/00/1072862900.db2.gz WWQOMGJZIXYTKR-TURZUDJPSA-N -1 0 662.761 5.739 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409189775 1072874075 /nfs/dbraw/zinc/87/40/75/1072874075.db2.gz SQAGZYDYQXHIRC-WPWMEQJKSA-N -1 0 602.659 5.991 40 30 KKEBRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F ZINC000409444192 1072915134 /nfs/dbraw/zinc/91/51/34/1072915134.db2.gz TVTXCJFHQKSQQM-OHMLLRHZSA-N -1 0 616.492 6.939 40 30 KKEBRM COc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409200314 1072922764 /nfs/dbraw/zinc/92/27/64/1072922764.db2.gz HQQFMOXMBAXZKU-LGJNPRDNSA-N -1 0 515.347 5.944 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC001531095934 1072927756 /nfs/dbraw/zinc/92/77/56/1072927756.db2.gz FVJDLBZZHLGCNV-RINLEZQFSA-N -1 0 674.184 6.114 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531099918 1072928974 /nfs/dbraw/zinc/92/89/74/1072928974.db2.gz JYXOFTLQMPUHPD-YNFMAFFXSA-N -1 0 613.852 6.178 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCC(=O)[O-] ZINC001531109939 1072932234 /nfs/dbraw/zinc/93/22/34/1072932234.db2.gz LLZBYRUNLIUMET-NCAUGAEKSA-N -1 0 615.706 5.617 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001531114750 1072933611 /nfs/dbraw/zinc/93/36/11/1072933611.db2.gz FGIBYXLTPKRHAC-AEUUOICLSA-N -1 0 627.539 7.023 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531134573 1072940803 /nfs/dbraw/zinc/94/08/03/1072940803.db2.gz PEEURUWDUBGGBU-VKVKMMGJSA-N -1 0 722.228 7.150 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC001531157467 1072949308 /nfs/dbraw/zinc/94/93/08/1072949308.db2.gz BXZOFSCIVQFNRP-WQBBPGTOSA-N -1 0 585.680 5.607 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531163238 1072951965 /nfs/dbraw/zinc/95/19/65/1072951965.db2.gz RIJXDTRGKPTCFK-AMVVHIIESA-N -1 0 629.305 6.042 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc(Br)c1[O-] ZINC001531177861 1072955392 /nfs/dbraw/zinc/95/53/92/1072955392.db2.gz KIAPTYIGRPKFIP-AQHIEDMUSA-N -1 0 513.617 5.460 40 30 KKEBRM CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409213202 1072957027 /nfs/dbraw/zinc/95/70/27/1072957027.db2.gz RLXTWRTYTGLBCJ-LGJNPRDNSA-N -1 0 517.217 6.802 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001531215001 1072969841 /nfs/dbraw/zinc/96/98/41/1072969841.db2.gz NFMONPJGTSREOM-QKLWLHCCSA-N -1 0 565.468 5.598 40 30 KKEBRM Cc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC001531217736 1072970763 /nfs/dbraw/zinc/97/07/63/1072970763.db2.gz BKWBBJRBRJCZLQ-ZMGVVAQMSA-N -1 0 571.475 6.348 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC001531217848 1072971735 /nfs/dbraw/zinc/97/17/35/1072971735.db2.gz YYHRCFTZNKWXGZ-MWYAZZEHSA-N -1 0 616.104 5.327 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c([O-])c(I)c1 ZINC001531226833 1072975745 /nfs/dbraw/zinc/97/57/45/1072975745.db2.gz HOBRROPFUKYBBX-ABTNGYCASA-N -1 0 652.068 5.470 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409225787 1072977094 /nfs/dbraw/zinc/97/70/94/1072977094.db2.gz LAZGCPBYNPCUDK-WPWMEQJKSA-N -1 0 602.665 5.775 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409225741 1072977436 /nfs/dbraw/zinc/97/74/36/1072977436.db2.gz KQYMWKQYHARBNL-JELSIQHMSA-N -1 0 646.478 6.730 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409223429 1072988844 /nfs/dbraw/zinc/98/88/44/1072988844.db2.gz FSGABQHBXJLBOC-JELSIQHMSA-N -1 0 599.478 6.888 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001531238370 1072992941 /nfs/dbraw/zinc/99/29/41/1072992941.db2.gz KBPNIFJNAXQIFW-DXRBVMPTSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531238379 1072992986 /nfs/dbraw/zinc/99/29/86/1072992986.db2.gz KXJCOCDHTGGOCA-ZNIRGWDNSA-N -1 0 568.855 6.485 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531244756 1072998569 /nfs/dbraw/zinc/99/85/69/1072998569.db2.gz CBNPBAPYHVSYPM-UAMLYTHZSA-N -1 0 577.479 5.898 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531245062 1073000897 /nfs/dbraw/zinc/00/08/97/1073000897.db2.gz MUIHZXHWHHKRSF-RTHFECFVSA-N -1 0 598.881 6.494 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531255767 1073011447 /nfs/dbraw/zinc/01/14/47/1073011447.db2.gz NRVZAPJPPMYUIT-ZEHKQSLBSA-N -1 0 578.463 6.231 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409218659 1073011802 /nfs/dbraw/zinc/01/18/02/1073011802.db2.gz XCUJJTWPSQERAC-FDAWAROLSA-N -1 0 501.966 7.559 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531256525 1073013886 /nfs/dbraw/zinc/01/38/86/1073013886.db2.gz IPPKHGFWNQVSGO-UFOJXWSGSA-N -1 0 551.235 5.169 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409230079 1073016201 /nfs/dbraw/zinc/01/62/01/1073016201.db2.gz BEVJCHHPJGBATN-WGOQTCKBSA-N -1 0 607.084 6.419 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCC(=O)[O-] ZINC001531263465 1073021080 /nfs/dbraw/zinc/02/10/80/1073021080.db2.gz SWNPZYIZGORPDJ-RCMPGLAHSA-N -1 0 581.261 5.179 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531263410 1073021204 /nfs/dbraw/zinc/02/12/04/1073021204.db2.gz RSPMQYKXPOMLLC-WGNGTQIVSA-N -1 0 609.433 5.749 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531268592 1073027526 /nfs/dbraw/zinc/02/75/26/1073027526.db2.gz KYWQKUBFSJPNHU-OKCVXOCRSA-N -1 0 564.436 5.670 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531268630 1073028365 /nfs/dbraw/zinc/02/83/65/1073028365.db2.gz PBVIYZNJXBRHJZ-AOAIAPAPSA-N -1 0 603.300 7.139 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409237295 1073033562 /nfs/dbraw/zinc/03/35/62/1073033562.db2.gz JITSTVNJADPSRM-KTDAUIDJSA-N -1 0 555.425 6.489 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC001531275397 1073036868 /nfs/dbraw/zinc/03/68/68/1073036868.db2.gz MEHPPLSITZCDOP-ABBGQUIISA-N -1 0 616.104 5.543 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531275234 1073037020 /nfs/dbraw/zinc/03/70/20/1073037020.db2.gz JJFUHUSDTCXIKD-WKULSOCRSA-N -1 0 579.407 5.569 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531275631 1073038933 /nfs/dbraw/zinc/03/89/33/1073038933.db2.gz WOPDYBWLAOTCJW-FJEPWZHXSA-N -1 0 580.435 5.288 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531276662 1073041282 /nfs/dbraw/zinc/04/12/82/1073041282.db2.gz MXTZJVJWCLFMBS-XAZZYMPDSA-N -1 0 786.202 6.870 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC001531277939 1073042974 /nfs/dbraw/zinc/04/29/74/1073042974.db2.gz JCGZXUYUPZWSDR-DLDHGHKKSA-N -1 0 710.104 5.055 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC001531277978 1073043909 /nfs/dbraw/zinc/04/39/09/1073043909.db2.gz NMXHZDQRZRMCHW-SAHOEIGMSA-N -1 0 722.228 7.366 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC001531283010 1073048511 /nfs/dbraw/zinc/04/85/11/1073048511.db2.gz DKTHYKDOJUZREX-IUNJMZQDSA-N -1 0 565.468 5.814 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC001531291426 1073060275 /nfs/dbraw/zinc/06/02/75/1073060275.db2.gz NHCBMWCKTBRQOI-XZYGTATASA-N -1 0 627.539 7.069 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531291582 1073061197 /nfs/dbraw/zinc/06/11/97/1073061197.db2.gz UAYKZTRMGFPZLP-KPGMTVGESA-N -1 0 657.359 6.822 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409232468 1073061690 /nfs/dbraw/zinc/06/16/90/1073061690.db2.gz IETMMPBJNVSIBZ-KTDAUIDJSA-N -1 0 555.425 6.489 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC001531296590 1073066817 /nfs/dbraw/zinc/06/68/17/1073066817.db2.gz KNZWUBZFGYAOJO-IURWMYGYSA-N -1 0 663.750 6.695 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC001531296601 1073067255 /nfs/dbraw/zinc/06/72/55/1073067255.db2.gz MGGGVPOPIGJSIB-MWWLPYSISA-N -1 0 660.157 5.940 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Cl)c1Br ZINC001531297206 1073070523 /nfs/dbraw/zinc/07/05/23/1073070523.db2.gz OBHQZKKPIPIQCA-NSKAYECMSA-N -1 0 601.679 5.272 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001531297593 1073073410 /nfs/dbraw/zinc/07/34/10/1073073410.db2.gz LNOFYVWXVLOCAW-ZVYABZQBSA-N -1 0 541.229 5.543 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409245821 1073080408 /nfs/dbraw/zinc/08/04/08/1073080408.db2.gz ZLARKVVXMLAWNI-JELSIQHMSA-N -1 0 555.027 6.779 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(F)cc1 ZINC000409244181 1073089088 /nfs/dbraw/zinc/08/90/88/1073089088.db2.gz ZATAIFMEGAHPAL-KTDAUIDJSA-N -1 0 602.425 6.331 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531312359 1073090451 /nfs/dbraw/zinc/09/04/51/1073090451.db2.gz VJIHZFRAEDFGBL-ZTCTXGLISA-N -1 0 564.436 5.841 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(I)c1 ZINC001531318683 1073095289 /nfs/dbraw/zinc/09/52/89/1073095289.db2.gz QLKUTQKQJHOQPS-ZXWLHBBBSA-N -1 0 598.235 5.011 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001531325296 1073099644 /nfs/dbraw/zinc/09/96/44/1073099644.db2.gz LCPLAFMAVSKSSA-UVHMKAGCSA-N -1 0 528.790 5.995 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531325599 1073101387 /nfs/dbraw/zinc/10/13/87/1073101387.db2.gz WTIYQUWWILOSLJ-FJEPWZHXSA-N -1 0 660.306 6.266 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@@H](C)C(=O)[O-])c2ccccc12 ZINC001531326520 1073103964 /nfs/dbraw/zinc/10/39/64/1073103964.db2.gz MAEYZYQXRJAUKI-WUZMBTTISA-N -1 0 509.404 5.463 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1OCC(=O)[O-] ZINC001531326504 1073104063 /nfs/dbraw/zinc/10/40/63/1073104063.db2.gz BLOFZDBOQSULER-ICENNLKGSA-N -1 0 615.706 5.833 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC001531326621 1073106007 /nfs/dbraw/zinc/10/60/07/1073106007.db2.gz PMBSPGZBKLDACO-DCAJLVOZSA-N -1 0 556.457 5.534 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531327118 1073109756 /nfs/dbraw/zinc/10/97/56/1073109756.db2.gz ZTHUYLKHRILCFF-DPNNOFEESA-N -1 0 604.501 6.398 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC001531329129 1073110627 /nfs/dbraw/zinc/11/06/27/1073110627.db2.gz FUASKERWWWCSHI-BUMKNRDJSA-N -1 0 643.332 6.603 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409238566 1073119743 /nfs/dbraw/zinc/11/97/43/1073119743.db2.gz AXFUDWMSAQBFJZ-CVKSISIWSA-N -1 0 590.629 5.905 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC001531336960 1073120776 /nfs/dbraw/zinc/12/07/76/1073120776.db2.gz GYABFMJCWBDHSU-ASDXFMOLSA-N -1 0 596.232 5.077 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531347252 1073136417 /nfs/dbraw/zinc/13/64/17/1073136417.db2.gz WORWGCJCRSVMJO-XHARTHDMSA-N -1 0 585.680 5.823 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531351059 1073141385 /nfs/dbraw/zinc/14/13/85/1073141385.db2.gz JHQSARWHKKPISE-TVQHPBQSSA-N -1 0 674.184 6.330 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531351035 1073141474 /nfs/dbraw/zinc/14/14/74/1073141474.db2.gz JCCQRQGXVMQHKU-VFLNYLIXSA-N -1 0 644.276 5.942 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531382635 1073145426 /nfs/dbraw/zinc/14/54/26/1073145426.db2.gz CSJGZJJHSXLSBM-VTNSRFBWSA-N -1 0 584.426 5.994 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531383146 1073150202 /nfs/dbraw/zinc/15/02/02/1073150202.db2.gz YJXAJVXTLWMKAS-DPNNOFEESA-N -1 0 554.002 6.275 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)c1 ZINC001531383597 1073152988 /nfs/dbraw/zinc/15/29/88/1073152988.db2.gz NLRJDSWBDWEZED-KBVAKVRCSA-N -1 0 601.400 5.828 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC001531384965 1073163290 /nfs/dbraw/zinc/16/32/90/1073163290.db2.gz PPMOSUKXANIDTC-XODNFHPESA-N -1 0 556.800 5.224 40 30 KKEBRM CN(C)c1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC001531385332 1073166495 /nfs/dbraw/zinc/16/64/95/1073166495.db2.gz WIUYYMICQHPTAE-BIZUNTBRSA-N -1 0 518.573 5.289 40 30 KKEBRM O=C([O-])c1ccc(COc2c(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc(Br)cc2[N+](=O)[O-])cc1 ZINC001531385393 1073166731 /nfs/dbraw/zinc/16/67/31/1073166731.db2.gz IBJYFASREXXQQO-WCMJOSRZSA-N -1 0 599.397 5.894 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC001531385547 1073167794 /nfs/dbraw/zinc/16/77/94/1073167794.db2.gz MOUDOLWFNLUYOK-KPGMTVGESA-N -1 0 588.845 6.639 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531385557 1073168224 /nfs/dbraw/zinc/16/82/24/1073168224.db2.gz VPHPOPZLLLPQOM-KBVAKVRCSA-N -1 0 550.527 5.140 40 30 KKEBRM O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1c(Br)cc(Br)c([O-])c1Br ZINC001531385667 1073169541 /nfs/dbraw/zinc/16/95/41/1073169541.db2.gz PNZVOZNYVMGQNR-OPEKNORGSA-N -1 0 578.058 5.939 40 30 KKEBRM CCCCCCC[C@H](CC(=O)O[C@@H](CCCCC)CC(=O)[O-])OC(=O)[C@@H](CO)NC(=O)C[C@@H](O)CCCCCCC ZINC001534676442 1073173111 /nfs/dbraw/zinc/17/31/11/1073173111.db2.gz TUFUSJVDHPRNSG-GWMMUDDPSA-N -1 0 587.795 5.204 40 30 KKEBRM CCCCCCC[C@H](O)CC(=O)N[C@H](CO)C(=O)O[C@@H](CCCCCCC)CC(=O)O[C@H](CCCCC)CC(=O)[O-] ZINC001534676446 1073173231 /nfs/dbraw/zinc/17/32/31/1073173231.db2.gz TUFUSJVDHPRNSG-YYGZZXRFSA-N -1 0 587.795 5.204 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)cc1C(C)C ZINC000409275039 1073304010 /nfs/dbraw/zinc/30/40/10/1073304010.db2.gz HLYYLMIGWAMACK-UHFFFAOYSA-N -1 0 598.703 7.477 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409277092 1073323468 /nfs/dbraw/zinc/32/34/68/1073323468.db2.gz YXNHRXSEDQOUPM-ZDUSSCGKSA-N -1 0 595.288 5.352 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br ZINC000409276944 1073325207 /nfs/dbraw/zinc/32/52/07/1073325207.db2.gz AABWUDJAAVXBLX-UHFFFAOYSA-N -1 0 552.768 5.571 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409276761 1073326211 /nfs/dbraw/zinc/32/62/11/1073326211.db2.gz WAXUYQYTOAVSRT-UHFFFAOYSA-N -1 0 624.797 6.243 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409276863 1073327351 /nfs/dbraw/zinc/32/73/51/1073327351.db2.gz XGSYPIHKPNNJPH-UHFFFAOYSA-N -1 0 565.380 5.350 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc([N+](=O)[O-])c3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409276650 1073328419 /nfs/dbraw/zinc/32/84/19/1073328419.db2.gz URAKMHNJPMDAMN-UHFFFAOYSA-N -1 0 590.548 5.886 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)[O-] ZINC000409276525 1073329970 /nfs/dbraw/zinc/32/99/70/1073329970.db2.gz SFGMBPJNMPFEAI-UHFFFAOYSA-N -1 0 641.272 6.079 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409276422 1073331999 /nfs/dbraw/zinc/33/19/99/1073331999.db2.gz QYAXKSCUEPAFMK-UHFFFAOYSA-N -1 0 575.577 5.986 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409286430 1073346374 /nfs/dbraw/zinc/34/63/74/1073346374.db2.gz YRGBNHBDOAOOFH-UHFFFAOYSA-N -1 0 544.041 5.395 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br)C(=O)[O-] ZINC000409286010 1073351456 /nfs/dbraw/zinc/35/14/56/1073351456.db2.gz VHSMMBIBFZGSLO-ZDUSSCGKSA-N -1 0 594.771 6.232 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409285788 1073352544 /nfs/dbraw/zinc/35/25/44/1073352544.db2.gz XJXJAJILXKVQHV-ZDUSSCGKSA-N -1 0 560.872 5.378 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409285763 1073355078 /nfs/dbraw/zinc/35/50/78/1073355078.db2.gz OFGAVUYBXSXBAM-HXUWFJFHSA-N -1 0 574.559 6.224 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409285518 1073355644 /nfs/dbraw/zinc/35/56/44/1073355644.db2.gz OCPOBJGGBUENTC-UHFFFAOYSA-N -1 0 589.604 6.376 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409284944 1073362242 /nfs/dbraw/zinc/36/22/42/1073362242.db2.gz SHSSKFVXJSRIGA-MRXNPFEDSA-N -1 0 542.430 5.144 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409284679 1073365319 /nfs/dbraw/zinc/36/53/19/1073365319.db2.gz MCIJKTXNMJZTPC-UHFFFAOYSA-N -1 0 588.617 5.547 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409284499 1073366336 /nfs/dbraw/zinc/36/63/36/1073366336.db2.gz TWHAHAFWTOGDAS-UHFFFAOYSA-N -1 0 657.359 6.777 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409284051 1073371451 /nfs/dbraw/zinc/37/14/51/1073371451.db2.gz SUDROEURQLSRIH-UHFFFAOYSA-N -1 0 631.486 7.464 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409282805 1073386506 /nfs/dbraw/zinc/38/65/06/1073386506.db2.gz QRIRRFVYLXFLKT-UHFFFAOYSA-N -1 0 636.661 6.580 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409282546 1073390692 /nfs/dbraw/zinc/39/06/92/1073390692.db2.gz PAWVLHBHLOXVRJ-UHFFFAOYSA-N -1 0 560.522 5.877 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)ccc3O[C@H](C)C(=O)[O-])cc21 ZINC000409282299 1073391067 /nfs/dbraw/zinc/39/10/67/1073391067.db2.gz NCEFMHLBIYFWAU-OAHLLOKOSA-N -1 0 562.376 5.315 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409282353 1073391716 /nfs/dbraw/zinc/39/17/16/1073391716.db2.gz NMHMOCMHLRWQAU-UHFFFAOYSA-N -1 0 632.551 6.549 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409282339 1073391733 /nfs/dbraw/zinc/39/17/33/1073391733.db2.gz NIARFKDBCAFRCF-UHFFFAOYSA-N -1 0 626.847 5.979 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409282044 1073394586 /nfs/dbraw/zinc/39/45/86/1073394586.db2.gz FXFWBOFIVXARKW-NRFANRHFSA-N -1 0 512.610 5.586 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409281709 1073397625 /nfs/dbraw/zinc/39/76/25/1073397625.db2.gz NWCJXKJOVUJLKG-UHFFFAOYSA-N -1 0 615.278 5.652 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000003050482 552277109 /nfs/dbraw/zinc/27/71/09/552277109.db2.gz SSKSSPMLSCEJNI-YSURURNPSA-N -1 0 506.581 7.129 40 30 KKEBRM Cc1ccc(-c2nc3cc(/N=C/c4c(C)c(Br)c([O-])c(Br)c4O)ccc3o2)cc1C ZINC000003114077 552290172 /nfs/dbraw/zinc/29/01/72/552290172.db2.gz CASMNWBWJJBEPJ-NSKAYECMSA-N -1 0 530.216 7.107 40 30 KKEBRM O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=NNc1cccc(Cl)c1)c1c(=O)oc2ccccc2c1[O-] ZINC000005824129 552510307 /nfs/dbraw/zinc/51/03/07/552510307.db2.gz IVPVQHCZUAATCO-BRPDVVIDSA-N -1 0 547.738 6.471 40 30 KKEBRM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000005921208 552512748 /nfs/dbraw/zinc/51/27/48/552512748.db2.gz JHASIQVCTPXEJA-HSZRJFAPSA-N -1 0 536.378 5.417 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2c(OC)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000012566206 553396955 /nfs/dbraw/zinc/39/69/55/553396955.db2.gz XSFNDSPKCQFEGE-WGOQTCKBSA-N -1 0 506.540 5.012 40 30 KKEBRM S=c1[n-]nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1N=Cc1ccc(Br)cc1 ZINC000013115387 553449004 /nfs/dbraw/zinc/44/90/04/553449004.db2.gz ULJZNBTUOXCCAS-WGOQTCKBSA-N -1 0 501.413 6.105 40 30 KKEBRM CCOc1cc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc(Cl)c1[O-] ZINC000014408566 553516072 /nfs/dbraw/zinc/51/60/72/553516072.db2.gz FDGSYOQRSSERHO-WCMJOSRZSA-N -1 0 502.954 7.011 40 30 KKEBRM O=C([O-])/C(=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000077319941 553665089 /nfs/dbraw/zinc/66/50/89/553665089.db2.gz NSWHTWVHOBWFDQ-MRRCHDRASA-N -1 0 671.822 9.345 40 30 in-vitro KKEBRM CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C)c1ccc(OC(F)F)cc1 ZINC000033370672 553957638 /nfs/dbraw/zinc/95/76/38/553957638.db2.gz CZLFIGDNDXAETC-OOAXWGSJSA-N -1 0 518.542 5.840 40 30 KKEBRM COc1ccc(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1CSc1ncccn1 ZINC000097982417 554002199 /nfs/dbraw/zinc/00/21/99/554002199.db2.gz SPIUVQLAAARBOP-UXHLAJHPSA-N -1 0 594.675 5.331 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000035214822 554041914 /nfs/dbraw/zinc/04/19/14/554041914.db2.gz UTTHYQFZEZKQML-MYYYXRDXSA-N -1 0 507.399 6.155 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccccc1Cl ZINC000035656562 554062026 /nfs/dbraw/zinc/06/20/26/554062026.db2.gz KUZHTMJWXLUUAF-KOAGXIKISA-N -1 0 523.010 6.250 40 30 KKEBRM CCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC ZINC000035657266 554062266 /nfs/dbraw/zinc/06/22/66/554062266.db2.gz NDSFNUHBPWKUQX-DLIIZKKJSA-N -1 0 505.390 5.179 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000035657078 554062272 /nfs/dbraw/zinc/06/22/72/554062272.db2.gz QODHITARXGRDIP-UNAWRRCPSA-N -1 0 513.575 5.468 40 30 KKEBRM C=C(C)[C@H](CCC=C(C)C)[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(=C([O-])c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100017706 554181585 /nfs/dbraw/zinc/18/15/85/554181585.db2.gz GRBCIRZXESZBGJ-NKTVNEEOSA-N -1 0 602.812 8.915 40 30 in-vitro KKEBRM CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000100040352 554191919 /nfs/dbraw/zinc/19/19/19/554191919.db2.gz RACSQPAUTPPMLG-JYUHDHNASA-N -1 0 571.699 6.473 40 30 KKEBRM [O-]c1c(I)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1I ZINC000100060896 554198246 /nfs/dbraw/zinc/19/82/46/554198246.db2.gz JTSJQGCCWVJCBI-KPSZGOFPSA-N -1 0 546.961 5.032 40 30 KKEBRM C[C@@H](Sc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)C(=O)Nc1nccs1 ZINC000100097206 554218632 /nfs/dbraw/zinc/21/86/32/554218632.db2.gz RJVSNVFHVCNXGS-CTWDJJQWSA-N -1 0 598.367 6.853 40 30 KKEBRM CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000100209577 554248659 /nfs/dbraw/zinc/24/86/59/554248659.db2.gz OUVNGSCHEMEGGO-XKJRVUDJSA-N -1 0 587.186 7.656 40 30 KKEBRM CCOc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1OCc1cccc(Cl)c1 ZINC000100227167 554253594 /nfs/dbraw/zinc/25/35/94/554253594.db2.gz ZKLZPTHZOCGSJP-UXHLAJHPSA-N -1 0 522.026 6.264 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)c([O-])c(Br)c3)S/C2=N\c2ccccc2)cc1 ZINC000100236277 554258370 /nfs/dbraw/zinc/25/83/70/554258370.db2.gz QVMFAFCEDPHWGZ-CIFGJUBISA-N -1 0 529.843 6.621 40 30 KKEBRM Cc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000100236404 554258521 /nfs/dbraw/zinc/25/85/21/554258521.db2.gz DNRFGNRQHULURA-PEJTXYKLSA-N -1 0 525.605 6.736 40 30 KKEBRM CC[C@@H](C)c1ccccc1/N=C/c1cc(I)cc(I)c1[O-] ZINC000038179990 554274003 /nfs/dbraw/zinc/27/40/03/554274003.db2.gz QTQQIRAPVZGCPW-JZOCJUILSA-N -1 0 505.137 5.866 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000100315791 554302753 /nfs/dbraw/zinc/30/27/53/554302753.db2.gz QCQSQIBEFVTPSU-CIAFOILYSA-N -1 0 532.163 5.342 40 30 KKEBRM O=C(C1=C([O-])C2C(=N1)Oc1c3ccccc3oc(=O)c1[C@H]2c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000100351060 554331162 /nfs/dbraw/zinc/33/11/62/554331162.db2.gz VUKNQMRCYLBZAD-SIKLNZKXSA-N -1 0 593.227 5.478 40 30 KKEBRM COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c([O-])c(Br)c4)cc3s2)cc1 ZINC000100362953 554346851 /nfs/dbraw/zinc/34/68/51/554346851.db2.gz NTQUUJLDHUOLDM-KBKYJPHKSA-N -1 0 607.349 7.017 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000059105910 554380628 /nfs/dbraw/zinc/38/06/28/554380628.db2.gz KFJRIEOHPDIHET-CIAFOILYSA-N -1 0 512.946 5.657 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000059135539 554381624 /nfs/dbraw/zinc/38/16/24/554381624.db2.gz SJPVWMREWGLUOB-OVVQPSECSA-N -1 0 506.533 6.793 40 30 KKEBRM Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc([O-])c([N+](=O)[O-])c4)cc3s2)c(C)c1 ZINC000059461302 554396340 /nfs/dbraw/zinc/39/63/40/554396340.db2.gz DYFIVFPINZLZIK-RPPGKUMJSA-N -1 0 506.609 6.317 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474785 554396711 /nfs/dbraw/zinc/39/67/11/554396711.db2.gz MMDSJWIPJNMDLR-FOKLQQMPSA-N -1 0 509.525 5.300 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000100457503 554396951 /nfs/dbraw/zinc/39/69/51/554396951.db2.gz UMYYAVLGKOAXNA-IBBHUPRXSA-N -1 0 549.504 8.701 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1ccccc1C(F)(F)F ZINC000100457567 554396994 /nfs/dbraw/zinc/39/69/94/554396994.db2.gz VYNMDMBYMFONMG-LUOAPIJWSA-N -1 0 532.525 6.410 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000100457494 554397035 /nfs/dbraw/zinc/39/70/35/554397035.db2.gz XIGUEYXFSWQCEN-MUFRIFMGSA-N -1 0 525.611 7.303 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000059600034 554409112 /nfs/dbraw/zinc/40/91/12/554409112.db2.gz YIRILQGFPFDUIG-YUENMINYSA-N -1 0 513.402 6.504 40 30 KKEBRM CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCC)cc3)c(C(=O)[O-])c2)cc1 ZINC000059608642 554411649 /nfs/dbraw/zinc/41/16/49/554411649.db2.gz KKZDARLXIBOFHW-UHFFFAOYSA-N -1 0 618.767 9.302 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000100561516 554417953 /nfs/dbraw/zinc/41/79/53/554417953.db2.gz FUUNGEBKMREEDE-FQEVSTJZSA-N -1 0 520.276 6.390 40 30 KKEBRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@H]4C[C@@H]1C(C)(C)O[C@]2(C/C=C(/C)C(=O)[O-])C4=O)C3=O ZINC000059825392 554431809 /nfs/dbraw/zinc/43/18/09/554431809.db2.gz GEZHEQNLKAOMCA-KDFVBPPASA-N -1 0 628.762 7.239 40 30 biogenic,in-vitro KKEBRM CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100927337 554524687 /nfs/dbraw/zinc/52/46/87/554524687.db2.gz AANGJZZSPIITHI-NWNLVDRJSA-N -1 0 513.402 6.504 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100927664 554524939 /nfs/dbraw/zinc/52/49/39/554524939.db2.gz QGXIRIDAJSBZMZ-BELQJWEKSA-N -1 0 538.412 6.376 40 30 KKEBRM CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100927677 554524981 /nfs/dbraw/zinc/52/49/81/554524981.db2.gz RDAHIHUEJLJUER-FWGBRMSSSA-N -1 0 536.440 6.928 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938419 554531642 /nfs/dbraw/zinc/53/16/42/554531642.db2.gz IQAHRTNYLXJGRS-SILRWXEESA-N -1 0 541.398 6.099 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938685 554531676 /nfs/dbraw/zinc/53/16/76/554531676.db2.gz RJZCUGLNWVXXBX-NWNLVDRJSA-N -1 0 513.402 6.504 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000100939724 554532016 /nfs/dbraw/zinc/53/20/16/554532016.db2.gz WJMDOSMVJQFFRU-HFNVZGQZSA-N -1 0 548.020 6.121 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000101014609 554558901 /nfs/dbraw/zinc/55/89/01/554558901.db2.gz CALMSGNOAWSCLA-JLPGSUDCSA-N -1 0 513.681 6.847 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1OCC ZINC000101014727 554559018 /nfs/dbraw/zinc/55/90/18/554559018.db2.gz DXSZGUDESPWTOF-YYTOJMEDSA-N -1 0 507.718 6.525 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000101015113 554559475 /nfs/dbraw/zinc/55/94/75/554559475.db2.gz IVTFVNHLSBPRFX-DUYBAWCLSA-N -1 0 527.708 7.235 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000101015115 554559520 /nfs/dbraw/zinc/55/95/20/554559520.db2.gz IVTFVNHLSBPRFX-PTFSYIGCSA-N -1 0 527.708 7.235 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015190 554559532 /nfs/dbraw/zinc/55/95/32/554559532.db2.gz AYLVDTRAZTWWTO-BOSXMPOZSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OCC ZINC000101015255 554559747 /nfs/dbraw/zinc/55/97/47/554559747.db2.gz CDWMJEPHVPCEIY-RRKUTHLXSA-N -1 0 541.735 7.240 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=NOC(=O)CN6C(=O)CSC6=S)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000101262793 554697675 /nfs/dbraw/zinc/69/76/75/554697675.db2.gz QFDNGNBSMJPXHH-SLTPJRRRSA-N -1 0 642.928 7.632 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000101737922 554833971 /nfs/dbraw/zinc/83/39/71/554833971.db2.gz CDWHFOZWRAGMQF-VCHYOVAHSA-N -1 0 586.884 6.327 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc3ccccc3c2O)c(C)c1 ZINC000102980417 555187447 /nfs/dbraw/zinc/18/74/47/555187447.db2.gz OJJDTBZPAMUGCV-OVVQPSECSA-N -1 0 504.568 5.707 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000102983282 555188831 /nfs/dbraw/zinc/18/88/31/555188831.db2.gz CYUFCOZUFWTFOM-OGLMXYFKSA-N -1 0 533.610 5.566 40 30 KKEBRM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000102983260 555188864 /nfs/dbraw/zinc/18/88/64/555188864.db2.gz WRCKPAKJJZMRMZ-ZVYJFFFOSA-N -1 0 526.018 5.758 40 30 KKEBRM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000102983582 555189479 /nfs/dbraw/zinc/18/94/79/555189479.db2.gz PFKWNSUQVHYADF-LGUFXXKBSA-N -1 0 524.933 5.877 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000103754522 555468849 /nfs/dbraw/zinc/46/88/49/555468849.db2.gz AECUKXIQKZYUEA-KIBLKLHPSA-N -1 0 533.418 6.698 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000103841906 571362413 /nfs/dbraw/zinc/36/24/13/571362413.db2.gz RGLMFXGNJLWTTL-OVVQPSECSA-N -1 0 584.669 6.165 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000103844516 571362957 /nfs/dbraw/zinc/36/29/57/571362957.db2.gz KIJXCQHGDJHGPV-VTNSRFBWSA-N -1 0 620.721 7.276 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103844653 571362975 /nfs/dbraw/zinc/36/29/75/571362975.db2.gz XRDROHPUFMIATI-SRZZPIQSSA-N -1 0 606.385 5.060 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103847848 571363737 /nfs/dbraw/zinc/36/37/37/571363737.db2.gz RLCVIQIUBQWBSF-CIAFOILYSA-N -1 0 557.397 5.766 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000103850355 571364494 /nfs/dbraw/zinc/36/44/94/571364494.db2.gz INSDEZSYARBWHK-SRZZPIQSSA-N -1 0 564.367 5.104 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000103850673 571364610 /nfs/dbraw/zinc/36/46/10/571364610.db2.gz ONZKLWCOGFTSLM-WGOQTCKBSA-N -1 0 585.429 6.715 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000103852333 571365497 /nfs/dbraw/zinc/36/54/97/571365497.db2.gz YYCHHHHFTRRJAR-WGOQTCKBSA-N -1 0 550.615 5.515 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(I)cc1 ZINC000103852853 571365645 /nfs/dbraw/zinc/36/56/45/571365645.db2.gz CCKYXIATJRVXFR-RCCKNPSSSA-N -1 0 598.437 5.569 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000103853084 571365760 /nfs/dbraw/zinc/36/57/60/571365760.db2.gz KPLOOZYZVCRWPG-PXLXIMEGSA-N -1 0 534.584 5.502 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103853124 571365811 /nfs/dbraw/zinc/36/58/11/571365811.db2.gz HEBKAHXQOGIKJB-PXLXIMEGSA-N -1 0 561.591 5.271 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000103859007 571366887 /nfs/dbraw/zinc/36/68/87/571366887.db2.gz HARZQICAQARDMT-LQKURTRISA-N -1 0 595.453 5.974 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000103859551 571367194 /nfs/dbraw/zinc/36/71/94/571367194.db2.gz RYMKTJFMWJUEKI-MTDXEUNCSA-N -1 0 611.492 6.975 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103860257 571367360 /nfs/dbraw/zinc/36/73/60/571367360.db2.gz JBLRZGWEDNPQIB-ZSOIEALJSA-N -1 0 601.114 5.370 40 30 KKEBRM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)c(I)c(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC000104233516 571377601 /nfs/dbraw/zinc/37/76/01/571377601.db2.gz KHWTWCQKLDZSTF-UHFFFAOYSA-N -1 0 550.077 5.224 40 30 KKEBRM CC(C)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(N=Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000104251136 571377919 /nfs/dbraw/zinc/37/79/19/571377919.db2.gz WQDALKISFBUVFX-PQYKCAEGSA-N -1 0 570.731 8.067 40 30 KKEBRM CC(C)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(N=Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000104251142 571377920 /nfs/dbraw/zinc/37/79/20/571377920.db2.gz WQDALKISFBUVFX-UBVUMGHKSA-N -1 0 570.731 8.067 40 30 KKEBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cc(C)cc3c2O[C@@]2(C=C3)Oc3ccccc3C(=O)N2C)cc1 ZINC000104487216 571381124 /nfs/dbraw/zinc/38/11/24/571381124.db2.gz OWWOWFFYGUBYPN-DEHDNXAZSA-N -1 0 565.651 6.079 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110722067 571431723 /nfs/dbraw/zinc/43/17/23/571431723.db2.gz OPQISXXLWCDIEK-KLVSJSQUSA-N -1 0 592.298 7.267 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000110723691 571431817 /nfs/dbraw/zinc/43/18/17/571431817.db2.gz RZUKWTUBEPESCW-JQRJDVQMSA-N -1 0 606.325 7.657 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000110728756 571431863 /nfs/dbraw/zinc/43/18/63/571431863.db2.gz HGHOJEBKJAAEMG-FGZKNKNMSA-N -1 0 571.482 7.293 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000118918665 571444815 /nfs/dbraw/zinc/44/48/15/571444815.db2.gz UERBGZSPLHPNNH-RVKYSODGSA-N -1 0 521.654 5.225 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921706 571446430 /nfs/dbraw/zinc/44/64/30/571446430.db2.gz DUFLDRKJKWPJLH-OPARNWIMSA-N -1 0 570.771 5.692 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c([O-])c(Br)c1 ZINC000147137312 571456712 /nfs/dbraw/zinc/45/67/12/571456712.db2.gz JMISUWAZHVXWNQ-UHFFFAOYSA-N -1 0 523.265 5.890 40 30 KKEBRM Oc1ccc(Br)cc1/C=N\CCN1CCN(CC/N=C\c2cc(Br)ccc2O)C1c1cc(Br)ccc1O ZINC000150378957 571466699 /nfs/dbraw/zinc/46/66/99/571466699.db2.gz MPSBMKVQDPLADP-GMMGGFQHSA-N -1 0 695.250 5.945 40 30 KKEBRM Oc1ccc(Br)cc1/C=N/CCN1CCN(CC/N=C\c2cc(Br)ccc2O)C1c1cc(Br)ccc1O ZINC000150378959 571466818 /nfs/dbraw/zinc/46/68/18/571466818.db2.gz MPSBMKVQDPLADP-HWOVCRHXSA-N -1 0 695.250 5.945 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150382416 571467198 /nfs/dbraw/zinc/46/71/98/571467198.db2.gz MMNMBLZCLSBEMN-VGSQXBGSSA-N -1 0 664.521 7.354 40 30 KKEBRM CCCCCCCCCCCCCCCCCc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000150382558 571467358 /nfs/dbraw/zinc/46/73/58/571467358.db2.gz AQPRQSHMCOYYFU-GZDQVCINSA-N -1 0 743.009 10.715 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000150383657 571467945 /nfs/dbraw/zinc/46/79/45/571467945.db2.gz BAMPMGUURUICJS-XKJRVUDJSA-N -1 0 696.348 8.546 40 30 KKEBRM CCCCCCCCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000150384416 571468369 /nfs/dbraw/zinc/46/83/69/571468369.db2.gz YUKGLKFRLXSPCT-UHFFFAOYSA-N -1 0 747.880 10.573 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)c([N+](=O)[O-])c1 ZINC000150458086 571505279 /nfs/dbraw/zinc/50/52/79/571505279.db2.gz UXTUYTNQZRDUER-DPNNOFEESA-N -1 0 647.710 5.802 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150634476 571524129 /nfs/dbraw/zinc/52/41/29/571524129.db2.gz PTTMEGNGZOXLHD-LOUJJALRSA-N -1 0 632.330 6.731 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000150634086 571524167 /nfs/dbraw/zinc/52/41/67/571524167.db2.gz FFEWAGQZCATQNS-WOAKAZFHSA-N -1 0 646.357 7.121 40 30 KKEBRM [O-]c1c(Br)cc(/C=N/c2ccc3nc(Sc4nc(N5CCCCC5)nc(N5CCCCC5)n4)sc3c2)cc1Br ZINC000163446111 571535240 /nfs/dbraw/zinc/53/52/40/571535240.db2.gz NWFWQUNVYPAIGJ-OKCVXOCRSA-N -1 0 689.503 7.594 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000164307082 571545417 /nfs/dbraw/zinc/54/54/17/571545417.db2.gz VWBIUCZSQXHENQ-RTXYEHARSA-N -1 0 720.483 9.422 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000164327373 571545907 /nfs/dbraw/zinc/54/59/07/571545907.db2.gz ZLPGSAHBJBIJFR-WCMJOSRZSA-N -1 0 669.591 8.030 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164408892 571547535 /nfs/dbraw/zinc/54/75/35/571547535.db2.gz QQNXDIBMBSUDJU-DEDYPNTBSA-N -1 0 630.333 6.490 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000164461250 571548200 /nfs/dbraw/zinc/54/82/00/571548200.db2.gz LANADQLJPDJNDO-KEBDBYFISA-N -1 0 658.246 5.179 40 30 KKEBRM Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3s2)c(C)c1 ZINC000164522126 571549237 /nfs/dbraw/zinc/54/92/37/571549237.db2.gz PDLCSDXVBMFZTO-IPBVOBEMSA-N -1 0 713.404 7.618 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(SCc3ccc4c(c3)Cc3ccccc3-4)sc2c1 ZINC000164651790 571550242 /nfs/dbraw/zinc/55/02/42/571550242.db2.gz LVXDKWDZMAIUOT-XAZZYMPDSA-N -1 0 716.407 8.825 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000164705388 571550524 /nfs/dbraw/zinc/55/05/24/571550524.db2.gz YPJQBIPSVFLSET-KIBLKLHPSA-N -1 0 716.320 6.601 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)c([O-])c(Br)c3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000164705659 571550535 /nfs/dbraw/zinc/55/05/35/571550535.db2.gz LFIRTXGAQHRVDD-KIBLKLHPSA-N -1 0 622.320 6.917 40 30 KKEBRM CCCN(CCC)N=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263604135 572129485 /nfs/dbraw/zinc/12/94/85/572129485.db2.gz OHZIICRATCCRFN-ZCQXRJGISA-N -1 0 823.981 6.210 40 30 KKEBRM Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000408531950 572177984 /nfs/dbraw/zinc/17/79/84/572177984.db2.gz HPSONBCLHGNCTQ-HUWWCRDESA-N -1 0 504.344 5.774 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-] ZINC000408532661 572180504 /nfs/dbraw/zinc/18/05/04/572180504.db2.gz ONEBCMUFYVZFIR-OUGGDVFGSA-N -1 0 513.402 6.899 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408533615 572183939 /nfs/dbraw/zinc/18/39/39/572183939.db2.gz ZLPQSMIZVZMPQO-MTJSOVHGSA-N -1 0 543.826 6.271 40 30 KKEBRM O=C([O-])COc1c(Br)cc(Br)cc1/C=C1\S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000408533660 572183991 /nfs/dbraw/zinc/18/39/91/572183991.db2.gz ZSZJULADLQTAER-WPUXXTEHSA-N -1 0 657.167 7.790 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408534639 572186561 /nfs/dbraw/zinc/18/65/61/572186561.db2.gz VUNOMCPFGLHUOZ-PCYGFIDKSA-N -1 0 534.637 7.389 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408536859 572192686 /nfs/dbraw/zinc/19/26/86/572192686.db2.gz BLNAUIKMIVJBLA-ZHZULCJRSA-N -1 0 545.430 5.569 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000408537194 572193737 /nfs/dbraw/zinc/19/37/37/572193737.db2.gz COVZFIVDWLGJCA-XSFVSMFZSA-N -1 0 608.327 6.626 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000408538487 572198508 /nfs/dbraw/zinc/19/85/08/572198508.db2.gz NTLGXIUSHQVCKK-UYRXBGFRSA-N -1 0 505.398 6.105 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408538466 572198799 /nfs/dbraw/zinc/19/87/99/572198799.db2.gz NGZXEPWVALCBNJ-QNGOZBTKSA-N -1 0 515.006 5.850 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408539172 572200886 /nfs/dbraw/zinc/20/08/86/572200886.db2.gz UNIKVVUEKDEREW-BOPFTXTBSA-N -1 0 647.191 7.924 40 30 KKEBRM O=C([O-])C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl ZINC000245204357 572202008 /nfs/dbraw/zinc/20/20/08/572202008.db2.gz ADMOCDJEQJUWJY-ARQDHWQXSA-N -1 0 596.353 7.062 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408539813 572203427 /nfs/dbraw/zinc/20/34/27/572203427.db2.gz ZCLHKPLWDBLVJE-PGMHBOJBSA-N -1 0 544.402 5.763 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000408539861 572203860 /nfs/dbraw/zinc/20/38/60/572203860.db2.gz KEODVVIETJDXMN-AQTBWJFISA-N -1 0 537.871 7.361 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408540486 572205822 /nfs/dbraw/zinc/20/58/22/572205822.db2.gz SKJSPHIWVMHEFB-DEDYPNTBSA-N -1 0 563.876 6.517 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408541124 572207740 /nfs/dbraw/zinc/20/77/40/572207740.db2.gz XWUICWCXEIYBHU-HAVVHWLPSA-N -1 0 631.564 7.051 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)SC2=Nc2ccccc2)cc1 ZINC000408542707 572210476 /nfs/dbraw/zinc/21/04/76/572210476.db2.gz NMLSTYVXMLFUIY-SVTQXCJJSA-N -1 0 563.635 6.794 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)N2Cc2ccco2)cc1 ZINC000408543731 572213851 /nfs/dbraw/zinc/21/38/51/572213851.db2.gz SOFZULSEPXPQBC-YNPABRJASA-N -1 0 553.596 6.387 40 30 KKEBRM C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@@H]1O ZINC000252394291 572260248 /nfs/dbraw/zinc/26/02/48/572260248.db2.gz FMRFCBBDHDGKKZ-DJJHNKEGSA-N -1 0 600.837 6.294 40 30 KKEBRM C=CCOc1ccc(Br)cc1C=C(Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-] ZINC000408632141 572288444 /nfs/dbraw/zinc/28/84/44/572288444.db2.gz NTJYLEGSRAQESI-ZDLGFXPLSA-N -1 0 522.808 5.679 40 30 KKEBRM C#CCOc1c(Cl)cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1OC ZINC000408630505 572286167 /nfs/dbraw/zinc/28/61/67/572286167.db2.gz ATKJUXBLQYVJHP-ZDLGFXPLSA-N -1 0 506.367 5.026 40 30 KKEBRM CCCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408631159 572287123 /nfs/dbraw/zinc/28/71/23/572287123.db2.gz FNIKJRMZIBCJMD-ODLFYWEKSA-N -1 0 576.416 5.039 40 30 KKEBRM CCn1c(S/C(=C\c2cc(Br)ccc2OCc2ccccc2C#N)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631419 572287596 /nfs/dbraw/zinc/28/75/96/572287596.db2.gz DUKLIIZEWCRLAI-OYKKKHCWSA-N -1 0 595.906 7.049 40 30 KKEBRM C=CCOc1ccc(Br)cc1/C=C(\Sc1nnc(-c2cc(OC)cc(OC)c2)o1)C(=O)[O-] ZINC000408631456 572287604 /nfs/dbraw/zinc/28/76/04/572287604.db2.gz DXDXIJXYXSRNLM-ODLFYWEKSA-N -1 0 519.373 5.299 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C(=O)[O-])n[nH]2)c1 ZINC000408631576 572287691 /nfs/dbraw/zinc/28/76/91/572287691.db2.gz FSRZTEPKNKTMDP-MSXFZWOLSA-N -1 0 593.459 5.920 40 30 KKEBRM C=CCc1cc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408631922 572288163 /nfs/dbraw/zinc/28/81/63/572288163.db2.gz NGFVNVVAXAJILW-KGENOOAVSA-N -1 0 500.020 5.945 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccccc3OCc3ccc(C#N)cc3)C(=O)[O-])n[nH]2)c1 ZINC000408632487 572288868 /nfs/dbraw/zinc/28/88/68/572288868.db2.gz JEODBRLQSIIGQR-CFRMEGHHSA-N -1 0 514.563 5.157 40 30 KKEBRM N#Cc1ccccc1Cn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc21 ZINC000408633000 572289598 /nfs/dbraw/zinc/28/95/98/572289598.db2.gz ITEKMDJISQICAT-CFRMEGHHSA-N -1 0 512.978 6.482 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1OC ZINC000408633123 572289875 /nfs/dbraw/zinc/28/98/75/572289875.db2.gz LRGQQLIFCZLPRG-NHDPSOOVSA-N -1 0 576.469 5.536 40 30 KKEBRM C=CCOc1c(Br)cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1Br ZINC000408633318 572289925 /nfs/dbraw/zinc/28/99/25/572289925.db2.gz JVUMAOVOYIBUCH-YBEGLDIGSA-N -1 0 571.678 6.433 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1Br ZINC000408633396 572290052 /nfs/dbraw/zinc/29/00/52/572290052.db2.gz KIDWWIDVACAJKO-UUYOSTAYSA-N -1 0 506.381 5.994 40 30 KKEBRM C#CCOc1ccc(Br)cc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-] ZINC000408634225 572291239 /nfs/dbraw/zinc/29/12/39/572291239.db2.gz SHVBLWWDGAXEBW-ZDLGFXPLSA-N -1 0 521.776 5.391 40 30 KKEBRM N#Cc1ccc(Cn2cc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])c3ccccc32)cc1 ZINC000408634373 572291373 /nfs/dbraw/zinc/29/13/73/572291373.db2.gz QIAQZLCCYYUKKK-CFRMEGHHSA-N -1 0 511.994 6.218 40 30 KKEBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)C(=O)[O-])o2)c1 ZINC000408634461 572291514 /nfs/dbraw/zinc/29/15/14/572291514.db2.gz UXMTYHGCTGBHDB-ZMFRSBBQSA-N -1 0 538.585 5.846 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408728680 1069737168 /nfs/dbraw/zinc/73/71/68/1069737168.db2.gz RHOHLIWAPFXKOK-IPPBACCNSA-N -1 0 548.349 6.629 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccn3-c3ccccc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932447 1069756915 /nfs/dbraw/zinc/75/69/15/1069756915.db2.gz CDXDGMJDDBJRIT-WHQHWOLESA-N -1 0 509.587 5.988 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000408953035 1069762449 /nfs/dbraw/zinc/76/24/49/1069762449.db2.gz OAADCFYVVRZQJL-OEAKJJBVSA-N -1 0 553.434 6.017 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408960378 1069763307 /nfs/dbraw/zinc/76/33/07/1069763307.db2.gz LGTJMECSUQSIMX-NNEUGSMJSA-N -1 0 527.646 6.106 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408775831 1069880721 /nfs/dbraw/zinc/88/07/21/1069880721.db2.gz KFSKGMUQGAYEAE-CIAFOILYSA-N -1 0 600.296 7.038 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408773978 1069888646 /nfs/dbraw/zinc/88/86/46/1069888646.db2.gz NMFIQYIFKRBKEG-HYARGMPZSA-N -1 0 549.396 5.871 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408774072 1069888708 /nfs/dbraw/zinc/88/87/08/1069888708.db2.gz AFETVXVRQCTZMM-HYARGMPZSA-N -1 0 565.851 6.385 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000408775079 1069891748 /nfs/dbraw/zinc/89/17/48/1069891748.db2.gz YOJKNRSQFXZGDB-ZMFRSBBQSA-N -1 0 561.401 5.526 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408782646 1069907505 /nfs/dbraw/zinc/90/75/05/1069907505.db2.gz ILEYASDKVMBSBW-HZHRSRAPSA-N -1 0 517.925 5.222 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408784814 1069912194 /nfs/dbraw/zinc/91/21/94/1069912194.db2.gz VLLWVYMDMDLJNH-HYARGMPZSA-N -1 0 551.824 6.076 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408789134 1069917761 /nfs/dbraw/zinc/91/77/61/1069917761.db2.gz ODPCSKRQIQKTMW-GXMXPRDMSA-N -1 0 634.879 6.464 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408789539 1069918427 /nfs/dbraw/zinc/91/84/27/1069918427.db2.gz JXAATHFUQDJBOL-SILRWXEESA-N -1 0 602.304 6.723 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408786446 1069921636 /nfs/dbraw/zinc/92/16/36/1069921636.db2.gz KAXFLVJZVDACNB-MFKUBSTISA-N -1 0 514.553 5.425 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408787701 1069924470 /nfs/dbraw/zinc/92/44/70/1069924470.db2.gz FBLYOUYRZIDJLH-HOUKBVNESA-N -1 0 649.304 6.565 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4ccc(Br)cc4)NC3=O)cc2I)cc1 ZINC000408787369 1069924508 /nfs/dbraw/zinc/92/45/08/1069924508.db2.gz YUSGMNLDQURZJB-MTJSOVHGSA-N -1 0 635.277 6.223 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408788497 1069925055 /nfs/dbraw/zinc/92/50/55/1069925055.db2.gz DJYLXYHOGSJTLF-VGSQXBGSSA-N -1 0 664.521 7.354 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796458 1069929522 /nfs/dbraw/zinc/92/95/22/1069929522.db2.gz YFNOHQCHSPZAKI-ACUXHLBZSA-N -1 0 718.194 7.872 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408804165 1069949268 /nfs/dbraw/zinc/94/92/68/1069949268.db2.gz CRFVTHNGZUSDAR-HZHRSRAPSA-N -1 0 575.415 5.105 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408822465 1069983679 /nfs/dbraw/zinc/98/36/79/1069983679.db2.gz CBFIEYPAEVJOCL-OEAKJJBVSA-N -1 0 701.311 5.710 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408823971 1069989770 /nfs/dbraw/zinc/98/97/70/1069989770.db2.gz GCYBTBOMGICXJL-JNLVJSROSA-N -1 0 672.181 7.295 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408822058 1070000857 /nfs/dbraw/zinc/00/08/57/1070000857.db2.gz BBVJBYNSCHCBOS-OEAKJJBVSA-N -1 0 611.876 6.311 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408827361 1070006121 /nfs/dbraw/zinc/00/61/21/1070006121.db2.gz CSYCICYVBYXAAQ-VSXUNDGWSA-N -1 0 704.621 7.567 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000408834784 1070035249 /nfs/dbraw/zinc/03/52/49/1070035249.db2.gz VIUDGPKCAWROSJ-SRZZPIQSSA-N -1 0 630.278 6.022 40 30 KKEBRM C=CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408835728 1070038602 /nfs/dbraw/zinc/03/86/02/1070038602.db2.gz XVNVSSVXGUPXNN-HZHRSRAPSA-N -1 0 612.274 6.022 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000408840441 1070042677 /nfs/dbraw/zinc/04/26/77/1070042677.db2.gz GGHWVZFTSOLCHU-ACXHZZMFSA-N -1 0 514.603 6.178 40 30 KKEBRM O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(I)c([O-])c(I)c1)CCCC2 ZINC000408847139 1070055572 /nfs/dbraw/zinc/05/55/72/1070055572.db2.gz LTKGLGZADUUXBU-MRUKODCESA-N -1 0 632.261 5.815 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408856674 1070066819 /nfs/dbraw/zinc/06/68/19/1070066819.db2.gz QUHHNPSYJFIGCG-FYJGNVAPSA-N -1 0 578.477 6.012 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408857193 1070067403 /nfs/dbraw/zinc/06/74/03/1070067403.db2.gz SKNOMMPWQHYWRR-WGOQTCKBSA-N -1 0 528.580 5.815 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408855143 1070073794 /nfs/dbraw/zinc/07/37/94/1070073794.db2.gz DWWFHMPRMMOXEP-PXLXIMEGSA-N -1 0 581.521 6.839 40 30 KKEBRM Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S1 ZINC000408872642 1070098058 /nfs/dbraw/zinc/09/80/58/1070098058.db2.gz IAYRIBAQTGGVAT-NSIKDUERSA-N -1 0 502.615 5.771 40 30 KKEBRM CC[C@@H](C)N1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913255 1070191831 /nfs/dbraw/zinc/19/18/31/1070191831.db2.gz PQLFPELYKBHHLQ-NJYDWCNVSA-N -1 0 524.278 6.628 40 30 KKEBRM O=C([O-])COc1c(Br)cc(I)cc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000408917631 1070208706 /nfs/dbraw/zinc/20/87/06/1070208706.db2.gz YRJXWLKUFKZHNO-VZKCBHAQSA-N -1 0 639.265 5.914 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)S/C2=N/c2ccccc2)cc1 ZINC000408917875 1070209919 /nfs/dbraw/zinc/20/99/19/1070209919.db2.gz CFRQDGLFUXMDRN-ZWRUBHQPSA-N -1 0 591.508 7.696 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C(=O)N1C1CCCCC1 ZINC000408914591 1070214324 /nfs/dbraw/zinc/21/43/24/1070214324.db2.gz YNAKEKULPRFFMH-KPBLUWHNSA-N -1 0 573.509 6.420 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408916454 1070220070 /nfs/dbraw/zinc/22/00/70/1070220070.db2.gz COJZEAKSTSXYDA-BHCACWBCSA-N -1 0 693.619 9.082 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCC(=O)OC ZINC000408919488 1070235543 /nfs/dbraw/zinc/23/55/43/1070235543.db2.gz YPCCTUPXONVMOU-BNFGDHFKSA-N -1 0 546.601 5.140 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000408923610 1070241331 /nfs/dbraw/zinc/24/13/31/1070241331.db2.gz GVGSYWBDSIMRKZ-ZMFRSBBQSA-N -1 0 514.401 5.684 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931472 1070263330 /nfs/dbraw/zinc/26/33/30/1070263330.db2.gz MDHXYPNPQCFQJD-NOMMCYAHSA-N -1 0 527.429 6.813 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408930973 1070261649 /nfs/dbraw/zinc/26/16/49/1070261649.db2.gz FNGFJMIETWPCNW-HWFNXEOGSA-N -1 0 615.933 7.321 40 30 KKEBRM CCn1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000408930948 1070261696 /nfs/dbraw/zinc/26/16/96/1070261696.db2.gz FFXXLNYIKDIHHE-BVRLNOCPSA-N -1 0 511.603 6.172 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408932761 1070263844 /nfs/dbraw/zinc/26/38/44/1070263844.db2.gz DWNVCLFNNBIURU-UPLNZBPYSA-N -1 0 679.751 7.812 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCOCC4)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408936832 1070277883 /nfs/dbraw/zinc/27/78/83/1070277883.db2.gz PZARXZPQKABNED-WHQHWOLESA-N -1 0 529.618 5.034 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408937440 1070291480 /nfs/dbraw/zinc/29/14/80/1070291480.db2.gz QQMNOEAHHPSFDD-HRKJWMQXSA-N -1 0 557.455 6.821 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000408953448 1070312313 /nfs/dbraw/zinc/31/23/13/1070312313.db2.gz PQZPYSYQZWQOBS-OEAKJJBVSA-N -1 0 553.434 6.017 40 30 KKEBRM C=CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408952614 1070314869 /nfs/dbraw/zinc/31/48/69/1070314869.db2.gz OMBDQVGAKKXNIO-JFLMPSFJSA-N -1 0 505.618 5.962 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)S2)cc1 ZINC000408954637 1070318058 /nfs/dbraw/zinc/31/80/58/1070318058.db2.gz UGURRBSQXOOJKF-BUVRLJJBSA-N -1 0 553.036 6.306 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)o1 ZINC000408960167 1070323009 /nfs/dbraw/zinc/32/30/09/1070323009.db2.gz CXHVMNYOBLGGJR-ZSBARMHISA-N -1 0 531.634 5.280 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966388 1070326340 /nfs/dbraw/zinc/32/63/40/1070326340.db2.gz LIAZLVRAHBHIEF-VYSFGNMZSA-N -1 0 563.723 7.894 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3c(C)cc(C)cc3C)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408966480 1070326581 /nfs/dbraw/zinc/32/65/81/1070326581.db2.gz MVXLYXDOSBJPSG-AIBJQSSNSA-N -1 0 516.619 6.131 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408962996 1070328282 /nfs/dbraw/zinc/32/82/82/1070328282.db2.gz WZKCTZTVAVRCHS-OEAKJJBVSA-N -1 0 523.010 6.216 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408985281 1070345704 /nfs/dbraw/zinc/34/57/04/1070345704.db2.gz WGWXLIFPQNIGDP-UUYOSTAYSA-N -1 0 600.296 7.038 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409004265 1070379763 /nfs/dbraw/zinc/37/97/63/1070379763.db2.gz OXYMOIRGYCPTHA-PQHUPVKOSA-N -1 0 566.260 7.338 40 30 KKEBRM C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409041933 1070445914 /nfs/dbraw/zinc/44/59/14/1070445914.db2.gz LCXSAZBQMWQKFX-HYARGMPZSA-N -1 0 610.258 5.469 40 30 KKEBRM C=CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409043747 1070450304 /nfs/dbraw/zinc/45/03/04/1070450304.db2.gz AGVIYIKELMEIJK-UHFFFAOYSA-N -1 0 532.464 6.328 40 30 KKEBRM C=CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409047502 1070458841 /nfs/dbraw/zinc/45/88/41/1070458841.db2.gz OBKCKMWAIYTMKA-UHFFFAOYSA-N -1 0 565.258 5.274 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409060280 1070472704 /nfs/dbraw/zinc/47/27/04/1070472704.db2.gz ZEVXJJAJHGPAEP-UHFFFAOYSA-N -1 0 721.486 8.714 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409059674 1070472230 /nfs/dbraw/zinc/47/22/30/1070472230.db2.gz WOXGEBQFWMCMNF-UHFFFAOYSA-N -1 0 560.861 6.724 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000409065644 1070481934 /nfs/dbraw/zinc/48/19/34/1070481934.db2.gz JZPMSSCKNYFLJF-UHFFFAOYSA-N -1 0 604.508 5.958 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409065972 1070482632 /nfs/dbraw/zinc/48/26/32/1070482632.db2.gz OEFHZLGRLAGHHR-XQNSMLJCSA-N -1 0 595.073 5.518 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(F)cc1 ZINC000409075149 1070488364 /nfs/dbraw/zinc/48/83/64/1070488364.db2.gz PAGOEUNLKOAVLB-UHFFFAOYSA-N -1 0 615.742 7.302 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409069783 1070494665 /nfs/dbraw/zinc/49/46/65/1070494665.db2.gz AFKWPCBYIRRMMS-UHFFFAOYSA-N -1 0 769.936 7.793 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-] ZINC000409070225 1070495733 /nfs/dbraw/zinc/49/57/33/1070495733.db2.gz LCJAVDZMJTWXNW-UHFFFAOYSA-N -1 0 543.660 6.044 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071158 1070497111 /nfs/dbraw/zinc/49/71/11/1070497111.db2.gz FHFBFYMDJIVSHL-UHFFFAOYSA-N -1 0 712.681 9.011 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071164 1070497134 /nfs/dbraw/zinc/49/71/34/1070497134.db2.gz FLTYMETWJDUDGZ-UHFFFAOYSA-N -1 0 641.805 7.423 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccccc1F ZINC000409073000 1070499215 /nfs/dbraw/zinc/49/92/15/1070499215.db2.gz WTBHIIHDYOAFEC-UHFFFAOYSA-N -1 0 559.634 6.030 40 30 KKEBRM CCCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409073801 1070500489 /nfs/dbraw/zinc/50/04/89/1070500489.db2.gz IPFPDGCNDCXSDM-UHFFFAOYSA-N -1 0 637.409 7.161 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409079914 1070501550 /nfs/dbraw/zinc/50/15/50/1070501550.db2.gz GXMPQCMFXIOFFH-MTRPASKASA-N -1 0 687.645 9.823 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000409080652 1070502534 /nfs/dbraw/zinc/50/25/34/1070502534.db2.gz NOKGNZCJBIJBII-YEPNVVQFSA-N -1 0 664.375 8.297 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085906 1070512528 /nfs/dbraw/zinc/51/25/28/1070512528.db2.gz TYKZBGVAUQZNRN-UHFFFAOYSA-N -1 0 735.550 8.337 40 30 KKEBRM Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409085338 1070511725 /nfs/dbraw/zinc/51/17/25/1070511725.db2.gz ZFKKYUYWOUXUFX-WPWXZPGNSA-N -1 0 588.173 8.661 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(I)c([O-])c(I)c3)c2C(=O)NCc2ccco2)C1 ZINC000409088208 1070521823 /nfs/dbraw/zinc/52/18/23/1070521823.db2.gz WCEWXNVIMLLIOF-WFIBAECOSA-N -1 0 688.369 7.088 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092231 1070528139 /nfs/dbraw/zinc/52/81/39/1070528139.db2.gz UEANNKSSPPRMJZ-UHFFFAOYSA-N -1 0 726.442 6.907 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409240065 1070655470 /nfs/dbraw/zinc/65/54/70/1070655470.db2.gz PKAXHAZQFAZLLM-GYLBKSORSA-N -1 0 611.514 6.758 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)SC2=Nc2ccccc2)cc1 ZINC000409243330 1070671284 /nfs/dbraw/zinc/67/12/84/1070671284.db2.gz XTGIHSYJUXGDLA-YHEUAIPESA-N -1 0 509.587 5.988 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)[O-] ZINC000409276929 1070701317 /nfs/dbraw/zinc/70/13/17/1070701317.db2.gz YCTCMLXVGJIIMP-UHFFFAOYSA-N -1 0 623.325 5.041 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409274227 1070714557 /nfs/dbraw/zinc/71/45/57/1070714557.db2.gz CCZUHDPXMBXTPS-UHFFFAOYSA-N -1 0 563.452 5.508 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409275972 1070720314 /nfs/dbraw/zinc/72/03/14/1070720314.db2.gz NLMRSOOITPEGII-NSHDSACASA-N -1 0 646.130 5.379 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409285891 1070722293 /nfs/dbraw/zinc/72/22/93/1070722293.db2.gz PDAKDXAQUOPACH-UHFFFAOYSA-N -1 0 698.614 8.215 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279135 1070726486 /nfs/dbraw/zinc/72/64/86/1070726486.db2.gz GNDYQXOCWDLGNZ-UHFFFAOYSA-N -1 0 615.642 6.715 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409281679 1070732140 /nfs/dbraw/zinc/73/21/40/1070732140.db2.gz NTJWVRFWCDRMED-SFHVURJKSA-N -1 0 578.463 6.001 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1C(C)C ZINC000409283059 1070735859 /nfs/dbraw/zinc/73/58/59/1070735859.db2.gz QACWERRFQNMAMY-UHFFFAOYSA-N -1 0 605.691 7.062 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)c(Br)cc1OCC(=O)[O-] ZINC000409283653 1070737462 /nfs/dbraw/zinc/73/74/62/1070737462.db2.gz SDSWWPKFVRRZER-UHFFFAOYSA-N -1 0 622.516 6.401 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c([O-])c(I)c2)cc1C(C)C ZINC000409293502 1070747818 /nfs/dbraw/zinc/74/78/18/1070747818.db2.gz KMTFVWCTDWNJJX-UHFFFAOYSA-N -1 0 679.296 6.301 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc(OC)c3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409294430 1070750393 /nfs/dbraw/zinc/75/03/93/1070750393.db2.gz AMTKQWUXZDNABA-UHFFFAOYSA-N -1 0 654.473 6.749 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409287073 1070754009 /nfs/dbraw/zinc/75/40/09/1070754009.db2.gz YESYKFYCSBFGBM-UHFFFAOYSA-N -1 0 571.771 5.188 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409296452 1070766633 /nfs/dbraw/zinc/76/66/33/1070766633.db2.gz IGDMKEZWQXEXHK-NSHDSACASA-N -1 0 571.653 5.432 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409296773 1070767832 /nfs/dbraw/zinc/76/78/32/1070767832.db2.gz JAKZZMYAEGHPFP-UHFFFAOYSA-N -1 0 521.415 5.579 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409297924 1070770114 /nfs/dbraw/zinc/77/01/14/1070770114.db2.gz YBBQJCQWHCGVSZ-UHFFFAOYSA-N -1 0 654.561 7.816 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)cc([N+](=O)[O-])c1[O-] ZINC000409300618 1070776156 /nfs/dbraw/zinc/77/61/56/1070776156.db2.gz XMELRXFOJSDGIK-UHFFFAOYSA-N -1 0 530.581 5.789 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409299512 1070773625 /nfs/dbraw/zinc/77/36/25/1070773625.db2.gz SURLYGDDPJKPCU-UHFFFAOYSA-N -1 0 579.009 5.801 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn([C@@H](C)C(=O)[O-])c3ccccc23)cc1C(C)C ZINC000409300579 1070776331 /nfs/dbraw/zinc/77/63/31/1070776331.db2.gz ZXFWBNYCVFRJTQ-FQEVSTJZSA-N -1 0 522.605 5.986 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409301335 1070778271 /nfs/dbraw/zinc/77/82/71/1070778271.db2.gz ATMLQBCEYMKUTA-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409301485 1070778314 /nfs/dbraw/zinc/77/83/14/1070778314.db2.gz CNDMCTLKYGVPEK-KRWDZBQOSA-N -1 0 657.359 6.763 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1 ZINC000409301822 1070779510 /nfs/dbraw/zinc/77/95/10/1070779510.db2.gz GQMHVYPGABRWLO-UHFFFAOYSA-N -1 0 639.344 7.129 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2I)cc1 ZINC000409304202 1070784328 /nfs/dbraw/zinc/78/43/28/1070784328.db2.gz JHMYHZZLKYQAQD-UHFFFAOYSA-N -1 0 720.317 7.336 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC000409319706 1070805772 /nfs/dbraw/zinc/80/57/72/1070805772.db2.gz KNZWUBZFGYAOJO-UHFFFAOYSA-N -1 0 663.750 6.695 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409315089 1070816696 /nfs/dbraw/zinc/81/66/96/1070816696.db2.gz NDZLYOLZTRJZGO-UHFFFAOYSA-N -1 0 579.407 5.569 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409316303 1070819013 /nfs/dbraw/zinc/81/90/13/1070819013.db2.gz MBKBGVWMFSXXNQ-ZDUSSCGKSA-N -1 0 629.733 6.050 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=N)s1 ZINC000409333949 1070839696 /nfs/dbraw/zinc/83/96/96/1070839696.db2.gz GHTMKVNSYSNVPQ-NTSYAULNSA-N -1 0 527.502 7.137 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409324694 1070841092 /nfs/dbraw/zinc/84/10/92/1070841092.db2.gz UWRYCVCFMDRWJB-UHFFFAOYSA-N -1 0 534.410 5.661 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)N2C)cc1 ZINC000408907062 1070891917 /nfs/dbraw/zinc/89/19/17/1070891917.db2.gz LJCNEUJHCMTUNF-BTXRRSKUSA-N -1 0 576.197 5.144 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000409374399 1070897590 /nfs/dbraw/zinc/89/75/90/1070897590.db2.gz OOPGKKVOPCLPLP-OEAKJJBVSA-N -1 0 612.420 5.252 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408905895 1070897707 /nfs/dbraw/zinc/89/77/07/1070897707.db2.gz GDUZGYQZFNIBJZ-KPKCGWESSA-N -1 0 580.444 5.394 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409400976 1070915564 /nfs/dbraw/zinc/91/55/64/1070915564.db2.gz BJMDEYAXCBWSAO-UHFFFAOYSA-N -1 0 505.530 5.232 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408910377 1070969407 /nfs/dbraw/zinc/96/94/07/1070969407.db2.gz JVBNBDFHQVPBMX-WDHOPVFISA-N -1 0 628.488 6.579 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1c(C)cccc1C ZINC000408907597 1070989757 /nfs/dbraw/zinc/98/97/57/1070989757.db2.gz NXGJAJFOUALZPR-XFNLHSONSA-N -1 0 510.251 6.158 40 30 KKEBRM COC(=O)COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1I ZINC000408917150 1070992461 /nfs/dbraw/zinc/99/24/61/1070992461.db2.gz NVNPKGZSEHMDLB-SLOBHAQXSA-N -1 0 628.444 5.345 40 30 KKEBRM C=C(C)[C@H]1C[C@@H](c2cccc(Cl)c2)[C@H](C(C)C)O[C@@H]1c1cc(OCc2ccccc2)ccc1OCC(=O)[O-] ZINC000585264421 1070993641 /nfs/dbraw/zinc/99/36/41/1070993641.db2.gz BKCHTBSNYSHFEI-ZYMFSFAHSA-N -1 0 535.080 7.845 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408916863 1070995455 /nfs/dbraw/zinc/99/54/55/1070995455.db2.gz HMXPDQKNKJSQON-ZKMJAMJUSA-N -1 0 680.520 7.364 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2F)[C@@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585265583 1070995686 /nfs/dbraw/zinc/99/56/86/1070995686.db2.gz KODTZJKXSWWFTG-NCFYCBOVSA-N -1 0 509.017 7.511 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408916928 1070996053 /nfs/dbraw/zinc/99/60/53/1070996053.db2.gz IXIBFUNOVYUYDN-UKSGTAMRSA-N -1 0 646.096 7.008 40 30 KKEBRM Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000408916512 1071000557 /nfs/dbraw/zinc/00/05/57/1071000557.db2.gz DRPWIFDGGKNAHE-DNSOMCPUSA-N -1 0 613.533 7.839 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408916281 1071001358 /nfs/dbraw/zinc/00/13/58/1071001358.db2.gz AYXZNBXWHCCIED-NPRYOXITSA-N -1 0 703.412 8.165 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408915395 1071007859 /nfs/dbraw/zinc/00/78/59/1071007859.db2.gz XYMQUKHCYFJXDC-BPRICDSQSA-N -1 0 559.482 6.166 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408912190 1071024528 /nfs/dbraw/zinc/02/45/28/1071024528.db2.gz PXBCMHXJFWHAFV-PFOCICSFSA-N -1 0 580.444 5.332 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408912422 1071024575 /nfs/dbraw/zinc/02/45/75/1071024575.db2.gz QRURDACCRJVYKU-JVWAILMASA-N -1 0 536.559 5.961 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408919091 1071124355 /nfs/dbraw/zinc/12/43/55/1071124355.db2.gz SNNPJRPHGQUKRV-JKJRGFFSSA-N -1 0 619.526 8.083 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408918925 1071125458 /nfs/dbraw/zinc/12/54/58/1071125458.db2.gz QRLHXPCEYYDJBA-ZWRUBHQPSA-N -1 0 624.456 5.814 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408919030 1071126837 /nfs/dbraw/zinc/12/68/37/1071126837.db2.gz RUKJBRVMYUCOAD-KINCXPHCSA-N -1 0 647.522 7.678 40 30 KKEBRM Cc1cccc(Cn2cc(/C=C3\S/C(=N/c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c3ccccc32)c1 ZINC000408918335 1071134723 /nfs/dbraw/zinc/13/47/23/1071134723.db2.gz JIXIFCMKFZNDRQ-UCAUSMPDSA-N -1 0 557.675 7.500 40 30 KKEBRM CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1 ZINC000408918082 1071139699 /nfs/dbraw/zinc/13/96/99/1071139699.db2.gz FVWNGCFCUZETTB-RTJRSLRCSA-N -1 0 515.635 6.044 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408917360 1071148439 /nfs/dbraw/zinc/14/84/39/1071148439.db2.gz RWERMHDAZTZHFC-QSZXSEHGSA-N -1 0 550.636 6.777 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408917384 1071149119 /nfs/dbraw/zinc/14/91/19/1071149119.db2.gz SLOJLYUEGVWISI-CIRBIFNISA-N -1 0 617.098 7.959 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OC(C)C)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931649 1071150549 /nfs/dbraw/zinc/15/05/49/1071150549.db2.gz ONKHRGNOIQSXMT-QKSAGWNYSA-N -1 0 581.488 6.747 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931728 1071151102 /nfs/dbraw/zinc/15/11/02/1071151102.db2.gz PMIQZJDIFGJGNF-VHOCVAHHSA-N -1 0 545.016 7.111 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OC(C)C)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931297 1071152423 /nfs/dbraw/zinc/15/24/23/1071152423.db2.gz JRRBXMLYJZOGBD-TXOYAAFXSA-N -1 0 502.592 5.985 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408931208 1071153812 /nfs/dbraw/zinc/15/38/12/1071153812.db2.gz IMRFZIOJZSHMIW-WWNVJBMMSA-N -1 0 530.675 6.147 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930762 1071157676 /nfs/dbraw/zinc/15/76/76/1071157676.db2.gz BTFHVNNBKLJTMK-JDCFMJBPSA-N -1 0 669.586 9.237 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)S/C1=N/c1ccccc1 ZINC000408929642 1071169568 /nfs/dbraw/zinc/16/95/68/1071169568.db2.gz LYUUASIOGAXKBJ-MBGKWCLDSA-N -1 0 571.482 6.911 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408929031 1071176637 /nfs/dbraw/zinc/17/66/37/1071176637.db2.gz OYZDSVBVSPISQK-YLXXDCCASA-N -1 0 687.410 6.559 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935772 1071220283 /nfs/dbraw/zinc/22/02/83/1071220283.db2.gz NQHIEMMKWHLIQU-DQLZYPLSSA-N -1 0 555.631 6.744 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408934806 1071229138 /nfs/dbraw/zinc/22/91/38/1071229138.db2.gz MOZJUALQAYKTEA-BLGMPFDXSA-N -1 0 585.081 7.430 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408933387 1071241877 /nfs/dbraw/zinc/24/18/77/1071241877.db2.gz JEJSDBAIZYYJKR-NABAOXFLSA-N -1 0 572.426 6.721 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccc(OC)c3OC)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933195 1071242522 /nfs/dbraw/zinc/24/25/22/1071242522.db2.gz IIKYNPWIHTXBEF-QASNHJAJSA-N -1 0 504.564 5.215 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\C=C\c3ccc(N(C)C)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933220 1071243136 /nfs/dbraw/zinc/24/31/36/1071243136.db2.gz INVLDSQWMVUHGB-LSWJZCIRSA-N -1 0 513.619 5.820 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708685 1071244102 /nfs/dbraw/zinc/24/41/02/1071244102.db2.gz DKMYDIABRQCUJB-HZRSJKMUSA-N -1 0 529.680 6.633 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933079 1071244378 /nfs/dbraw/zinc/24/43/78/1071244378.db2.gz HHIVIKQAEAWXNN-KELHKHCHSA-N -1 0 647.522 7.678 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708856 1071244436 /nfs/dbraw/zinc/24/44/36/1071244436.db2.gz RFZZKFXBDHICTM-NAHYFOQLSA-N -1 0 543.707 7.023 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708832 1071244456 /nfs/dbraw/zinc/24/44/56/1071244456.db2.gz AIZCEILBCLITCZ-DWGAWOTKSA-N -1 0 527.708 7.317 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408932706 1071250136 /nfs/dbraw/zinc/25/01/36/1071250136.db2.gz DQNOCZBGYCVJNQ-QHMIWGDOSA-N -1 0 708.030 8.591 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(OC)c(O)cc3Br)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932376 1071252569 /nfs/dbraw/zinc/25/25/69/1071252569.db2.gz WJSRTRQYPOKYQW-BODQOEBBSA-N -1 0 569.433 5.674 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408932430 1071252495 /nfs/dbraw/zinc/25/24/95/1071252495.db2.gz CCOLFFPKPJDMNZ-QHMIWGDOSA-N -1 0 691.575 8.077 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408932850 1071248236 /nfs/dbraw/zinc/24/82/36/1071248236.db2.gz ZZHMDPYLDFQUSW-BEUGWDGGSA-N -1 0 624.513 6.024 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408932693 1071249468 /nfs/dbraw/zinc/24/94/68/1071249468.db2.gz DORHKQRZSRZAHL-ICEIDMMXSA-N -1 0 615.933 7.321 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408932281 1071253508 /nfs/dbraw/zinc/25/35/08/1071253508.db2.gz BVQQTMAWSYQMFA-XNXLFWIOSA-N -1 0 629.134 7.829 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408943820 1071290157 /nfs/dbraw/zinc/29/01/57/1071290157.db2.gz MFKMYAVCINDROJ-JQDPYBPBSA-N -1 0 542.060 7.250 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408941304 1071309997 /nfs/dbraw/zinc/30/99/97/1071309997.db2.gz VMBQFEPAPKTKGE-YSKQPDFISA-N -1 0 631.548 7.820 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408939139 1071326295 /nfs/dbraw/zinc/32/62/95/1071326295.db2.gz IAOHPPJLAMFCOW-OCKHKDLRSA-N -1 0 520.825 6.644 40 30 KKEBRM C=CCCCCON=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263601549 1071324178 /nfs/dbraw/zinc/32/41/78/1071324178.db2.gz LGOYXFPCQQSAPK-LSHQPIEKSA-N -1 0 822.949 6.461 40 30 KKEBRM C=CCCCCON=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263601550 1071324227 /nfs/dbraw/zinc/32/42/27/1071324227.db2.gz LGOYXFPCQQSAPK-YRCKNGSBSA-N -1 0 822.949 6.461 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408950836 1071354841 /nfs/dbraw/zinc/35/48/41/1071354841.db2.gz GLWPNQXQNYHFML-OEAKJJBVSA-N -1 0 539.009 5.916 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408949658 1071359753 /nfs/dbraw/zinc/35/97/53/1071359753.db2.gz IPNDOJKEEHYQTJ-FDALDRLYSA-N -1 0 666.818 8.680 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(OC)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408950152 1071356747 /nfs/dbraw/zinc/35/67/47/1071356747.db2.gz DQQMZSUDVWVZID-NNEUGSMJSA-N -1 0 539.613 5.997 40 30 KKEBRM C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408955951 1071382320 /nfs/dbraw/zinc/38/23/20/1071382320.db2.gz VIYDJTIUHHAWID-STBIYBPSSA-N -1 0 564.682 5.960 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408954606 1071390825 /nfs/dbraw/zinc/39/08/25/1071390825.db2.gz RXGJRKROFFROQB-CVKSISIWSA-N -1 0 524.617 5.232 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408692210 1071395325 /nfs/dbraw/zinc/39/53/25/1071395325.db2.gz HDZHSYAACYPANQ-HZHRSRAPSA-N -1 0 553.453 5.560 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408953295 1071397518 /nfs/dbraw/zinc/39/75/18/1071397518.db2.gz PNZPWKZFXFQQCW-WCMJOSRZSA-N -1 0 601.703 6.670 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408967089 1071401661 /nfs/dbraw/zinc/40/16/61/1071401661.db2.gz PTWLROGVOBGDAQ-CAOOACKPSA-N -1 0 513.019 5.268 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408964092 1071419974 /nfs/dbraw/zinc/41/99/74/1071419974.db2.gz FTOGZKUBXWEWGI-CIAFOILYSA-N -1 0 622.324 7.323 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408963958 1071420761 /nfs/dbraw/zinc/42/07/61/1071420761.db2.gz DWRMNDSVADJCQH-LPYMAVHISA-N -1 0 569.433 5.635 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)cc2Br)c1 ZINC000408960922 1071431076 /nfs/dbraw/zinc/43/10/76/1071431076.db2.gz JLGYLBRWHHHCKD-CIAFOILYSA-N -1 0 527.371 5.757 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408960719 1071431207 /nfs/dbraw/zinc/43/12/07/1071431207.db2.gz IBCBLPYNAQTRSC-KSVGNYRWSA-N -1 0 517.607 5.414 40 30 KKEBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1C ZINC000408960287 1071433658 /nfs/dbraw/zinc/43/36/58/1071433658.db2.gz KSVGUNZAAIETIL-XMFBMUJDSA-N -1 0 579.722 7.476 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408967909 1071465079 /nfs/dbraw/zinc/46/50/79/1071465079.db2.gz XZUPRZGTYWQBEP-OEAKJJBVSA-N -1 0 523.010 6.216 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C(=O)[O-])c4)N(CC)C3=O)c2C)c1 ZINC000408967486 1071467081 /nfs/dbraw/zinc/46/70/81/1071467081.db2.gz SHFGJAVOZZWYAZ-VYKPKEDGSA-N -1 0 517.607 5.593 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408984689 1071507650 /nfs/dbraw/zinc/50/76/50/1071507650.db2.gz SOFWYMRUCZTBQL-JLPGSUDCSA-N -1 0 545.433 5.985 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408983452 1071516703 /nfs/dbraw/zinc/51/67/03/1071516703.db2.gz MFJGHGGBYAOPOC-QRVIBDJDSA-N -1 0 614.323 7.292 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408981441 1071534339 /nfs/dbraw/zinc/53/43/39/1071534339.db2.gz BHTNJOKKQRBELR-UUYOSTAYSA-N -1 0 530.964 5.351 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408992586 1071572087 /nfs/dbraw/zinc/57/20/87/1071572087.db2.gz UFIYMYCBCGJVED-COEJQBHMSA-N -1 0 560.650 6.775 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408990578 1071587276 /nfs/dbraw/zinc/58/72/76/1071587276.db2.gz OECLANQCLXQMMN-JJFYIABZSA-N -1 0 585.871 6.938 40 30 KKEBRM N#Cc1c(/N=C/c2cc(I)c([O-])c(I)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408728849 1071595247 /nfs/dbraw/zinc/59/52/47/1071595247.db2.gz VNDOGIXDPRUWRL-CCVNUDIWSA-N -1 0 616.196 7.151 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)S2)ccc1Cl ZINC000408989812 1071595325 /nfs/dbraw/zinc/59/53/25/1071595325.db2.gz JAERZZNNZYVQRD-YVLHZVERSA-N -1 0 514.009 6.284 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408988310 1071606216 /nfs/dbraw/zinc/60/62/16/1071606216.db2.gz HPNUAVQXYRTXHX-JLPGSUDCSA-N -1 0 514.553 5.371 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1Cl ZINC000408988077 1071609203 /nfs/dbraw/zinc/60/92/03/1071609203.db2.gz GUOAUBVROOAXHN-NHDPSOOVSA-N -1 0 550.796 5.528 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408987491 1071613407 /nfs/dbraw/zinc/61/34/07/1071613407.db2.gz OWNKUCHYTXAXPX-ITYLOYPMSA-N -1 0 510.590 5.622 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408997231 1071614457 /nfs/dbraw/zinc/61/44/57/1071614457.db2.gz MDHROLBNOAOTTR-HAHDFKILSA-N -1 0 627.456 6.112 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C1=O ZINC000409006978 1071623240 /nfs/dbraw/zinc/62/32/40/1071623240.db2.gz MHDRRHFHWABHPU-YSMPRRRNSA-N -1 0 666.546 6.295 40 30 KKEBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Cl)c(C(=O)[O-])c3)c2-c2ccccc2)cc1 ZINC000408741914 1071623892 /nfs/dbraw/zinc/62/38/92/1071623892.db2.gz SLGYFTVBHCPSJS-XICOUIIWSA-N -1 0 549.026 8.090 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408740248 1071631445 /nfs/dbraw/zinc/63/14/45/1071631445.db2.gz FETOMKSKUVDCOC-RGVLZGJSSA-N -1 0 552.837 5.384 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409001124 1071646632 /nfs/dbraw/zinc/64/66/32/1071646632.db2.gz HAQPLHZZNYLSQB-JLPGSUDCSA-N -1 0 671.509 6.511 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408752683 1071663715 /nfs/dbraw/zinc/66/37/15/1071663715.db2.gz JHQMGHGZELTQMU-MTJSOVHGSA-N -1 0 524.440 6.063 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408752449 1071663761 /nfs/dbraw/zinc/66/37/61/1071663761.db2.gz ARTRNPYWNWILLY-LPYMAVHISA-N -1 0 600.296 7.038 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408748690 1071689469 /nfs/dbraw/zinc/68/94/69/1071689469.db2.gz GLRDZQXNXLSWLF-GIDUJCDVSA-N -1 0 532.199 5.120 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408760711 1071695760 /nfs/dbraw/zinc/69/57/60/1071695760.db2.gz DPKFDIWHZVNBJW-HZHRSRAPSA-N -1 0 657.302 6.336 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408760558 1071696434 /nfs/dbraw/zinc/69/64/34/1071696434.db2.gz AUBVXFCCRJPCNE-WPWMEQJKSA-N -1 0 611.492 6.893 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408757525 1071712547 /nfs/dbraw/zinc/71/25/47/1071712547.db2.gz ZESWSHGOLMCQQH-VXLYETTFSA-N -1 0 537.439 5.381 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)cc(C)c1Br ZINC000408766188 1071720133 /nfs/dbraw/zinc/72/01/33/1071720133.db2.gz SIVURHODVHTZLS-JAIQZWGSSA-N -1 0 511.397 6.224 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000409021809 1071721861 /nfs/dbraw/zinc/72/18/61/1071721861.db2.gz ZPPNRLWZRKJAGC-DSMCOZGQSA-N -1 0 535.581 6.329 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408765597 1071723225 /nfs/dbraw/zinc/72/32/25/1071723225.db2.gz MLVJDMIXUUQEAW-UCQKPKSFSA-N -1 0 537.435 6.180 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408765724 1071723374 /nfs/dbraw/zinc/72/33/74/1071723374.db2.gz NLFOCHLCJLPRAS-XKZIYDEJSA-N -1 0 710.331 6.627 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc(I)c1OCC(=O)[O-] ZINC000408765111 1071726016 /nfs/dbraw/zinc/72/60/16/1071726016.db2.gz WKTKISOKENNRCC-PXNMLYILSA-N -1 0 617.259 5.034 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000409018591 1071732648 /nfs/dbraw/zinc/73/26/48/1071732648.db2.gz HUBNGXGLGZDOEY-ZMVNKOIVSA-N -1 0 509.628 5.161 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408761799 1071738155 /nfs/dbraw/zinc/73/81/55/1071738155.db2.gz HRQACTZFQYYYGZ-PXLXIMEGSA-N -1 0 565.851 6.385 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409018427 1071733185 /nfs/dbraw/zinc/73/31/85/1071733185.db2.gz VHNQBWDVWXCROQ-DLCNMLRHSA-N -1 0 680.564 7.829 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408761343 1071740802 /nfs/dbraw/zinc/74/08/02/1071740802.db2.gz IQRPUSGJTYGOKA-YDZHTSKRSA-N -1 0 508.983 5.826 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408776082 1071751853 /nfs/dbraw/zinc/75/18/53/1071751853.db2.gz UACMSEMHHGYGCR-OVVQPSECSA-N -1 0 522.988 6.467 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408776622 1071749012 /nfs/dbraw/zinc/74/90/12/1071749012.db2.gz XMSMNWFJDFTHQA-NTUHNPAUSA-N -1 0 559.722 5.361 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408776434 1071749409 /nfs/dbraw/zinc/74/94/09/1071749409.db2.gz OSWHMJUQSUUKQZ-WSDLNYQXSA-N -1 0 575.415 5.460 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c([O-])c(Br)c1 ZINC000409034993 1071754954 /nfs/dbraw/zinc/75/49/54/1071754954.db2.gz OVQORALNJFRBPK-UHFFFAOYSA-N -1 0 613.390 7.803 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408775411 1071754979 /nfs/dbraw/zinc/75/49/79/1071754979.db2.gz GNVHVHWMIKQXLE-NDZAJKAJSA-N -1 0 560.650 6.829 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409281157 1071755616 /nfs/dbraw/zinc/75/56/16/1071755616.db2.gz KOBUNCUQUQZDTG-UHFFFAOYSA-N -1 0 644.276 6.113 40 30 KKEBRM COc1ccc(/C=C2\SC(=Nc3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)NC2=O)cc1C(=O)[O-] ZINC000408775186 1071756779 /nfs/dbraw/zinc/75/67/79/1071756779.db2.gz ZOFIRSLEEFGWAD-DQVYSVBZSA-N -1 0 601.728 7.163 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408774688 1071759444 /nfs/dbraw/zinc/75/94/44/1071759444.db2.gz QDRBFMXYUBWKGG-VUTHCHCSSA-N -1 0 516.597 6.431 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408774005 1071764599 /nfs/dbraw/zinc/76/45/99/1071764599.db2.gz NSBWESLIVZSPLP-VUTHCHCSSA-N -1 0 546.623 6.521 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409280585 1071765055 /nfs/dbraw/zinc/76/50/55/1071765055.db2.gz KPOSMTBZBJOBCA-UHFFFAOYSA-N -1 0 575.246 6.188 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)o2)c1 ZINC000409280624 1071766243 /nfs/dbraw/zinc/76/62/43/1071766243.db2.gz KLFGHQBYVINYSU-UHFFFAOYSA-N -1 0 588.801 7.066 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409280383 1071766810 /nfs/dbraw/zinc/76/68/10/1071766810.db2.gz JYWMWIWAPVGAHQ-UHFFFAOYSA-N -1 0 550.409 5.280 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409280423 1071767318 /nfs/dbraw/zinc/76/73/18/1071767318.db2.gz BHZIHWUKXRSRFP-UHFFFAOYSA-N -1 0 585.798 5.442 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409280505 1071768987 /nfs/dbraw/zinc/76/89/87/1071768987.db2.gz KFSLYWTVJKPDFR-CQSZACIVSA-N -1 0 734.195 7.230 40 30 KKEBRM C[C@@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc21 ZINC000409280326 1071771026 /nfs/dbraw/zinc/77/10/26/1071771026.db2.gz KWNGRIANDLMONT-INIZCTEOSA-N -1 0 510.937 5.946 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409280372 1071771560 /nfs/dbraw/zinc/77/15/60/1071771560.db2.gz BEHRKHLXGFKZKV-UHFFFAOYSA-N -1 0 584.854 6.104 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)cc1 ZINC000408772277 1071775719 /nfs/dbraw/zinc/77/57/19/1071775719.db2.gz NOFSKKGZKHHHDB-KEBDBYFISA-N -1 0 506.345 5.419 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409279901 1071778930 /nfs/dbraw/zinc/77/89/30/1071778930.db2.gz IYGAQICOXMCYTF-UHFFFAOYSA-N -1 0 685.474 6.972 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408771355 1071781286 /nfs/dbraw/zinc/78/12/86/1071781286.db2.gz HLQOELYDRJFLOU-BUVRLJJBSA-N -1 0 514.553 5.425 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409279576 1071783315 /nfs/dbraw/zinc/78/33/15/1071783315.db2.gz IDNIWSBGCBYOEC-UHFFFAOYSA-N -1 0 737.788 8.156 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409278544 1071800586 /nfs/dbraw/zinc/80/05/86/1071800586.db2.gz FZHVNHTVKJNXQD-UHFFFAOYSA-N -1 0 673.863 7.293 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409278433 1071803217 /nfs/dbraw/zinc/80/32/17/1071803217.db2.gz DZZBDJWYRZLFAP-NSHDSACASA-N -1 0 615.706 5.615 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409278403 1071803411 /nfs/dbraw/zinc/80/34/11/1071803411.db2.gz DVHWWKFNMPNFSP-IBGZPJMESA-N -1 0 567.598 5.680 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c([O-])c(Br)c3)cc21 ZINC000409278483 1071804477 /nfs/dbraw/zinc/80/44/77/1071804477.db2.gz DHWNZEMWZVOXNQ-UHFFFAOYSA-N -1 0 569.209 5.931 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2Cl)cc1 ZINC000409278116 1071808285 /nfs/dbraw/zinc/80/82/85/1071808285.db2.gz CYSHTFIHSYTJCS-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409029495 1071808454 /nfs/dbraw/zinc/80/84/54/1071808454.db2.gz AJGCTZBQVDMSHA-UHFFFAOYSA-N -1 0 565.346 7.013 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2I)cc1 ZINC000408781715 1071815606 /nfs/dbraw/zinc/81/56/06/1071815606.db2.gz DEOYRMWIICLIEQ-UHFFFAOYSA-N -1 0 510.283 5.031 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2Br)cc1 ZINC000409277529 1071819038 /nfs/dbraw/zinc/81/90/38/1071819038.db2.gz AVMVYEDUQRCOBD-UHFFFAOYSA-N -1 0 663.311 8.038 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C(C)C ZINC000409293878 1071826693 /nfs/dbraw/zinc/82/66/93/1071826693.db2.gz MEPUUDDXCAMYFO-UHFFFAOYSA-N -1 0 576.697 7.190 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409293535 1071831921 /nfs/dbraw/zinc/83/19/21/1071831921.db2.gz YVPVRHGTVMWKKN-OAQYLSRUSA-N -1 0 546.583 5.951 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409293518 1071837360 /nfs/dbraw/zinc/83/73/60/1071837360.db2.gz IOEBSWPUZIPXDN-UHFFFAOYSA-N -1 0 526.774 5.280 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409293283 1071838459 /nfs/dbraw/zinc/83/84/59/1071838459.db2.gz JXZVTCRDXGHKJK-UHFFFAOYSA-N -1 0 786.202 6.825 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409292885 1071847394 /nfs/dbraw/zinc/84/73/94/1071847394.db2.gz IORDEEKVSXYECH-CQSZACIVSA-N -1 0 552.370 5.859 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409292869 1071847522 /nfs/dbraw/zinc/84/75/22/1071847522.db2.gz IIUYXFBOSWZQHO-UHFFFAOYSA-N -1 0 607.972 6.904 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409292224 1071856385 /nfs/dbraw/zinc/85/63/85/1071856385.db2.gz DBBQNAKGYRHXFY-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Br)cc1 ZINC000409043656 1071857737 /nfs/dbraw/zinc/85/77/37/1071857737.db2.gz SSYVZWFKQHKVKJ-UHFFFAOYSA-N -1 0 735.491 7.058 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409292086 1071859743 /nfs/dbraw/zinc/85/97/43/1071859743.db2.gz RXLABYQGFDTPQY-QGZVFWFLSA-N -1 0 568.457 6.545 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408784725 1071861327 /nfs/dbraw/zinc/86/13/27/1071861327.db2.gz SEEXMYBMKLKHOO-VUTHCHCSSA-N -1 0 516.597 6.431 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408783270 1071871024 /nfs/dbraw/zinc/87/10/24/1071871024.db2.gz NJXLGZRSYUWPRQ-BUVRLJJBSA-N -1 0 500.526 5.117 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409291482 1071872043 /nfs/dbraw/zinc/87/20/43/1071872043.db2.gz CSQCPRQNJWUXHD-UHFFFAOYSA-N -1 0 554.828 6.095 40 30 KKEBRM CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408795046 1071883946 /nfs/dbraw/zinc/88/39/46/1071883946.db2.gz KXBJUOLBTPSTFS-VWLOTQADSA-N -1 0 651.453 5.709 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409041528 1071878229 /nfs/dbraw/zinc/87/82/29/1071878229.db2.gz WBBDXVDTJKQQRB-UHFFFAOYSA-N -1 0 544.648 6.585 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408794352 1071885308 /nfs/dbraw/zinc/88/53/08/1071885308.db2.gz IVWQULXTODSSNC-WUSSIKMHSA-N -1 0 634.555 8.506 40 30 KKEBRM Cc1cccc(COc2ccc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2I)c1 ZINC000408794242 1071885885 /nfs/dbraw/zinc/88/58/85/1071885885.db2.gz RPJSLPPFDXULDC-LUAXBZEPSA-N -1 0 584.435 6.111 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409290736 1071891924 /nfs/dbraw/zinc/89/19/24/1071891924.db2.gz NBSASAPXZNJXDZ-UHFFFAOYSA-N -1 0 623.460 5.910 40 30 KKEBRM Cc1cccc(COc2c(Br)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2I)c1 ZINC000408793252 1071887148 /nfs/dbraw/zinc/88/71/48/1071887148.db2.gz OBIJGBLEMOPTOX-GXMXPRDMSA-N -1 0 663.331 6.873 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@@H](C)C(=O)[O-])c(Cl)c3)cc21 ZINC000409290794 1071887787 /nfs/dbraw/zinc/88/77/87/1071887787.db2.gz VBFXHYHONYBFCF-HNNXBMFYSA-N -1 0 517.925 5.206 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccccc1 ZINC000408791818 1071889329 /nfs/dbraw/zinc/88/93/29/1071889329.db2.gz CYNLVRHAFMOGFU-RBCJLTSXSA-N -1 0 600.434 5.811 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409290631 1071890164 /nfs/dbraw/zinc/89/01/64/1071890164.db2.gz MQTFTGOXORSDIA-UHFFFAOYSA-N -1 0 689.006 8.469 40 30 KKEBRM O=C([O-])c1cccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)c3ccccc32)c1 ZINC000409290678 1071890819 /nfs/dbraw/zinc/89/08/19/1071890819.db2.gz AGJJEDUSVAJGMW-UHFFFAOYSA-N -1 0 573.008 7.047 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)cc21 ZINC000409290494 1071893202 /nfs/dbraw/zinc/89/32/02/1071893202.db2.gz UAHJKWGCGLGGOW-UHFFFAOYSA-N -1 0 654.473 6.749 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408788226 1071898998 /nfs/dbraw/zinc/89/89/98/1071898998.db2.gz JISNGXCTZGMBEG-GXMXPRDMSA-N -1 0 543.428 6.513 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409290428 1071897242 /nfs/dbraw/zinc/89/72/42/1071897242.db2.gz SSZHELCKMLANEB-UHFFFAOYSA-N -1 0 737.788 8.156 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br)C(=O)[O-] ZINC000409290051 1071900994 /nfs/dbraw/zinc/90/09/94/1071900994.db2.gz QQZXFTKFINNHII-CYBMUJFWSA-N -1 0 645.691 6.722 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409289844 1071906884 /nfs/dbraw/zinc/90/68/84/1071906884.db2.gz PKQUMRSTZBRGAV-HXUWFJFHSA-N -1 0 543.620 5.637 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408798256 1071913122 /nfs/dbraw/zinc/91/31/22/1071913122.db2.gz VLEUFMJMXBWMCF-QHCPKHFHSA-N -1 0 686.296 6.072 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)C2=C1CCCC2=O ZINC000409057045 1071911650 /nfs/dbraw/zinc/91/16/50/1071911650.db2.gz OOYWLZBJEHXMHC-UHFFFAOYSA-N -1 0 633.308 6.428 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409289511 1071911738 /nfs/dbraw/zinc/91/17/38/1071911738.db2.gz NFHJJOKELDPSPW-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM CCCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409056910 1071918314 /nfs/dbraw/zinc/91/83/14/1071918314.db2.gz NMRXLJWHJIDJQT-UHFFFAOYSA-N -1 0 567.274 5.498 40 30 KKEBRM CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409056280 1071922041 /nfs/dbraw/zinc/92/20/41/1071922041.db2.gz CAZBKFPPWBCGKN-MZJWZYIUSA-N -1 0 553.438 5.554 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C2=C1CCCC2=O ZINC000409056413 1071922558 /nfs/dbraw/zinc/92/25/58/1071922558.db2.gz MBDAYIJAHCNRCG-UHFFFAOYSA-N -1 0 560.861 6.724 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(I)c1OCc1ccccc1 ZINC000409055785 1071925730 /nfs/dbraw/zinc/92/57/30/1071925730.db2.gz PZTLXXOMOITIPR-KTZUFFFVSA-N -1 0 600.434 5.811 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409288680 1071927135 /nfs/dbraw/zinc/92/71/35/1071927135.db2.gz IQHSISSDJQANKR-UHFFFAOYSA-N -1 0 719.919 7.626 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409288226 1071933619 /nfs/dbraw/zinc/93/36/19/1071933619.db2.gz DZKIBOIIRYERHA-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM O=C([O-])COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409288222 1071933692 /nfs/dbraw/zinc/93/36/92/1071933692.db2.gz DXXYNHMTWHFPSX-UHFFFAOYSA-N -1 0 580.744 5.844 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288243 1071934104 /nfs/dbraw/zinc/93/41/04/1071934104.db2.gz FFIDGPAZCBVOFY-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409287959 1071938677 /nfs/dbraw/zinc/93/86/77/1071938677.db2.gz BDVCMZZXNFOUDE-UHFFFAOYSA-N -1 0 534.410 5.616 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409287601 1071942688 /nfs/dbraw/zinc/94/26/88/1071942688.db2.gz XCHAZBOHNRHMHA-CYBMUJFWSA-N -1 0 605.323 5.487 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)cc21 ZINC000409287614 1071942804 /nfs/dbraw/zinc/94/28/04/1071942804.db2.gz XEWSUMQEZYEKMQ-UHFFFAOYSA-N -1 0 610.022 6.640 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1[O-] ZINC000409297025 1071955178 /nfs/dbraw/zinc/95/51/78/1071955178.db2.gz VMMKQFRXOPJHNV-UHFFFAOYSA-N -1 0 516.554 5.399 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409296541 1071961430 /nfs/dbraw/zinc/96/14/30/1071961430.db2.gz TYXXVVKPVUGEJL-UHFFFAOYSA-N -1 0 698.614 8.215 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409296333 1071962452 /nfs/dbraw/zinc/96/24/52/1071962452.db2.gz SYZKQUQYQSJLJV-UHFFFAOYSA-N -1 0 702.945 7.792 40 30 KKEBRM C[C@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409296120 1071968490 /nfs/dbraw/zinc/96/84/90/1071968490.db2.gz HERLGMORUNLCRZ-KRWDZBQOSA-N -1 0 537.959 6.350 40 30 KKEBRM C[C@@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409296123 1071968550 /nfs/dbraw/zinc/96/85/50/1071968550.db2.gz HERLGMORUNLCRZ-QGZVFWFLSA-N -1 0 537.959 6.350 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409048346 1071972804 /nfs/dbraw/zinc/97/28/04/1071972804.db2.gz SQTPSADJUIVHQJ-UHFFFAOYSA-N -1 0 600.514 7.482 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409048724 1071968797 /nfs/dbraw/zinc/96/87/97/1071968797.db2.gz SULRJZUXSHPYHP-UHFFFAOYSA-N -1 0 661.420 8.105 40 30 KKEBRM CC(C)COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409048722 1071968842 /nfs/dbraw/zinc/96/88/42/1071968842.db2.gz UXXRGLSSBMMYCB-UHFFFAOYSA-N -1 0 548.507 6.798 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409295822 1071973847 /nfs/dbraw/zinc/97/38/47/1071973847.db2.gz PGQVGRNVRUXPAU-UHFFFAOYSA-N -1 0 643.332 6.603 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409295556 1071979232 /nfs/dbraw/zinc/97/92/32/1071979232.db2.gz DZTUXSMSOHMVJP-UHFFFAOYSA-N -1 0 631.729 7.400 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409295357 1071981033 /nfs/dbraw/zinc/98/10/33/1071981033.db2.gz DIYFYSKFMIKESU-AWEZNQCLSA-N -1 0 532.822 5.594 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)cc1C(C)C ZINC000409295413 1071982179 /nfs/dbraw/zinc/98/21/79/1071982179.db2.gz QSZMUBPVDRDEKN-UHFFFAOYSA-N -1 0 562.670 6.800 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)cc21 ZINC000409295139 1071982210 /nfs/dbraw/zinc/98/22/10/1071982210.db2.gz CWLZEZNKJNMMTM-UHFFFAOYSA-N -1 0 654.473 6.749 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1OCC(=O)[O-] ZINC000409295168 1071982533 /nfs/dbraw/zinc/98/25/33/1071982533.db2.gz DDBFIJOOEGJQAE-UHFFFAOYSA-N -1 0 594.462 5.621 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409058901 1071983348 /nfs/dbraw/zinc/98/33/48/1071983348.db2.gz ZHORFYKUVOVCTD-DCPXBMFFSA-N -1 0 508.599 6.741 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409058681 1071985949 /nfs/dbraw/zinc/98/59/49/1071985949.db2.gz UYJUFSDVCJCCEW-ASCZMWPCSA-N -1 0 513.402 6.504 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409058163 1071989643 /nfs/dbraw/zinc/98/96/43/1071989643.db2.gz ISPYPAKPCIAQAY-VFRXRLGUSA-N -1 0 597.520 7.632 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1O[C@H](C)C(=O)[O-] ZINC000409294754 1071989866 /nfs/dbraw/zinc/98/98/66/1071989866.db2.gz BSGGFNBJRRXRMJ-MRXNPFEDSA-N -1 0 525.483 5.215 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)o2)cc1Cl ZINC000409294802 1071990899 /nfs/dbraw/zinc/99/08/99/1071990899.db2.gz MWCBWCHEQRZMSG-UHFFFAOYSA-N -1 0 537.881 6.576 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409294571 1071991999 /nfs/dbraw/zinc/99/19/99/1071991999.db2.gz BGWPZQPYXBIVBH-UHFFFAOYSA-N -1 0 560.522 5.877 40 30 KKEBRM CCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OCC ZINC000409057725 1071992469 /nfs/dbraw/zinc/99/24/69/1071992469.db2.gz WDIGKRCZMFWJQY-NVHABHRXSA-N -1 0 519.417 5.569 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409057540 1071993038 /nfs/dbraw/zinc/99/30/38/1071993038.db2.gz PTVRJNFSDPTQOZ-FYJGNVAPSA-N -1 0 523.372 5.804 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066435 1071994808 /nfs/dbraw/zinc/99/48/08/1071994808.db2.gz NCETXXCAIZFKJJ-UHFFFAOYSA-N -1 0 691.040 7.031 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2Cl)c1 ZINC000409294274 1071997146 /nfs/dbraw/zinc/99/71/46/1071997146.db2.gz AXVGXHYOSKWCGV-UHFFFAOYSA-N -1 0 584.415 7.276 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409066484 1071995360 /nfs/dbraw/zinc/99/53/60/1071995360.db2.gz LHWXFQQPWHAYSG-UHFFFAOYSA-N -1 0 540.443 6.461 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409066491 1071995469 /nfs/dbraw/zinc/99/54/69/1071995469.db2.gz AWSBUGMHALAUCS-UHFFFAOYSA-N -1 0 663.790 7.332 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409065070 1071995809 /nfs/dbraw/zinc/99/58/09/1071995809.db2.gz FYCRSZORPHPOMV-LFVJCYFKSA-N -1 0 530.552 5.207 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409065118 1071995877 /nfs/dbraw/zinc/99/58/77/1071995877.db2.gz GHKTWQGECAJTCZ-UHFFFAOYSA-N -1 0 733.621 6.228 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C2=C1CCCC2=O ZINC000409066661 1072001200 /nfs/dbraw/zinc/00/12/00/1072001200.db2.gz NRHBFDDIUIGYRJ-UHFFFAOYSA-N -1 0 679.405 7.832 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccccc1 ZINC000409066685 1072001217 /nfs/dbraw/zinc/00/12/17/1072001217.db2.gz MALBTEOMZBJCLL-UHFFFAOYSA-N -1 0 597.752 7.163 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066717 1072001828 /nfs/dbraw/zinc/00/18/28/1072001828.db2.gz NTULPXJQENGGOQ-UHFFFAOYSA-N -1 0 613.448 5.620 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409066538 1072002114 /nfs/dbraw/zinc/00/21/14/1072002114.db2.gz NJLBRHFSJPNWDC-UHFFFAOYSA-N -1 0 626.577 7.603 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409066628 1072003036 /nfs/dbraw/zinc/00/30/36/1072003036.db2.gz LXIMRMYMSPRYLX-UHFFFAOYSA-N -1 0 590.481 5.649 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409066235 1072003218 /nfs/dbraw/zinc/00/32/18/1072003218.db2.gz KNAGSXUYBKFETO-UHFFFAOYSA-N -1 0 680.669 8.860 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067044 1071999871 /nfs/dbraw/zinc/99/98/71/1071999871.db2.gz NNKPLKJVOPYAFX-UHFFFAOYSA-N -1 0 694.663 7.847 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Cl)c1 ZINC000409294164 1072000695 /nfs/dbraw/zinc/00/06/95/1072000695.db2.gz LMUOKUWEVZYUKE-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1 ZINC000409065629 1072007040 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KDILLSOWCWUQME-UHFFFAOYSA-N -1 0 557.448 6.174 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(OC)c3O[C@H](C)C(=O)[O-])cc21 ZINC000409303788 1072047227 /nfs/dbraw/zinc/04/72/27/1072047227.db2.gz HYJSNMGFFVZCBM-OAHLLOKOSA-N -1 0 547.951 5.214 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409303675 1072050029 /nfs/dbraw/zinc/05/00/29/1072050029.db2.gz JAQQZPMZVKBZRI-UHFFFAOYSA-N -1 0 619.718 7.452 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409076500 1072050885 /nfs/dbraw/zinc/05/08/85/1072050885.db2.gz AGCVNPOXNGWJFD-UHFFFAOYSA-N -1 0 649.416 7.057 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409075860 1072055837 /nfs/dbraw/zinc/05/58/37/1072055837.db2.gz UTBNTROTOHOPLM-UHFFFAOYSA-N -1 0 735.491 7.140 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCC(=O)[O-] ZINC000409303386 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CCN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409075262 1072061275 /nfs/dbraw/zinc/06/12/75/1072061275.db2.gz YECIDHLGPDSZLA-DCPXBMFFSA-N -1 0 508.599 6.741 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409075218 1072063469 /nfs/dbraw/zinc/06/34/69/1072063469.db2.gz XMWZBQAMLGHAES-YHSWEDCKSA-N -1 0 527.429 6.895 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000409302710 1072064471 /nfs/dbraw/zinc/06/44/71/1072064471.db2.gz FEFXCTWGBVOWSG-UHFFFAOYSA-N -1 0 505.284 5.068 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409302501 1072065456 /nfs/dbraw/zinc/06/54/56/1072065456.db2.gz FCAGXDVOIUDICL-UHFFFAOYSA-N -1 0 591.664 6.672 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409074915 1072065637 /nfs/dbraw/zinc/06/56/37/1072065637.db2.gz OEWRTLBQWCYJRJ-UHFFFAOYSA-N -1 0 590.481 5.649 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409074709 1072066383 /nfs/dbraw/zinc/06/63/83/1072066383.db2.gz UXLXDIPPEZZWDI-UHFFFAOYSA-N -1 0 681.580 7.105 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 ZINC000409074131 1072069485 /nfs/dbraw/zinc/06/94/85/1072069485.db2.gz YCICLRZZAOZDFB-UHFFFAOYSA-N -1 0 533.596 5.692 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409074321 1072068661 /nfs/dbraw/zinc/06/86/61/1072068661.db2.gz ZBLTXZCNVPKJNR-UHFFFAOYSA-N -1 0 584.496 6.859 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409074303 1072068721 /nfs/dbraw/zinc/06/87/21/1072068721.db2.gz SXOGSMDJWVWJFY-UHFFFAOYSA-N -1 0 579.734 5.999 40 30 KKEBRM C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409302006 1072070369 /nfs/dbraw/zinc/07/03/69/1072070369.db2.gz CNYDOVYUBBLLPB-UHFFFAOYSA-N -1 0 576.447 5.618 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409302020 1072070383 /nfs/dbraw/zinc/07/03/83/1072070383.db2.gz DYFLORXGQSBDSO-HNNXBMFYSA-N -1 0 651.379 5.820 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1 ZINC000409302107 1072071394 /nfs/dbraw/zinc/07/13/94/1072071394.db2.gz HLZOKTCZDBKBLR-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409302085 1072071409 /nfs/dbraw/zinc/07/14/09/1072071409.db2.gz FETIEXGYQNOFRS-UHFFFAOYSA-N -1 0 570.827 5.543 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073883 1072072187 /nfs/dbraw/zinc/07/21/87/1072072187.db2.gz NVJQLZCOLSFDQI-UHFFFAOYSA-N -1 0 603.759 7.892 40 30 KKEBRM 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OSCAYWMOCVYDHL-UHFFFAOYSA-N -1 0 679.383 5.867 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409073074 1072077001 /nfs/dbraw/zinc/07/70/01/1072077001.db2.gz XBSWTRQZVNRRJC-BUVRLJJBSA-N -1 0 534.971 5.852 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409073580 1072074681 /nfs/dbraw/zinc/07/46/81/1072074681.db2.gz QKVXMMQLUAXHCR-UHFFFAOYSA-N -1 0 508.611 5.677 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccccc1 ZINC000409073440 1072075751 /nfs/dbraw/zinc/07/57/51/1072075751.db2.gz NBRFQFQJCCTTPR-UHFFFAOYSA-N -1 0 527.617 5.501 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000409073468 1072076149 /nfs/dbraw/zinc/07/61/49/1072076149.db2.gz ZDFVXRIMPXXKRB-UHFFFAOYSA-N -1 0 589.704 6.964 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409073154 1072077918 /nfs/dbraw/zinc/07/79/18/1072077918.db2.gz XSFLQFGHAMHLAH-UHFFFAOYSA-N -1 0 562.062 6.154 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC000409301110 1072084947 /nfs/dbraw/zinc/08/49/47/1072084947.db2.gz ZQJWATVWXZNQGZ-UHFFFAOYSA-N -1 0 570.443 6.595 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409072066 1072084860 /nfs/dbraw/zinc/08/48/60/1072084860.db2.gz APTQCEPBXUWVRO-UHFFFAOYSA-N -1 0 523.988 5.946 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409072869 1072079853 /nfs/dbraw/zinc/07/98/53/1072079853.db2.gz FBJSXBSTLIMVTJ-NJZRLIGZSA-N -1 0 652.725 6.135 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000409301316 1072080103 /nfs/dbraw/zinc/08/01/03/1072080103.db2.gz DYBMUSONNKDMBM-OLZOCXBDSA-N -1 0 506.784 5.060 40 30 KKEBRM COc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1Br 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C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409072477 1072083675 /nfs/dbraw/zinc/08/36/75/1072083675.db2.gz NQBZYRLURRIZNN-YDZHTSKRSA-N -1 0 534.971 5.770 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409071292 1072090961 /nfs/dbraw/zinc/09/09/61/1072090961.db2.gz NOHNSZWSHQNHCK-UHFFFAOYSA-N -1 0 628.947 6.968 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409300695 1072086897 /nfs/dbraw/zinc/08/68/97/1072086897.db2.gz ABQAVKWWTILXAO-LJQANCHMSA-N -1 0 604.501 6.569 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409071834 1072087076 /nfs/dbraw/zinc/08/70/76/1072087076.db2.gz LQNHPSPSIXZWNZ-UHFFFAOYSA-N -1 0 606.159 7.396 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409071470 1072088184 /nfs/dbraw/zinc/08/81/84/1072088184.db2.gz 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O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2Br)c1 ZINC000409300161 1072094290 /nfs/dbraw/zinc/09/42/90/1072094290.db2.gz XJEQAUFXNRINAZ-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070520 1072094938 /nfs/dbraw/zinc/09/49/38/1072094938.db2.gz ZKSBWIRNIFJIJQ-UHFFFAOYSA-N -1 0 628.143 5.887 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409300089 1072096866 /nfs/dbraw/zinc/09/68/66/1072096866.db2.gz UPJDTZCVZCDKDU-UHFFFAOYSA-N -1 0 599.825 6.003 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409299828 1072097179 /nfs/dbraw/zinc/09/71/79/1072097179.db2.gz VPNWCTBGUVUYBP-OAHLLOKOSA-N -1 0 640.874 6.367 40 30 KKEBRM CCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409070273 1072097612 /nfs/dbraw/zinc/09/76/12/1072097612.db2.gz 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C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(F)cc1 ZINC000409069640 1072101394 /nfs/dbraw/zinc/10/13/94/1072101394.db2.gz WNQJLKHBIAGWJO-UHFFFAOYSA-N -1 0 545.607 5.640 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000409069632 1072101493 /nfs/dbraw/zinc/10/14/93/1072101493.db2.gz WMKYLYHEUCJZQH-UHFFFAOYSA-N -1 0 515.606 5.552 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000409069464 1072102571 /nfs/dbraw/zinc/10/25/71/1072102571.db2.gz KZIBBMYBABYVGG-UHFFFAOYSA-N -1 0 595.446 5.824 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409069335 1072104261 /nfs/dbraw/zinc/10/42/61/1072104261.db2.gz INGMHGXIGKXISJ-YDZHTSKRSA-N -1 0 551.426 6.284 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(C)cc1 ZINC000409069360 1072104281 /nfs/dbraw/zinc/10/42/81/1072104281.db2.gz XJGWBEBQNHIASB-UHFFFAOYSA-N -1 0 555.671 6.199 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409069044 1072106371 /nfs/dbraw/zinc/10/63/71/1072106371.db2.gz VPECBQJMGLWAEQ-UHFFFAOYSA-N -1 0 715.479 7.821 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409298827 1072113094 /nfs/dbraw/zinc/11/30/94/1072113094.db2.gz XYEKVEBLFAZVOM-UHFFFAOYSA-N -1 0 515.997 6.257 40 30 KKEBRM Cc1ccc(COc2ccc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2Br)cc1 ZINC000409068160 1072113688 /nfs/dbraw/zinc/11/36/88/1072113688.db2.gz FWSLJSBOKGYSMU-UHFFFAOYSA-N -1 0 564.476 6.225 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068927 1072107876 /nfs/dbraw/zinc/10/78/76/1072107876.db2.gz KLHHJQANGNAKLU-FYJGNVAPSA-N -1 0 585.871 7.019 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299092 1072108398 /nfs/dbraw/zinc/10/83/98/1072108398.db2.gz QTQMYUBIDVVZRO-UHFFFAOYSA-N -1 0 635.696 6.051 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409067990 1072114091 /nfs/dbraw/zinc/11/40/91/1072114091.db2.gz SALTYYPAPCTHRK-UHFFFAOYSA-N -1 0 535.036 7.017 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@H](C)C(=O)[O-])c(OCC)c2)cc1C(C)C ZINC000409298905 1072114284 /nfs/dbraw/zinc/11/42/84/1072114284.db2.gz QDAQWNRVJJSLJG-HXUWFJFHSA-N -1 0 636.543 6.789 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068588 1072110273 /nfs/dbraw/zinc/11/02/73/1072110273.db2.gz RZWTVVYIUJIPDM-UHFFFAOYSA-N -1 0 650.610 7.831 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068453 1072111250 /nfs/dbraw/zinc/11/12/50/1072111250.db2.gz GLUMEUVBNPFMFQ-UHFFFAOYSA-N -1 0 657.399 7.462 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409067905 1072115252 /nfs/dbraw/zinc/11/52/52/1072115252.db2.gz QPISKTGWSQRPHQ-UHFFFAOYSA-N -1 0 676.648 7.926 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 ZINC000409067836 1072115302 /nfs/dbraw/zinc/11/53/02/1072115302.db2.gz RIUOMYRJIFJBQZ-UHFFFAOYSA-N -1 0 594.502 6.315 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409298375 1072119064 /nfs/dbraw/zinc/11/90/64/1072119064.db2.gz ZFSQNZFEAGNJBR-AWEZNQCLSA-N -1 0 596.821 5.968 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080409 1072123259 /nfs/dbraw/zinc/12/32/59/1072123259.db2.gz NSFBHNGGGMJGPB-UHFFFAOYSA-N -1 0 612.601 7.176 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409297731 1072130352 /nfs/dbraw/zinc/13/03/52/1072130352.db2.gz XFLFVXBJOBSIQR-UHFFFAOYSA-N -1 0 620.662 6.962 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)c([O-])c(I)c3)sc2C1 ZINC000409079894 1072130393 /nfs/dbraw/zinc/13/03/93/1072130393.db2.gz CBWXUNXBWCYVRD-ZCUUTASWSA-N -1 0 543.268 6.594 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(I)c2)cc1C(C)C ZINC000409297980 1072125885 /nfs/dbraw/zinc/12/58/85/1072125885.db2.gz LXGIZXVZOXFLNE-UHFFFAOYSA-N -1 0 701.561 7.658 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409080150 1072126477 /nfs/dbraw/zinc/12/64/77/1072126477.db2.gz MBUBCPUABSXSAR-UIHWRNLWSA-N -1 0 595.548 9.167 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409297659 1072129349 /nfs/dbraw/zinc/12/93/49/1072129349.db2.gz USAHDPPPDUFJBZ-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409079868 1072129809 /nfs/dbraw/zinc/12/98/09/1072129809.db2.gz GRHPLGMQUFYBNN-KTBDRLKFSA-N -1 0 590.927 7.932 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409297521 1072131706 /nfs/dbraw/zinc/13/17/06/1072131706.db2.gz KTXRRXADGJJPEK-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(I)c([O-])c(I)c3)sc2C1 ZINC000409078931 1072139109 /nfs/dbraw/zinc/13/91/09/1072139109.db2.gz DZWRXBXUUURJLI-ZCUUTASWSA-N -1 0 590.268 6.436 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)[O-])c(Br)c3)c2C(=O)NCc2ccco2)C1 ZINC000409078766 1072140870 /nfs/dbraw/zinc/14/08/70/1072140870.db2.gz CYDKTOWFFMRGDU-HWQYYBGISA-N -1 0 573.509 6.399 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC000409314158 1072145819 /nfs/dbraw/zinc/14/58/19/1072145819.db2.gz RQUXKCWCACAEDR-CQSZACIVSA-N -1 0 595.288 5.397 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000409313845 1072147770 /nfs/dbraw/zinc/14/77/70/1072147770.db2.gz DKTHYKDOJUZREX-QFBILLFUSA-N -1 0 565.468 5.814 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409078292 1072147816 /nfs/dbraw/zinc/14/78/16/1072147816.db2.gz IGEGDNGTOOGABL-BCIWWGHASA-N -1 0 590.701 7.900 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)C2=C1CCCC2=O ZINC000409078084 1072148757 /nfs/dbraw/zinc/14/87/57/1072148757.db2.gz HPWYHKPMJDYKBC-UHFFFAOYSA-N -1 0 590.503 7.614 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409313736 1072149099 /nfs/dbraw/zinc/14/90/99/1072149099.db2.gz CXZYSGDMBCLZST-KBPBESRZSA-N -1 0 642.288 5.410 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409313557 1072150121 /nfs/dbraw/zinc/15/01/21/1072150121.db2.gz CJVQZLPUTWFSCJ-ZDUSSCGKSA-N -1 0 622.270 5.612 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409313118 1072153740 /nfs/dbraw/zinc/15/37/40/1072153740.db2.gz BMZXOXHKJMMXRQ-KRWDZBQOSA-N -1 0 594.462 5.849 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409311493 1072170071 /nfs/dbraw/zinc/17/00/71/1072170071.db2.gz ZZGNCFLQGFSIKK-UHFFFAOYSA-N -1 0 678.175 6.796 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409085797 1072173280 /nfs/dbraw/zinc/17/32/80/1072173280.db2.gz ZLCZICNEDGRGNA-KTBDRLKFSA-N -1 0 637.927 7.774 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409311202 1072173366 /nfs/dbraw/zinc/17/33/66/1072173366.db2.gz DTIAZKNGORFANG-LBPRGKRZSA-N -1 0 585.680 5.652 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409084757 1072184816 /nfs/dbraw/zinc/18/48/16/1072184816.db2.gz XNKKUBIRPIARHF-UHFFFAOYSA-N -1 0 647.046 7.830 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409309321 1072193022 /nfs/dbraw/zinc/19/30/22/1072193022.db2.gz FKYHTQYQVJMUSS-STQMWFEESA-N -1 0 536.810 5.069 40 30 KKEBRM O=C([O-])c1cccc(COc2ccccc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1 ZINC000409309989 1072187823 /nfs/dbraw/zinc/18/78/23/1072187823.db2.gz OXGIJOXSEBUPGA-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409309872 1072189887 /nfs/dbraw/zinc/18/98/87/1072189887.db2.gz NKWDVWANAHKECO-MRXNPFEDSA-N -1 0 568.855 6.485 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409084074 1072193355 /nfs/dbraw/zinc/19/33/55/1072193355.db2.gz WJXMNGLZTMPGNM-VQURDZQPSA-N -1 0 566.723 8.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409309062 1072196538 /nfs/dbraw/zinc/19/65/38/1072196538.db2.gz ARJOQNZARKVSLN-UHFFFAOYSA-N -1 0 579.407 5.569 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409309100 1072197061 /nfs/dbraw/zinc/19/70/61/1072197061.db2.gz BKURPHYEVINJHI-UHFFFAOYSA-N -1 0 633.724 6.687 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083414 1072202128 /nfs/dbraw/zinc/20/21/28/1072202128.db2.gz VHSGKDSMTLHCOD-UDWIEESQSA-N -1 0 583.475 5.515 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308172 1072209673 /nfs/dbraw/zinc/20/96/73/1072209673.db2.gz XMWYJUGYNGSISG-UHFFFAOYSA-N -1 0 691.804 7.431 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Cl)cc(Cl)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409082650 1072209962 /nfs/dbraw/zinc/20/99/62/1072209962.db2.gz QOBDMJWCRTXAJD-WFIBAECOSA-N -1 0 505.467 7.185 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC000409307988 1072211534 /nfs/dbraw/zinc/21/15/34/1072211534.db2.gz VTPSPVFSAYEIIQ-UHFFFAOYSA-N -1 0 598.881 6.278 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409317083 1072225959 /nfs/dbraw/zinc/22/59/59/1072225959.db2.gz ONETYSXMBVEPMU-MRXNPFEDSA-N -1 0 609.433 5.749 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409316978 1072227236 /nfs/dbraw/zinc/22/72/36/1072227236.db2.gz NDUNQOJSTGGWDB-INIZCTEOSA-N -1 0 579.407 5.740 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1OCC(=O)[O-] ZINC000409316577 1072230849 /nfs/dbraw/zinc/23/08/49/1072230849.db2.gz YSHOLHKUZIMUEF-UHFFFAOYSA-N -1 0 548.821 5.214 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409316432 1072232288 /nfs/dbraw/zinc/23/22/88/1072232288.db2.gz QDQBCBCCWKJBBT-QGZVFWFLSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409316328 1072231334 /nfs/dbraw/zinc/23/13/34/1072231334.db2.gz MFAFYZBGQQJJPM-MRXNPFEDSA-N -1 0 660.306 6.437 40 30 KKEBRM CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C1=O)OCO2 ZINC000409095384 1072241018 /nfs/dbraw/zinc/24/10/18/1072241018.db2.gz HJEHGHZATRLFSO-ULQQMJMFSA-N -1 0 502.548 5.316 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC000409326731 1072244928 /nfs/dbraw/zinc/24/49/28/1072244928.db2.gz NKMFAGCBUKUKPF-NWDGAFQWSA-N -1 0 724.131 5.616 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409325970 1072251222 /nfs/dbraw/zinc/25/12/22/1072251222.db2.gz DVUOSBQPPUZXJK-INIZCTEOSA-N -1 0 660.306 6.437 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409093124 1072256111 /nfs/dbraw/zinc/25/61/11/1072256111.db2.gz XUAPJERASDOUNF-KURMUJMGSA-N -1 0 575.130 8.822 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC000409325000 1072261138 /nfs/dbraw/zinc/26/11/38/1072261138.db2.gz WMRQKHBETUJOQI-HXUWFJFHSA-N -1 0 627.539 7.239 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409325101 1072259326 /nfs/dbraw/zinc/25/93/26/1072259326.db2.gz WSMZQMKPQGRFOW-LJQANCHMSA-N -1 0 604.501 6.569 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2I)cc1 ZINC000409324555 1072264713 /nfs/dbraw/zinc/26/47/13/1072264713.db2.gz UTKXUJHBVOYECE-UHFFFAOYSA-N -1 0 686.344 6.971 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(I)cc(I)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409092004 1072267102 /nfs/dbraw/zinc/26/71/02/1072267102.db2.gz SEPKCYMBKQLEMD-FFCNRAIOSA-N -1 0 684.381 7.817 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409092017 1072267121 /nfs/dbraw/zinc/26/71/21/1072267121.db2.gz SHYWGEHRWXUMRG-UHFFFAOYSA-N -1 0 647.681 6.854 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 ZINC000409092015 1072267168 /nfs/dbraw/zinc/26/71/68/1072267168.db2.gz WVUBGHWQNUODAM-FOKLQQMPSA-N -1 0 528.571 6.956 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091271 1072273816 /nfs/dbraw/zinc/27/38/16/1072273816.db2.gz PBORLQNNVZJSAI-UHFFFAOYSA-N -1 0 647.046 7.830 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cccc(OCC(=O)[O-])c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091024 1072274143 /nfs/dbraw/zinc/27/41/43/1072274143.db2.gz ONVAZWFGVKWDHF-FCKPLEBVSA-N -1 0 527.429 6.882 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)c3ccccc32)cc1 ZINC000409323538 1072274524 /nfs/dbraw/zinc/27/45/24/1072274524.db2.gz PWCUEWSUEQAYNB-UHFFFAOYSA-N -1 0 583.486 6.790 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091631 1072268705 /nfs/dbraw/zinc/26/87/05/1072268705.db2.gz QTVFTMUYGSAKLZ-SJJYLRMESA-N -1 0 682.423 9.459 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(I)c1 ZINC000409323962 1072270080 /nfs/dbraw/zinc/27/00/80/1072270080.db2.gz QLKUTQKQJHOQPS-CHWSQXEVSA-N -1 0 598.235 5.011 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409091327 1072271353 /nfs/dbraw/zinc/27/13/53/1072271353.db2.gz SQQZZLYBJXYROR-HAKHTHHFSA-N -1 0 540.685 8.169 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409090981 1072276587 /nfs/dbraw/zinc/27/65/87/1072276587.db2.gz ODTVKSMBZOYBCY-SYCUJBBPSA-N -1 0 567.461 5.594 40 30 KKEBRM C[C@@H](Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I)C(=O)[O-] ZINC000409323148 1072278537 /nfs/dbraw/zinc/27/85/37/1072278537.db2.gz NXWLVBIUNCJIRS-CYBMUJFWSA-N -1 0 750.169 6.150 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409090658 1072279255 /nfs/dbraw/zinc/27/92/55/1072279255.db2.gz MXOFLGCPIHCNOM-PXAWYTRESA-N -1 0 726.476 9.857 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409322510 1072282492 /nfs/dbraw/zinc/28/24/92/1072282492.db2.gz KEJYVPWKVDYKFL-UHFFFAOYSA-N -1 0 730.397 7.369 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409090491 1072280667 /nfs/dbraw/zinc/28/06/67/1072280667.db2.gz NNGFTRJMNVEPQT-UHFFFAOYSA-N -1 0 612.601 7.176 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409321951 1072288292 /nfs/dbraw/zinc/28/82/92/1072288292.db2.gz VLHNNYOEXHCMRG-OAHLLOKOSA-N -1 0 692.202 7.357 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409322362 1072284366 /nfs/dbraw/zinc/28/43/66/1072284366.db2.gz JMRITZWAVAWVNV-INIZCTEOSA-N -1 0 598.881 6.494 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl)C(=O)[O-] ZINC000409321596 1072289881 /nfs/dbraw/zinc/28/98/81/1072289881.db2.gz GZNPHRIUVSVEAX-ZDUSSCGKSA-N -1 0 567.267 6.248 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC000409321612 1072290425 /nfs/dbraw/zinc/29/04/25/1072290425.db2.gz GXCNRTSRJQKYHU-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409089258 1072292217 /nfs/dbraw/zinc/29/22/17/1072292217.db2.gz ZHNJDNRXZOTREL-GAWHJTMWSA-N -1 0 683.351 7.495 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089027 1072292615 /nfs/dbraw/zinc/29/26/15/1072292615.db2.gz GYFGRTCLCADMHW-UHFFFAOYSA-N -1 0 668.497 6.828 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1 ZINC000409319775 1072308456 /nfs/dbraw/zinc/30/84/56/1072308456.db2.gz LQHBQCHOLVOSRM-UHFFFAOYSA-N -1 0 594.893 7.020 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Cl)cc(I)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409087432 1072308682 /nfs/dbraw/zinc/30/86/82/1072308682.db2.gz YSBFUIVRQKXBCF-RNWQJLHQSA-N -1 0 592.930 7.866 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087508 1072308983 /nfs/dbraw/zinc/30/89/83/1072308983.db2.gz ZBBJEARVWFMLST-YBFXNURJSA-N -1 0 627.393 6.396 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409319111 1072313181 /nfs/dbraw/zinc/31/31/81/1072313181.db2.gz AHOUOJHBSZRUNO-UHFFFAOYSA-N -1 0 630.539 7.103 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409319197 1072313948 /nfs/dbraw/zinc/31/39/48/1072313948.db2.gz BWSMGRIKLMNFOM-HXUWFJFHSA-N -1 0 618.528 6.959 40 30 KKEBRM C=CCc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409101279 1072315334 /nfs/dbraw/zinc/31/53/34/1072315334.db2.gz WOVFFIOBZSNUDD-ZVHZXABRSA-N -1 0 532.980 5.842 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409318786 1072315871 /nfs/dbraw/zinc/31/58/71/1072315871.db2.gz ZNLPAQOXDYKGMZ-OAHLLOKOSA-N -1 0 658.303 6.503 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409318905 1072316668 /nfs/dbraw/zinc/31/66/68/1072316668.db2.gz YQRVAVQQOVXPIR-SFHVURJKSA-N -1 0 577.479 5.898 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Br)c1 ZINC000409318587 1072318760 /nfs/dbraw/zinc/31/87/60/1072318760.db2.gz XDUZOLACWVGZTD-UHFFFAOYSA-N -1 0 639.344 7.129 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409317816 1072325001 /nfs/dbraw/zinc/32/50/01/1072325001.db2.gz WBHNNSVIVCNKSB-MRXNPFEDSA-N -1 0 690.332 6.445 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409336733 1072329848 /nfs/dbraw/zinc/32/98/48/1072329848.db2.gz UIJOGKROBIAPGD-LBPRGKRZSA-N -1 0 585.680 5.652 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)SC2=N)s1 ZINC000409336579 1072331298 /nfs/dbraw/zinc/33/12/98/1072331298.db2.gz PVJBIEMCBBMNMP-SXSOPCHOSA-N -1 0 723.399 7.460 40 30 KKEBRM N=C1SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C([O-])=C1c1nccs1 ZINC000409336280 1072333108 /nfs/dbraw/zinc/33/31/08/1072333108.db2.gz NDMAEQLTBDAQKX-IWTUMMDWSA-N -1 0 521.461 7.056 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I ZINC000409335781 1072336353 /nfs/dbraw/zinc/33/63/53/1072336353.db2.gz YDIXWOILAICDTQ-UHFFFAOYSA-N -1 0 610.246 5.157 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=N)s1 ZINC000409333953 1072350734 /nfs/dbraw/zinc/35/07/34/1072350734.db2.gz GHTMKVNSYSNVPQ-PTLAJMPYSA-N -1 0 527.502 7.137 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2I)cc1 ZINC000409103495 1072359981 /nfs/dbraw/zinc/35/99/81/1072359981.db2.gz HFYJIOXRPKEFSL-YPXUMCKCSA-N -1 0 541.267 5.428 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409330525 1072376356 /nfs/dbraw/zinc/37/63/56/1072376356.db2.gz BACIAHQJLXBNJM-KRWDZBQOSA-N -1 0 594.462 5.849 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409337099 1072404707 /nfs/dbraw/zinc/40/47/07/1072404707.db2.gz WTRATJDKDCMEDE-UHFFFAOYSA-N -1 0 599.825 5.833 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409107380 1072413650 /nfs/dbraw/zinc/41/36/50/1072413650.db2.gz RJIBHMKRCICCDB-MFKUBSTISA-N -1 0 585.447 6.518 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409126977 1072448194 /nfs/dbraw/zinc/44/81/94/1072448194.db2.gz GNJCNEYTNLMPRI-WPWMEQJKSA-N -1 0 629.666 5.760 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409124555 1072466475 /nfs/dbraw/zinc/46/64/75/1072466475.db2.gz IFIXZDVDTPACJQ-WPWMEQJKSA-N -1 0 602.659 5.991 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc(Cl)cc1 ZINC000409337643 1072492259 /nfs/dbraw/zinc/49/22/59/1072492259.db2.gz WZLSVXCNUJPCKX-XRSHBMEUSA-N -1 0 500.045 6.149 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000409337673 1072492768 /nfs/dbraw/zinc/49/27/68/1072492768.db2.gz XQWLLOOFLNIZPB-SXIRRZTFSA-N -1 0 507.681 6.421 40 30 KKEBRM N#Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C(=O)[O-])o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409139675 1072563258 /nfs/dbraw/zinc/56/32/58/1072563258.db2.gz CVPINCBGLLNDRS-KBVAKVRCSA-N -1 0 503.470 7.102 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409362391 1072595445 /nfs/dbraw/zinc/59/54/45/1072595445.db2.gz VENLXNPHYGUFNC-UHFFFAOYSA-N -1 0 617.250 5.185 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409371102 1072650647 /nfs/dbraw/zinc/65/06/47/1072650647.db2.gz DDWQDNVBLMDWHK-OEAKJJBVSA-N -1 0 520.969 5.301 40 30 KKEBRM N#Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000409384120 1072681140 /nfs/dbraw/zinc/68/11/40/1072681140.db2.gz BFKMVGLDEIQIOT-NHCUHLMSSA-N -1 0 594.420 5.070 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384435 1072698898 /nfs/dbraw/zinc/69/88/98/1072698898.db2.gz BTPVLZWSYRRCEM-MRYWEKRUSA-N -1 0 554.624 6.412 40 30 KKEBRM N#Cc1c(/N=C/c2cc(Br)c([O-])c(Br)c2)oc(-c2ccco2)c1-c1ccco1 ZINC000409389449 1072732057 /nfs/dbraw/zinc/73/20/57/1072732057.db2.gz ZFAXBTBNJUAMTF-YSURURNPSA-N -1 0 502.118 6.652 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387570 1072742249 /nfs/dbraw/zinc/74/22/49/1072742249.db2.gz XANJMNUDVADHOB-ODLFYWEKSA-N -1 0 546.501 6.931 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409406893 1072755713 /nfs/dbraw/zinc/75/57/13/1072755713.db2.gz RLPUYNZPIBZEEJ-UHFFFAOYSA-N -1 0 599.397 5.894 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409406609 1072758059 /nfs/dbraw/zinc/75/80/59/1072758059.db2.gz XXNCZOKGTQWIEP-OAQYLSRUSA-N -1 0 506.562 5.205 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403957 1072768596 /nfs/dbraw/zinc/76/85/96/1072768596.db2.gz NXIQEGNMVIBOIE-UHFFFAOYSA-N -1 0 598.453 6.384 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409404008 1072768952 /nfs/dbraw/zinc/76/89/52/1072768952.db2.gz JOFXGCGGPTXTSJ-UHFFFAOYSA-N -1 0 632.898 7.038 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403620 1072769849 /nfs/dbraw/zinc/76/98/49/1072769849.db2.gz IOGMEARSCKMNIF-UHFFFAOYSA-N -1 0 677.349 7.147 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409403452 1072771640 /nfs/dbraw/zinc/77/16/40/1072771640.db2.gz LZCAVOKBMUJYGN-UHFFFAOYSA-N -1 0 550.527 5.140 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403220 1072772095 /nfs/dbraw/zinc/77/20/95/1072772095.db2.gz LALOGMWIVNNPLG-UHFFFAOYSA-N -1 0 618.871 6.647 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409402724 1072775295 /nfs/dbraw/zinc/77/52/95/1072775295.db2.gz IZJHBORMTRLSJE-UHFFFAOYSA-N -1 0 519.557 5.622 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409401677 1072780589 /nfs/dbraw/zinc/78/05/89/1072780589.db2.gz DZOFSDPWQNVBHT-UHFFFAOYSA-N -1 0 568.633 6.630 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409401136 1072781586 /nfs/dbraw/zinc/78/15/86/1072781586.db2.gz CHLNFOHPUJFXJL-UHFFFAOYSA-N -1 0 584.426 5.994 40 30 KKEBRM CC[C@@H]1CCCCN1S(=O)([O-])=C1C=CC(=NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)C=C1 ZINC000409416050 1072784764 /nfs/dbraw/zinc/78/47/64/1072784764.db2.gz SJDUDXXNXGHHTQ-OAQYLSRUSA-N -1 0 552.747 5.653 40 30 KKEBRM O=C(CSc1nnc2n(Cc3c(F)cccc3Cl)c3ccccc3n12)N=C1C=CC(=S(=O)([O-])NC2CCCC2)C=C1 ZINC000409416026 1072784899 /nfs/dbraw/zinc/78/48/99/1072784899.db2.gz TUWVZEXROAHDEB-UHFFFAOYSA-N -1 0 613.140 5.088 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c([O-])c(CC=C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182254 1072792932 /nfs/dbraw/zinc/79/29/32/1072792932.db2.gz JZPRPQOBYKTAIX-LERHMWTCSA-N -1 0 682.640 7.276 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409407979 1072819164 /nfs/dbraw/zinc/81/91/64/1072819164.db2.gz WIUYYMICQHPTAE-UHFFFAOYSA-N -1 0 518.573 5.289 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409195593 1072835655 /nfs/dbraw/zinc/83/56/55/1072835655.db2.gz WQEFBXCXUQJGQU-OVVQPSECSA-N -1 0 633.141 6.896 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409195278 1072837146 /nfs/dbraw/zinc/83/71/46/1072837146.db2.gz SYEWCULGXYQRPW-MTDXEUNCSA-N -1 0 643.693 6.151 40 30 KKEBRM COc1cccc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187970 1072884365 /nfs/dbraw/zinc/88/43/65/1072884365.db2.gz WBPLNIJJYFBUQH-OFMHMLEBSA-N -1 0 548.705 6.910 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(OC)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409201432 1072917867 /nfs/dbraw/zinc/91/78/67/1072917867.db2.gz MQYOUSJIDDXING-VULFUBBASA-N -1 0 531.346 5.726 40 30 KKEBRM COc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409201288 1072918162 /nfs/dbraw/zinc/91/81/62/1072918162.db2.gz KYJOCAGRYDETNU-LGJNPRDNSA-N -1 0 515.347 5.944 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531111861 1072932530 /nfs/dbraw/zinc/93/25/30/1072932530.db2.gz DMILBNZZEONDQR-YNFMAFFXSA-N -1 0 613.852 6.178 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531110025 1072932635 /nfs/dbraw/zinc/93/26/35/1072932635.db2.gz WVTRBHYWDDDUFB-YNFMAFFXSA-N -1 0 613.852 6.178 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)o1 ZINC001531122292 1072935765 /nfs/dbraw/zinc/93/57/65/1072935765.db2.gz DATBWUGSUOKLIR-WKIKZPBSSA-N -1 0 508.372 5.605 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531128588 1072939023 /nfs/dbraw/zinc/93/90/23/1072939023.db2.gz ZKJBFRANTRUDAB-CNCDYAKUSA-N -1 0 612.908 6.668 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531134520 1072940442 /nfs/dbraw/zinc/94/04/42/1072940442.db2.gz GSVHPUQOARITHO-MNDYBZJGSA-N -1 0 564.436 5.625 40 30 KKEBRM C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531155973 1072947371 /nfs/dbraw/zinc/94/73/71/1072947371.db2.gz MVHLFXIWYHPGBJ-HQDYHJHZSA-N -1 0 618.528 6.743 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Br)cc1 ZINC000409214556 1072951940 /nfs/dbraw/zinc/95/19/40/1072951940.db2.gz WBFSSDDKDIQDGC-STBIYBPSSA-N -1 0 502.364 7.269 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409214618 1072952085 /nfs/dbraw/zinc/95/20/85/1072952085.db2.gz WLBSZRWQNWHGFC-WYMPLXKRSA-N -1 0 505.162 6.218 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001531186270 1072958350 /nfs/dbraw/zinc/95/83/50/1072958350.db2.gz OACYDLKPNREPJY-FDVSRXAVSA-N -1 0 534.410 5.616 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409209570 1072968529 /nfs/dbraw/zinc/96/85/29/1072968529.db2.gz CNUIBAAXJVNTKZ-MZJWZYIUSA-N -1 0 529.374 6.335 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001531229764 1072978454 /nfs/dbraw/zinc/97/84/54/1072978454.db2.gz DYBMUSONNKDMBM-UFOJXWSGSA-N -1 0 506.784 5.060 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC001531230347 1072980390 /nfs/dbraw/zinc/98/03/90/1072980390.db2.gz TZUSWAFPUQNUJO-MLZXSMIQSA-N -1 0 628.261 5.020 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001531230349 1072980415 /nfs/dbraw/zinc/98/04/15/1072980415.db2.gz TZUSWAFPUQNUJO-SSAQJZBFSA-N -1 0 628.261 5.020 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531231900 1072984819 /nfs/dbraw/zinc/98/48/19/1072984819.db2.gz ZRBPCWLNKCKSAQ-WCMJOSRZSA-N -1 0 557.448 6.085 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC001531234261 1072987209 /nfs/dbraw/zinc/98/72/09/1072987209.db2.gz SHSHIFUFJNXDSY-MUFRIFMGSA-N -1 0 534.410 5.661 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531238621 1072993477 /nfs/dbraw/zinc/99/34/77/1072993477.db2.gz OIWMDSXFMIAOIP-DESFHTRISA-N -1 0 585.680 5.823 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531238632 1072993817 /nfs/dbraw/zinc/99/38/17/1072993817.db2.gz OIWMDSXFMIAOIP-YPQDEONXSA-N -1 0 585.680 5.823 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C ZINC001531242420 1072996300 /nfs/dbraw/zinc/99/63/00/1072996300.db2.gz KVKLOBMOLCOIOI-WKULSOCRSA-N -1 0 551.441 5.255 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC001531242797 1072997518 /nfs/dbraw/zinc/99/75/18/1072997518.db2.gz XCEFTECFHBPGFY-WKULSOCRSA-N -1 0 535.442 5.798 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531245269 1073003469 /nfs/dbraw/zinc/00/34/69/1073003469.db2.gz WBHNNSVIVCNKSB-RTHFECFVSA-N -1 0 690.332 6.445 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531249996 1073006640 /nfs/dbraw/zinc/00/66/40/1073006640.db2.gz ZNLPAQOXDYKGMZ-BNWUJJENSA-N -1 0 658.303 6.503 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531255925 1073012289 /nfs/dbraw/zinc/01/22/89/1073012289.db2.gz UYSJJADLXSIPDP-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000409217551 1073015743 /nfs/dbraw/zinc/01/57/43/1073015743.db2.gz PXLHZJMBZCIFAU-AUPMCDJLSA-N -1 0 590.705 7.129 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531263082 1073020164 /nfs/dbraw/zinc/02/01/64/1073020164.db2.gz KSGBPKLUZAPATH-HWFREFBRSA-N -1 0 657.359 6.993 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531268614 1073027970 /nfs/dbraw/zinc/02/79/70/1073027970.db2.gz MCURKSTZKCPFRB-IKKNOINJSA-N -1 0 557.448 6.256 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531268656 1073028613 /nfs/dbraw/zinc/02/86/13/1073028613.db2.gz TUIXCKHETIBRBR-YPQDEONXSA-N -1 0 630.131 5.932 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC001531269255 1073031522 /nfs/dbraw/zinc/03/15/22/1073031522.db2.gz UPVDQUSZQYHHAT-MUFRIFMGSA-N -1 0 534.410 5.661 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC001531269320 1073032123 /nfs/dbraw/zinc/03/21/23/1073032123.db2.gz YMXNBLJANYBNES-BUGPSZFBSA-N -1 0 724.131 5.445 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531269601 1073032155 /nfs/dbraw/zinc/03/21/55/1073032155.db2.gz ACZNBJIWZJYRRX-BRQOLZEGSA-N -1 0 579.407 5.740 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC001531276717 1073042138 /nfs/dbraw/zinc/04/21/38/1073042138.db2.gz WWJIOHWZSWXGNS-XSZJBBQGSA-N -1 0 565.468 5.643 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531277975 1073043856 /nfs/dbraw/zinc/04/38/56/1073043856.db2.gz NDUNQOJSTGGWDB-BRQOLZEGSA-N -1 0 579.407 5.740 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001531282273 1073046765 /nfs/dbraw/zinc/04/67/65/1073046765.db2.gz LKGANOKTSQHYTR-UQJRAWQTSA-N -1 0 581.261 5.007 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409234795 1073048426 /nfs/dbraw/zinc/04/84/26/1073048426.db2.gz YFXPIJGYGULPPB-YDZHTSKRSA-N -1 0 601.906 6.978 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC001531283004 1073048526 /nfs/dbraw/zinc/04/85/26/1073048526.db2.gz DKTHYKDOJUZREX-IPLSVKBZSA-N -1 0 565.468 5.814 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC001531283014 1073048558 /nfs/dbraw/zinc/04/85/58/1073048558.db2.gz DKTHYKDOJUZREX-XGJJFVPASA-N -1 0 565.468 5.814 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531283231 1073049659 /nfs/dbraw/zinc/04/96/59/1073049659.db2.gz NOUKJLDHFMNPBL-ZTCTXGLISA-N -1 0 564.436 5.841 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21 ZINC001531283271 1073050299 /nfs/dbraw/zinc/05/02/99/1073050299.db2.gz RTSYVRSSYDSTRX-HCMVPMCOSA-N -1 0 522.399 5.560 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531289473 1073056323 /nfs/dbraw/zinc/05/63/23/1073056323.db2.gz MFAFYZBGQQJJPM-WGNGTQIVSA-N -1 0 660.306 6.437 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC001531289648 1073057226 /nfs/dbraw/zinc/05/72/26/1073057226.db2.gz RZNCPZSJCAPALV-AMVVHIIESA-N -1 0 629.305 6.042 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531291945 1073062229 /nfs/dbraw/zinc/06/22/29/1073062229.db2.gz ALGBBYRNGJMSRZ-AMVVHIIESA-N -1 0 584.854 5.933 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC001531292617 1073064749 /nfs/dbraw/zinc/06/47/49/1073064749.db2.gz XHXNEFHTFYHPMF-JKPUNKBFSA-N -1 0 710.104 5.227 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531292636 1073064777 /nfs/dbraw/zinc/06/47/77/1073064777.db2.gz XTSPPHVBYOTBCL-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409230437 1073070507 /nfs/dbraw/zinc/07/05/07/1073070507.db2.gz DFMDJAPFBVEDTH-VCUCLJMBSA-N -1 0 553.036 6.258 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531297281 1073071479 /nfs/dbraw/zinc/07/14/79/1073071479.db2.gz YIKKXFAQTZTQGP-BRQOLZEGSA-N -1 0 579.407 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001531304524 1073082336 /nfs/dbraw/zinc/08/23/36/1073082336.db2.gz HPTTVDSVPCEUII-NSCUCBQXSA-N -1 0 528.790 6.166 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531304557 1073082687 /nfs/dbraw/zinc/08/26/87/1073082687.db2.gz IZDYALYFKLVSBI-TVQHPBQSSA-N -1 0 629.733 6.221 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531304668 1073083040 /nfs/dbraw/zinc/08/30/40/1073083040.db2.gz NTTAGCNKNKQQQN-JNKHFKFZSA-N -1 0 692.202 7.357 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531304718 1073083741 /nfs/dbraw/zinc/08/37/41/1073083741.db2.gz WMXAQBFLXYDDMW-YTFKJPEKSA-N -1 0 736.255 7.756 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409244461 1073089260 /nfs/dbraw/zinc/08/92/60/1073089260.db2.gz CZHYXOJCQZIVPP-VCUCLJMBSA-N -1 0 553.036 6.258 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531317344 1073091551 /nfs/dbraw/zinc/09/15/51/1073091551.db2.gz DMOLXAWXUGOYAU-VVEOGCPPSA-N -1 0 589.273 6.578 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC001531317758 1073092899 /nfs/dbraw/zinc/09/28/99/1073092899.db2.gz ROTPUROYLRFNNZ-HWFREFBRSA-N -1 0 704.359 6.835 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531318712 1073095703 /nfs/dbraw/zinc/09/57/03/1073095703.db2.gz UGOGEMZJSNMFFI-ZFQVWYPFSA-N -1 0 657.359 6.993 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S1 ZINC000409242658 1073096332 /nfs/dbraw/zinc/09/63/32/1073096332.db2.gz XLIJSZIPTYPOAP-VGOFMYFVSA-N -1 0 596.615 5.455 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(I)c2)S/C1=N/c1ccc(F)cc1 ZINC000409242427 1073096599 /nfs/dbraw/zinc/09/65/99/1073096599.db2.gz NLIQDFCHTPXIIH-GQINGBAWSA-N -1 0 652.223 5.122 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001531325230 1073098858 /nfs/dbraw/zinc/09/88/58/1073098858.db2.gz AONSGPICYJAVDZ-ASDXFMOLSA-N -1 0 596.232 5.077 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)[O-])cc1Br ZINC001531326424 1073102975 /nfs/dbraw/zinc/10/29/75/1073102975.db2.gz AGMFXNGDPBTQQS-RPPGKUMJSA-N -1 0 581.261 5.008 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC001531326322 1073102986 /nfs/dbraw/zinc/10/29/86/1073102986.db2.gz FOIDHCCYPZSNMG-KIBLKLHPSA-N -1 0 616.104 5.372 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001531329361 1073112724 /nfs/dbraw/zinc/11/27/24/1073112724.db2.gz SCOOXJYOASXSAA-PKCARXMOSA-N -1 0 528.790 6.166 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC001531333410 1073118311 /nfs/dbraw/zinc/11/83/11/1073118311.db2.gz NKMFAGCBUKUKPF-XHARTHDMSA-N -1 0 724.131 5.616 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531333419 1073118341 /nfs/dbraw/zinc/11/83/41/1073118341.db2.gz OQGKFTYNOHWAPT-RTHFECFVSA-N -1 0 643.332 6.603 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC001531340490 1073127676 /nfs/dbraw/zinc/12/76/76/1073127676.db2.gz DADHXGUAXLYWGT-HMWNXKSVSA-N -1 0 595.288 5.568 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001531340933 1073130404 /nfs/dbraw/zinc/13/04/04/1073130404.db2.gz ZEMPCSJOJPYFPP-MZJWZYIUSA-N -1 0 507.388 5.099 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC001531347199 1073135973 /nfs/dbraw/zinc/13/59/73/1073135973.db2.gz SBUVCDZPONJSCZ-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409248114 1073151336 /nfs/dbraw/zinc/15/13/36/1073151336.db2.gz GCULZUXMPYOKTF-AZVUZYGASA-N -1 0 516.619 5.784 40 30 KKEBRM CCCCCCC[C@H](O)CC(=O)N[C@H](CO)C(=O)O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCC)CC(=O)[O-] ZINC001534676444 1073172770 /nfs/dbraw/zinc/17/27/70/1073172770.db2.gz TUFUSJVDHPRNSG-YIPNQBBMSA-N -1 0 587.795 5.204 40 30 KKEBRM C=C(C)/C=C/C[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@](C)(CCC(=O)[O-])[C@H](C(=C)C)CC[C@@]12C ZINC001534688753 1073173179 /nfs/dbraw/zinc/17/31/79/1073173179.db2.gz KISITYOUWLWLNJ-QXTAJQHHSA-N -1 0 618.852 5.388 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409275019 1073303985 /nfs/dbraw/zinc/30/39/85/1073303985.db2.gz HEQLMXZLWKRVBR-ZDUSSCGKSA-N -1 0 567.341 5.759 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)cc21 ZINC000409276799 1073326593 /nfs/dbraw/zinc/32/65/93/1073326593.db2.gz WOAHAUMEHGSLEW-UHFFFAOYSA-N -1 0 575.577 5.986 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409287019 1073340112 /nfs/dbraw/zinc/34/01/12/1073340112.db2.gz RUTKABVHICWCFQ-UHFFFAOYSA-N -1 0 610.022 6.640 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409286704 1073343284 /nfs/dbraw/zinc/34/32/84/1073343284.db2.gz ZKJBFRANTRUDAB-UHFFFAOYSA-N -1 0 612.908 6.668 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409286523 1073344226 /nfs/dbraw/zinc/34/42/26/1073344226.db2.gz YYXVBBRNQIEDHT-CYBMUJFWSA-N -1 0 611.792 5.868 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409286128 1073349745 /nfs/dbraw/zinc/34/97/45/1073349745.db2.gz XWTRXICBECEMRQ-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409285667 1073354045 /nfs/dbraw/zinc/35/40/45/1073354045.db2.gz UPCUSSLTPKPVIT-ZDUSSCGKSA-N -1 0 581.261 5.178 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409285761 1073355057 /nfs/dbraw/zinc/35/50/57/1073355057.db2.gz OFGAVUYBXSXBAM-FQEVSTJZSA-N -1 0 574.559 6.224 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409285279 1073359040 /nfs/dbraw/zinc/35/90/40/1073359040.db2.gz SYIGUGAWJBZQCR-LBPRGKRZSA-N -1 0 660.157 5.940 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)o1 ZINC000409285075 1073360085 /nfs/dbraw/zinc/36/00/85/1073360085.db2.gz VZVWLTFRIGBLEV-UHFFFAOYSA-N -1 0 523.932 6.612 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@H](C)C(=O)[O-])c(Br)c3)cc21 ZINC000409285063 1073360135 /nfs/dbraw/zinc/36/01/35/1073360135.db2.gz MQRJHTSXWYHFKO-OAHLLOKOSA-N -1 0 562.376 5.315 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409285138 1073360891 /nfs/dbraw/zinc/36/08/91/1073360891.db2.gz WKYVKEYNMRSSDI-UHFFFAOYSA-N -1 0 676.305 6.055 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409285172 1073361226 /nfs/dbraw/zinc/36/12/26/1073361226.db2.gz WNBCCWUYZQHGJW-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])c3)cc21 ZINC000409285181 1073361488 /nfs/dbraw/zinc/36/14/88/1073361488.db2.gz VPFMKDMYGLSECA-UHFFFAOYSA-N -1 0 620.574 5.895 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409284740 1073366109 /nfs/dbraw/zinc/36/61/09/1073366109.db2.gz VUPQQOGILYNKOC-UHFFFAOYSA-N -1 0 658.303 6.287 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)[O-] ZINC000409284537 1073366642 /nfs/dbraw/zinc/36/66/42/1073366642.db2.gz LRKCDZWRQKMNAH-UHFFFAOYSA-N -1 0 641.272 6.079 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409284510 1073366789 /nfs/dbraw/zinc/36/67/89/1073366789.db2.gz UOCZHEPACLNJPH-UHFFFAOYSA-N -1 0 640.534 7.426 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(Br)c2)cc1C(C)C ZINC000409284318 1073371131 /nfs/dbraw/zinc/37/11/31/1073371131.db2.gz TZWMAZFSMFSLHW-UHFFFAOYSA-N -1 0 674.979 8.079 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccn3-c3ccc(C(=O)[O-])cc3)cc21 ZINC000409284056 1073371422 /nfs/dbraw/zinc/37/14/22/1073371422.db2.gz SCLFHURMISTTBU-UHFFFAOYSA-N -1 0 504.502 5.189 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)cc1OCC(=O)[O-] ZINC000409283354 1073379219 /nfs/dbraw/zinc/37/92/19/1073379219.db2.gz PLJTZWMNDXTJNZ-UHFFFAOYSA-N -1 0 592.402 5.325 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409283256 1073381951 /nfs/dbraw/zinc/38/19/51/1073381951.db2.gz OURCZLQYFCSXBR-UHFFFAOYSA-N -1 0 590.474 6.179 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409283085 1073382978 /nfs/dbraw/zinc/38/29/78/1073382978.db2.gz QKXUUMWCYPORLL-GOSISDBHSA-N -1 0 701.412 7.162 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409282806 1073386461 /nfs/dbraw/zinc/38/64/61/1073386461.db2.gz NZTZCXNKBZUYOB-UHFFFAOYSA-N -1 0 658.303 6.287 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409281943 1073396850 /nfs/dbraw/zinc/39/68/50/1073396850.db2.gz NOUKHHIZNABPSB-AWEZNQCLSA-N -1 0 689.744 7.121 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409281572 1073399081 /nfs/dbraw/zinc/39/90/81/1073399081.db2.gz MWNKDVXAZTXDJK-SFHVURJKSA-N -1 0 608.489 6.009 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408634741 195481663 /nfs/dbraw/zinc/48/16/63/195481663.db2.gz XDOBSQUHICFJAH-MZJWZYIUSA-N -1 0 609.100 7.331 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408851796 195491376 /nfs/dbraw/zinc/49/13/76/195491376.db2.gz GGKYPPUNQXVPGK-PCLIKHOPSA-N -1 0 511.534 5.186 40 30 KKEBRM C=CC(C)(C)n1cc(C2=C([O-])C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)C(=O)C2=O)c2ccccc21 ZINC000001565315 551684515 /nfs/dbraw/zinc/68/45/15/551684515.db2.gz KMHWTYMNRHJTQG-UHFFFAOYSA-N -1 0 506.602 6.828 40 30 in-vitro KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccccc4Br)c3=O)n2)cc1 ZINC000008397665 552997348 /nfs/dbraw/zinc/99/73/48/552997348.db2.gz IUSZSVVKDOQIEC-FAJYDZGRSA-N -1 0 532.423 5.800 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000008452783 553064400 /nfs/dbraw/zinc/06/44/00/553064400.db2.gz IRSDLSILWRZUTQ-LJOBNOHESA-N -1 0 516.619 6.201 40 30 KKEBRM CCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000012496170 553381849 /nfs/dbraw/zinc/38/18/49/553381849.db2.gz VUEVSNSXWMQNRO-NLRVBDNBSA-N -1 0 512.588 5.419 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012621748 553403707 /nfs/dbraw/zinc/40/37/07/553403707.db2.gz LVHSNKUFTPKDSR-ZMOGYAJESA-N -1 0 509.371 5.547 40 30 KKEBRM O=C([O-])c1ccc(/N=C2/C=CC3=N[C@@]45CCCC[C@@H]4[C@@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000013511736 553467557 /nfs/dbraw/zinc/46/75/57/553467557.db2.gz JWJQKUXXLPEPJD-FZFDLTPWSA-N -1 0 511.625 7.393 40 30 KKEBRM COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1OC ZINC000015013658 553525525 /nfs/dbraw/zinc/52/55/25/553525525.db2.gz ZTDMWUVTSLXIFA-ISPWMJFESA-N -1 0 504.564 5.215 40 30 KKEBRM [O-]c1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Cl)c2O)cc1-c1nc2ccccc2s1 ZINC000016450150 553565083 /nfs/dbraw/zinc/56/50/83/553565083.db2.gz ZNXVQGDWGMIRNK-FJEPWZHXSA-N -1 0 505.426 8.023 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000016681472 553572027 /nfs/dbraw/zinc/57/20/27/553572027.db2.gz UTNXYNOHMJGXSZ-UHFFFAOYSA-N -1 0 530.459 5.618 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 ZINC000016689055 553573455 /nfs/dbraw/zinc/57/34/55/553573455.db2.gz SFXFXTZZWMAENU-UHFFFAOYSA-N -1 0 529.633 5.861 40 30 KKEBRM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1/N=C/c1cc(Br)ccc1O)c1ccccc1 ZINC000018177256 553607539 /nfs/dbraw/zinc/60/75/39/553607539.db2.gz WJWRDPOVSCLORR-FOKLQQMPSA-N -1 0 500.201 6.013 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697874 553613416 /nfs/dbraw/zinc/61/34/16/553613416.db2.gz ASDBHPOHBLHBDB-FXBLIPKPSA-N -1 0 520.670 5.469 40 30 KKEBRM COc1ccccc1[C@H](C#N)N1CCCN([C@@H](C#N)c2ccccc2OC)C1c1cc(Cl)cc(Cl)c1[O-] ZINC000019326029 553613478 /nfs/dbraw/zinc/61/34/78/553613478.db2.gz HBZPDFHHUQKGPV-ZEQRLZLVSA-N -1 0 537.447 6.252 40 30 KKEBRM O=C([O-])C[C@H](CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000020076986 553676685 /nfs/dbraw/zinc/67/66/85/553676685.db2.gz GDYRNNJTXZQUSG-DVECYGJZSA-N -1 0 510.373 5.830 40 30 KKEBRM Cc1cc(C(c2ccc(Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)cc2)=C2C=CC(=[NH+]c3ccc4cc(S(=O)(=O)[O-])ccc4c3)C=C2)ccc1N ZINC000095100995 553699848 /nfs/dbraw/zinc/69/98/48/553699848.db2.gz OAJRBFOZEIWUIP-UHFFFAOYSA-N -1 0 713.837 8.821 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000096022322 553720772 /nfs/dbraw/zinc/72/07/72/553720772.db2.gz JYOFLZLSAHBBGN-LZHZFTAVSA-N -1 0 544.589 5.744 40 30 KKEBRM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1ccccc1OC(F)F ZINC000096398872 553753265 /nfs/dbraw/zinc/75/32/65/553753265.db2.gz CKEDYJDTKXAJHG-MXAYSNPKSA-N -1 0 510.906 5.487 40 30 KKEBRM Cc1c2c(c(C)c(S(=O)(=O)N=C(NCCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])NOC(C)(C)C)c1C)CC(C)(C)O2 ZINC000097950246 553803668 /nfs/dbraw/zinc/80/36/68/553803668.db2.gz UDIPZEZHWQHPAA-HKBQPEDESA-N -1 0 720.889 6.051 40 30 KKEBRM CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC)c1ccc(OC(F)F)cc1 ZINC000033897511 553976073 /nfs/dbraw/zinc/97/60/73/553976073.db2.gz DUYXJIHYMFOAJO-ITYLOYPMSA-N -1 0 520.514 5.232 40 30 KKEBRM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000097980703 553990699 /nfs/dbraw/zinc/99/06/99/553990699.db2.gz UEXANLCMHOTNNY-QRVIBDJDSA-N -1 0 523.796 5.648 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N\C4CCCCC4)N(C4CCCCC4)C3=O)o2)cc1Cl ZINC000035362382 554044621 /nfs/dbraw/zinc/04/46/21/554044621.db2.gz GRJMFJJLDRQBDE-HVSIYQNKSA-N -1 0 513.059 7.236 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC ZINC000035656840 554061981 /nfs/dbraw/zinc/06/19/81/554061981.db2.gz DWJKLNWXXJHWII-MKMXVRELSA-N -1 0 517.401 5.345 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000035656603 554062078 /nfs/dbraw/zinc/06/20/78/554062078.db2.gz LOKFNSXEGMRFNX-KOAGXIKISA-N -1 0 506.555 5.735 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OC ZINC000035657046 554062390 /nfs/dbraw/zinc/06/23/90/554062390.db2.gz PXXNGOBACSWIFU-DLIIZKKJSA-N -1 0 505.390 5.179 40 30 KKEBRM Cc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5Cl)cc4)ccc3[O-])nc2c1 ZINC000100133674 554226166 /nfs/dbraw/zinc/22/61/66/554226166.db2.gz IFRNUGRGKMCVDC-IBBHUPRXSA-N -1 0 517.368 7.785 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000100236937 554258907 /nfs/dbraw/zinc/25/89/07/554258907.db2.gz UPOBJJFKAMAVAY-FPOHZDDLSA-N -1 0 540.597 6.370 40 30 KKEBRM CC/N=C1\S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N1CC ZINC000100248956 554262030 /nfs/dbraw/zinc/26/20/30/554262030.db2.gz MWSXDMKKAPDLEL-GQKMNLJRSA-N -1 0 533.444 5.437 40 30 KKEBRM COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1OC ZINC000039940489 554281241 /nfs/dbraw/zinc/28/12/41/554281241.db2.gz ZTDMWUVTSLXIFA-KXXSZAMISA-N -1 0 504.564 5.215 40 30 KKEBRM COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)cc1 ZINC000100362845 554346879 /nfs/dbraw/zinc/34/68/79/554346879.db2.gz HQFNXNYQHCVCIV-KBKYJPHKSA-N -1 0 607.349 7.017 40 30 KKEBRM CC/N=C1\S/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N1CC ZINC000059104238 554379437 /nfs/dbraw/zinc/37/94/37/554379437.db2.gz FQDSDIISALWSHI-XYFUTXSQSA-N -1 0 519.417 5.047 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000059135030 554381245 /nfs/dbraw/zinc/38/12/45/554381245.db2.gz WYPMZXLGWWGAAA-OEAKJJBVSA-N -1 0 520.944 6.302 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000059135588 554381473 /nfs/dbraw/zinc/38/14/73/554381473.db2.gz NKCPYZDLJPRLEO-ZVHZXABRSA-N -1 0 511.509 5.520 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000059135613 554381549 /nfs/dbraw/zinc/38/15/49/554381549.db2.gz MCFCWZBGZIQARD-PCLIKHOPSA-N -1 0 514.553 5.711 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000059135606 554381608 /nfs/dbraw/zinc/38/16/08/554381608.db2.gz ZGDXSXFVULWUCC-HZHRSRAPSA-N -1 0 518.516 6.178 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccccc1 ZINC000059135890 554381692 /nfs/dbraw/zinc/38/16/92/554381692.db2.gz NCTOLPZDYAWVFX-RCCKNPSSSA-N -1 0 502.567 5.813 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc2ccccc21 ZINC000059136348 554382494 /nfs/dbraw/zinc/38/24/94/554382494.db2.gz FJSGSYVWBOKABJ-XIEYBQDHSA-N -1 0 522.601 6.958 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000059136345 554382688 /nfs/dbraw/zinc/38/26/88/554382688.db2.gz BWEATYIFZIRXBY-DEDYPNTBSA-N -1 0 516.550 5.534 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 ZINC000100457425 554396661 /nfs/dbraw/zinc/39/66/61/554396661.db2.gz FZSPIBRGJJRHLD-OKCVXOCRSA-N -1 0 610.396 9.159 40 30 KKEBRM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3nc(Sc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)sc3c2)c1 ZINC000100457461 554397012 /nfs/dbraw/zinc/39/70/12/554397012.db2.gz HPYCUPXYQDBOLR-OCSSWDANSA-N -1 0 592.666 7.484 40 30 KKEBRM CCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000100495655 554404355 /nfs/dbraw/zinc/40/43/55/554404355.db2.gz XCXBEEZYOLMNRL-UHFFFAOYSA-N -1 0 563.704 6.962 40 30 KKEBRM Cc1ccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3)nc2c1 ZINC000100502881 554406396 /nfs/dbraw/zinc/40/63/96/554406396.db2.gz NKIYHQKLCNTKMQ-BHGWPJFGSA-N -1 0 580.163 6.469 40 30 KKEBRM Cc1cc(N=NC(C)c2ccc(I)cc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000100506602 554407845 /nfs/dbraw/zinc/40/78/45/554407845.db2.gz NVWBQWNKRODOGJ-OPEKNORGSA-N -1 0 602.068 6.123 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000100561521 554418081 /nfs/dbraw/zinc/41/80/81/554418081.db2.gz AWOIABCTICOLJH-FQEVSTJZSA-N -1 0 520.276 6.390 40 30 KKEBRM CCCCCCCCCCCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCCCCCCCCCCC ZINC000059663825 554421772 /nfs/dbraw/zinc/42/17/72/554421772.db2.gz VDEOXEQWXZOLLM-UHFFFAOYSA-N -1 0 544.773 8.916 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)CN6C(=O)CSC6=S)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000059690945 554424896 /nfs/dbraw/zinc/42/48/96/554424896.db2.gz QFDNGNBSMJPXHH-OCYORJJGSA-N -1 0 642.928 7.632 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100927273 554524630 /nfs/dbraw/zinc/52/46/30/554524630.db2.gz CWPSPGYVCAJNNB-CTMKFROTSA-N -1 0 601.906 7.012 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000100926993 554524679 /nfs/dbraw/zinc/52/46/79/554524679.db2.gz YUHBSMKEIFVPIE-GXMXPRDMSA-N -1 0 526.973 5.999 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100937058 554531036 /nfs/dbraw/zinc/53/10/36/554531036.db2.gz KSTPSKGIFLRVAC-ZQQCWGMFSA-N -1 0 523.408 5.960 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000100938006 554531270 /nfs/dbraw/zinc/53/12/70/554531270.db2.gz DQVSOQNFGVRZNT-IVUPGEOZSA-N -1 0 538.625 6.750 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000100937666 554531360 /nfs/dbraw/zinc/53/13/60/554531360.db2.gz BRDJEDRXJKYXOM-FPOHZDDLSA-N -1 0 524.598 6.359 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000100938821 554531679 /nfs/dbraw/zinc/53/16/79/554531679.db2.gz LVCBHFXMPCGOEK-HSHBOIIWSA-N -1 0 533.993 5.731 40 30 KKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1[O-] ZINC000100958015 554540882 /nfs/dbraw/zinc/54/08/82/554540882.db2.gz FNFRYYGDWXUGFS-ASFRMHBNSA-N -1 0 528.187 6.317 40 30 KKEBRM COc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])ccc3o2)cc1Br ZINC000100958269 554541144 /nfs/dbraw/zinc/54/11/44/554541144.db2.gz ORDZDWSDAFAJNN-IBBHUPRXSA-N -1 0 592.833 7.875 40 30 KKEBRM C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)c([O-])c(Br)c1)Nc1ccccc1-2 ZINC000101002556 554553104 /nfs/dbraw/zinc/55/31/04/554553104.db2.gz MTFVTQLTDYGYSG-KRWDZBQOSA-N -1 0 522.222 5.550 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(Br)cc(Br)c3[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000101007626 554555409 /nfs/dbraw/zinc/55/54/09/554555409.db2.gz OLOVUDCNXZNLAM-XNLNZBGWSA-N -1 0 586.349 7.851 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000101015029 554559319 /nfs/dbraw/zinc/55/93/19/554559319.db2.gz GMEKWXUKQFTYSI-AIXYSIKJSA-N -1 0 527.708 6.850 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OC ZINC000101015000 554559342 /nfs/dbraw/zinc/55/93/42/554559342.db2.gz KTSKLQDXWASIMP-MAOKGRDPSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCCC)C(=O)[O-])C2=O)cc1OC ZINC000101014950 554559371 /nfs/dbraw/zinc/55/93/71/554559371.db2.gz VBBXOKMPIKKMAM-PMIIVDBNSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCCC)C(=O)[O-])C2=O)cc1OC ZINC000101014953 554559379 /nfs/dbraw/zinc/55/93/79/554559379.db2.gz VBBXOKMPIKKMAM-ICOFNPIBSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OC ZINC000101015102 554559471 /nfs/dbraw/zinc/55/94/71/554559471.db2.gz VWZJHYHNBKPEPD-WCIBBKAISA-N -1 0 513.681 6.927 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OCC ZINC000101015247 554559743 /nfs/dbraw/zinc/55/97/43/554559743.db2.gz VLQVZKAZTABFKA-SIAYSZBRSA-N -1 0 555.762 7.110 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101015301 554560000 /nfs/dbraw/zinc/56/00/00/554560000.db2.gz RFZZKFXBDHICTM-LEBHPONQSA-N -1 0 543.707 7.023 40 30 KKEBRM CC/N=C1/S/C(=C/c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)C(=O)N1CC ZINC000101655289 554819464 /nfs/dbraw/zinc/81/94/64/554819464.db2.gz MMPOZSVIBIXQKV-XXZJRBTDSA-N -1 0 533.444 5.437 40 30 KKEBRM N#C[C@@H](C(N)=O)[C@@H](c1c(-c2ccccc2)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102134769 554887484 /nfs/dbraw/zinc/88/74/84/554887484.db2.gz PNWGDFJSFHZKND-NHTMILBNSA-N -1 0 570.472 5.349 40 30 KKEBRM N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000102917584 555144388 /nfs/dbraw/zinc/14/43/88/555144388.db2.gz XBUSUHDJJXJPTO-UHSQPCAPSA-N -1 0 500.510 5.144 40 30 KKEBRM Cc1cc([N-]S(=O)(=O)c2ccc(N3Cc4ccccc4/C3=N\C(=O)c3ccc(Cl)cc3Cl)cc2)no1 ZINC000102923212 555147748 /nfs/dbraw/zinc/14/77/48/555147748.db2.gz RXHCJCLXBNHVFS-ZZIIXHQDSA-N -1 0 541.416 5.698 40 30 KKEBRM Cc1cc2ccccn2c1C(=O)c1ccc(N=NCc2cc(Br)c([O-])c(Br)c2)c([N+](=O)[O-])c1 ZINC000102938193 555166421 /nfs/dbraw/zinc/16/64/21/555166421.db2.gz LCRZWJNXUNYGNU-RPPGKUMJSA-N -1 0 572.213 6.064 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(OC(F)F)cc2OC(F)F)c(C)c1 ZINC000102980347 555187470 /nfs/dbraw/zinc/18/74/70/555187470.db2.gz ORKIOBQEWYNEQS-KVSWJAHQSA-N -1 0 556.494 5.661 40 30 KKEBRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1N=NCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000102983553 555189444 /nfs/dbraw/zinc/18/94/44/555189444.db2.gz ZQYZVAFOXYVMDW-STBIYBPSSA-N -1 0 546.008 6.643 40 30 KKEBRM Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000102984234 555189884 /nfs/dbraw/zinc/18/98/84/555189884.db2.gz WAGOQCHPKMENPR-RDRPBHBLSA-N -1 0 580.070 5.589 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Br)cc1 ZINC000102984201 555189907 /nfs/dbraw/zinc/18/99/07/555189907.db2.gz JBNICMGFPBFFEK-OEAKJJBVSA-N -1 0 519.377 5.003 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)cc1 ZINC000102984132 555189974 /nfs/dbraw/zinc/18/99/74/555189974.db2.gz FRYMKUXPMFCOCH-MTDXEUNCSA-N -1 0 532.578 5.429 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c2ccccc2c(Cl)c2ccccc21 ZINC000102984166 555190005 /nfs/dbraw/zinc/19/00/05/555190005.db2.gz OBBPZTOFBGEMPO-OCSSWDANSA-N -1 0 561.019 6.810 40 30 KKEBRM O=[N+]([O-])c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000102984247 555190194 /nfs/dbraw/zinc/19/01/94/555190194.db2.gz HCSFSCPFVDLQQC-UXHLAJHPSA-N -1 0 573.034 6.348 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)OCC ZINC000103001423 555201230 /nfs/dbraw/zinc/20/12/30/555201230.db2.gz XWFHSBUIROKMJX-RUZDIDTESA-N -1 0 520.711 7.152 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3ccc([O-])c([N+](=O)[O-])c3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000103762762 555471780 /nfs/dbraw/zinc/47/17/80/555471780.db2.gz MPJZPPGHCXNGMG-MUFRIFMGSA-N -1 0 525.611 7.303 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(Sc3nc(N4CCCCC4)nc(N4CCCCC4)n3)sc2c1 ZINC000103762457 555471876 /nfs/dbraw/zinc/47/18/76/555471876.db2.gz 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FJQPDHBKZQLXEY-BUVRLJJBSA-N -1 0 579.422 5.961 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000103850695 571364574 /nfs/dbraw/zinc/36/45/74/571364574.db2.gz XSRCEGMSAXKRHZ-WSDLNYQXSA-N -1 0 555.389 6.115 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000103850669 571364658 /nfs/dbraw/zinc/36/46/58/571364658.db2.gz MPIQIOXTQYMGGI-WGOQTCKBSA-N -1 0 585.429 6.715 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103850638 571364682 /nfs/dbraw/zinc/36/46/82/571364682.db2.gz KSKBCSNXTHTJMF-LPYMAVHISA-N -1 0 553.359 5.701 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000103850648 571364719 /nfs/dbraw/zinc/36/47/19/571364719.db2.gz FESLLRQHNMHFCE-YDZHTSKRSA-N -1 0 560.379 5.434 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000103850806 571364730 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O=C([O-])[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344390 571459325 /nfs/dbraw/zinc/45/93/25/571459325.db2.gz HPNULWLLEOKCID-WITFEUSKSA-N -1 0 662.089 6.781 40 30 KKEBRM O=P([O-])(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150344494 571459421 /nfs/dbraw/zinc/45/94/21/571459421.db2.gz AFWOYEYXUDHGHF-UHFFFAOYSA-N -1 0 990.194 11.919 40 30 in-vitro KKEBRM CC(C)OC(=O)c1ccccc1C(c1cc(Br)c([O-])c(Br)c1)=C1C=C(Br)C(=O)C(Br)=C1 ZINC000150361206 571463787 /nfs/dbraw/zinc/46/37/87/571463787.db2.gz LLJOTVJDOVGQAD-UHFFFAOYSA-N -1 0 675.993 7.425 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(I)cc(I)c2[O-])sc2c1CCCC2 ZINC000150361448 571463832 /nfs/dbraw/zinc/46/38/32/571463832.db2.gz WIOYOQLUHOPJKV-WKIKZPBSSA-N -1 0 642.300 6.222 40 30 KKEBRM CC(C)CC(Nc1ccc(COC(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000150369351 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NGPDWNZNGOIUNF-YDZHTSKRSA-N -1 0 652.441 5.393 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000164319291 571545590 /nfs/dbraw/zinc/54/55/90/571545590.db2.gz DGSSXDGXMTYFEF-XZYGTATASA-N -1 0 701.661 9.044 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000164318795 571545666 /nfs/dbraw/zinc/54/56/66/571545666.db2.gz BTSMYNCCXZEJIQ-FYQRBGNNSA-N -1 0 644.385 7.608 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164348245 571546275 /nfs/dbraw/zinc/54/62/75/571546275.db2.gz GDFDHWKESNEEAX-WCMJOSRZSA-N -1 0 686.046 8.544 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000164409415 571547517 /nfs/dbraw/zinc/54/75/17/571547517.db2.gz NOKDDQJNJOPKJB-KGENOOAVSA-N -1 0 628.463 5.578 40 30 KKEBRM C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000204880324 571569409 /nfs/dbraw/zinc/56/94/09/571569409.db2.gz YWLYGSSMGSIXLN-OFRPTLSZSA-N -1 0 670.851 5.120 40 30 KKEBRM CCCCCON=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603845 572129443 /nfs/dbraw/zinc/12/94/43/572129443.db2.gz NZLFPVCWUJGSPW-VCKKYXMMSA-N -1 0 810.938 6.295 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(Cl)cc4)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408528182 572163018 /nfs/dbraw/zinc/16/30/18/572163018.db2.gz CZHZOFGJXYXTBK-FILPIMBOSA-N -1 0 609.918 8.733 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408530200 572170885 /nfs/dbraw/zinc/17/08/85/572170885.db2.gz LGPALPMZAACDIA-MTJSOVHGSA-N -1 0 620.852 6.122 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408531324 572175574 /nfs/dbraw/zinc/17/55/74/572175574.db2.gz LPZBVEPMVIYZAP-OGJGDWFSSA-N -1 0 599.108 8.051 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408532869 572181465 /nfs/dbraw/zinc/18/14/65/572181465.db2.gz WLQPFRYGLPKMPY-YQTYGERVSA-N -1 0 684.395 8.850 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408535181 572187947 /nfs/dbraw/zinc/18/79/47/572187947.db2.gz YFNSMISBWJGBMT-GLACDVFLSA-N -1 0 657.586 8.550 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408536784 572192132 /nfs/dbraw/zinc/19/21/32/572192132.db2.gz BCAHRLZBDFXVTJ-XDHOZWIPSA-N -1 0 626.773 7.579 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408536754 572192230 /nfs/dbraw/zinc/19/22/30/572192230.db2.gz AXCJUXPPPGFXSF-MOSHPQCFSA-N -1 0 529.977 5.663 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408537195 572193702 /nfs/dbraw/zinc/19/37/02/572193702.db2.gz CQGXAQOQQCTMEG-XLNRJJMWSA-N -1 0 512.990 5.532 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408538104 572196872 /nfs/dbraw/zinc/19/68/72/572196872.db2.gz JCXCPPITNNEGNC-UNOMPAQXSA-N -1 0 623.298 6.526 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408538112 572197085 /nfs/dbraw/zinc/19/70/85/572197085.db2.gz JEJJIAFSGRXYLC-DIBXZPPDSA-N -1 0 591.104 7.333 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408538308 572197560 /nfs/dbraw/zinc/19/75/60/572197560.db2.gz KSKBWNFGUBZDMD-UYRXBGFRSA-N -1 0 594.300 6.323 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000408538483 572198501 /nfs/dbraw/zinc/19/85/01/572198501.db2.gz NRVWAKKHANNRAU-ITYLOYPMSA-N -1 0 595.523 7.978 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000408538578 572198631 /nfs/dbraw/zinc/19/86/31/572198631.db2.gz ABJRXMJFJNVDGH-AQTBWJFISA-N -1 0 626.773 7.579 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408538661 572199134 /nfs/dbraw/zinc/19/91/34/572199134.db2.gz BFHOQDPPKQWZMT-DEDYPNTBSA-N -1 0 519.425 6.408 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408538912 572199986 /nfs/dbraw/zinc/19/99/86/572199986.db2.gz RFRGIVHDKKXXSJ-QNGOZBTKSA-N -1 0 587.467 5.650 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408539791 572203337 /nfs/dbraw/zinc/20/33/37/572203337.db2.gz JSUOWCFAALFCFO-PGMHBOJBSA-N -1 0 559.526 6.418 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408539771 572203413 /nfs/dbraw/zinc/20/34/13/572203413.db2.gz YUGRBQHZTBEFPN-JCMHNJIXSA-N -1 0 557.485 6.480 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408540854 572206936 /nfs/dbraw/zinc/20/69/36/572206936.db2.gz WNRWINCVLCGNPQ-FXBPSFAMSA-N -1 0 513.034 6.453 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(C[C@H]4CCCO4)C3=O)c3ccccc32)o1 ZINC000408543654 572213240 /nfs/dbraw/zinc/21/32/40/572213240.db2.gz RXEYBJUBELWYFH-SZMBTYDUSA-N -1 0 527.602 5.764 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(CCc4ccccc4)C3=O)c3ccccc32)o1 ZINC000408545107 572217632 /nfs/dbraw/zinc/21/76/32/572217632.db2.gz ZCDHOBIIOKMRON-BTFHXEKZSA-N -1 0 547.636 6.828 40 30 KKEBRM C=CCOc1c(I)cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1I ZINC000408630491 572286180 /nfs/dbraw/zinc/28/61/80/572286180.db2.gz AJKIEQNGCAXOKU-MFOYZWKCSA-N -1 0 695.704 6.126 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1Br ZINC000408631269 572287301 /nfs/dbraw/zinc/28/73/01/572287301.db2.gz CVPULMGQUULOLS-LSCVHKIXSA-N -1 0 598.269 6.061 40 30 KKEBRM C=CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1Br ZINC000408633833 572290690 /nfs/dbraw/zinc/29/06/90/572290690.db2.gz PVONSPMUXMANHZ-ZDLGFXPLSA-N -1 0 523.792 5.944 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1Br ZINC000408634456 572291473 /nfs/dbraw/zinc/29/14/73/572291473.db2.gz UVRFXIZHJJZCGM-JMIUGGIZSA-N -1 0 625.339 6.290 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2OCc2ccc(C#N)cc2)C(=O)[O-])o1 ZINC000408634726 572291834 /nfs/dbraw/zinc/29/18/34/572291834.db2.gz WYFLQPLSTKFFRA-FMCGGJTJSA-N -1 0 519.966 6.067 40 30 KKEBRM C=CCOc1c(Br)cc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1Br ZINC000408634885 572291986 /nfs/dbraw/zinc/29/19/86/572291986.db2.gz XPXFMSMSVNBVHP-LSCVHKIXSA-N -1 0 597.285 5.797 40 30 KKEBRM COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(I)c1OCc1ccccc1C#N ZINC000408635027 572292086 /nfs/dbraw/zinc/29/20/86/572292086.db2.gz WVKIQRAOSPFOQN-UUYOSTAYSA-N -1 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CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409055046 1070475430 /nfs/dbraw/zinc/47/54/30/1070475430.db2.gz HUGDUXRSUQENHS-UHFFFAOYSA-N -1 0 582.524 7.343 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl ZINC000409064663 1070480331 /nfs/dbraw/zinc/48/03/31/1070480331.db2.gz DHHUEYCGIQQFDG-UHFFFAOYSA-N -1 0 570.469 6.469 40 30 KKEBRM CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409064690 1070480356 /nfs/dbraw/zinc/48/03/56/1070480356.db2.gz FHDJFVXGKZAHHW-UHFFFAOYSA-N -1 0 544.486 6.008 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-] ZINC000409074488 1070486692 /nfs/dbraw/zinc/48/66/92/1070486692.db2.gz MBJWTIVKUOWMOI-UHFFFAOYSA-N -1 0 557.687 6.087 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074822 1070487473 /nfs/dbraw/zinc/48/74/73/1070487473.db2.gz SBIWONFIHIQPTG-UHFFFAOYSA-N -1 0 741.663 7.689 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccccc1Cl ZINC000409074887 1070487482 /nfs/dbraw/zinc/48/74/82/1070487482.db2.gz NTSBXHAYQMIBCL-UHFFFAOYSA-N -1 0 632.197 7.816 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075393 1070488433 /nfs/dbraw/zinc/48/84/33/1070488433.db2.gz YBOLKFXILXIBQN-UHFFFAOYSA-N -1 0 768.066 6.881 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409075849 1070489176 /nfs/dbraw/zinc/48/91/76/1070489176.db2.gz YNAZKBBWKQMVOI-XSFVSMFZSA-N -1 0 537.399 5.976 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(F)c1 ZINC000409075801 1070489207 /nfs/dbraw/zinc/48/92/07/1070489207.db2.gz YDTLGTJFWMRUDV-UHFFFAOYSA-N -1 0 575.677 6.574 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069521 1070494756 /nfs/dbraw/zinc/49/47/56/1070494756.db2.gz JJZLRNGUIOXUSH-PCLIKHOPSA-N -1 0 595.073 5.518 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409070848 1070496271 /nfs/dbraw/zinc/49/62/71/1070496271.db2.gz PCCBCBDUJJJDPR-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409070050 1070495596 /nfs/dbraw/zinc/49/55/96/1070495596.db2.gz MSZKGGHDVIIBST-PXLXIMEGSA-N -1 0 551.426 6.366 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409071349 1070497169 /nfs/dbraw/zinc/49/71/69/1070497169.db2.gz QTAFHBOSUUFBOG-UHFFFAOYSA-N -1 0 624.926 6.303 40 30 KKEBRM CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OCC ZINC000409071409 1070497193 /nfs/dbraw/zinc/49/71/93/1070497193.db2.gz RGIUSESGNKHBJN-UHFFFAOYSA-N -1 0 502.007 5.416 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000409072327 1070498432 /nfs/dbraw/zinc/49/84/32/1070498432.db2.gz BSCBZCHZEDUSRB-UHFFFAOYSA-N -1 0 507.627 5.203 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])cc1 ZINC000409074363 1070501070 /nfs/dbraw/zinc/50/10/70/1070501070.db2.gz QDQZBGGFBJAXLH-UHFFFAOYSA-N -1 0 513.634 6.036 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409079421 1070515234 /nfs/dbraw/zinc/51/52/34/1070515234.db2.gz FTTBBMNIGDKNLX-AAYNNKITSA-N -1 0 676.532 7.776 40 30 KKEBRM COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409079587 1070515659 /nfs/dbraw/zinc/51/56/59/1070515659.db2.gz LCTIBYLMAKQKRT-ODLFYWEKSA-N -1 0 508.324 5.079 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087338 1070520226 /nfs/dbraw/zinc/52/02/26/1070520226.db2.gz 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/nfs/dbraw/zinc/70/17/71/1070701771.db2.gz BDFLADCURCWQAE-UHFFFAOYSA-N -1 0 608.489 6.011 40 30 KKEBRM C[C@@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409277668 1070702706 /nfs/dbraw/zinc/70/27/06/1070702706.db2.gz BNXUKSHYYBLVTO-QGZVFWFLSA-N -1 0 531.490 5.970 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409279270 1070726992 /nfs/dbraw/zinc/72/69/92/1070726992.db2.gz GWEGKYQLKZLGPX-UHFFFAOYSA-N -1 0 624.993 6.539 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Cl)C(=O)[O-] ZINC000409281632 1070731708 /nfs/dbraw/zinc/73/17/08/1070731708.db2.gz LHGQMSOQWTZHKU-CQSZACIVSA-N -1 0 522.344 5.851 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409293707 1070748847 /nfs/dbraw/zinc/74/88/47/1070748847.db2.gz LMDRGVYVYYGFLY-UHFFFAOYSA-N -1 0 618.079 6.685 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409292020 1070744918 /nfs/dbraw/zinc/74/49/18/1070744918.db2.gz FEIZMANWXACODU-UHFFFAOYSA-N -1 0 599.279 6.204 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409288376 1070757700 /nfs/dbraw/zinc/75/77/00/1070757700.db2.gz GTAZMKFILPZCKW-UHFFFAOYSA-N -1 0 558.068 5.569 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br ZINC000409287042 1070754044 /nfs/dbraw/zinc/75/40/44/1070754044.db2.gz RZEMLCIBFFJGDL-UHFFFAOYSA-N -1 0 597.219 5.680 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409288212 1070757152 /nfs/dbraw/zinc/75/71/52/1070757152.db2.gz DVLKMNQPBDBOOJ-UHFFFAOYSA-N -1 0 696.975 7.448 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409289748 1070760700 /nfs/dbraw/zinc/76/07/00/1070760700.db2.gz OTRVSPDHHKNSHM-UHFFFAOYSA-N -1 0 606.635 6.572 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409290257 1070762179 /nfs/dbraw/zinc/76/21/79/1070762179.db2.gz KPKUFIRDBJVCBL-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC000409295927 1070765692 /nfs/dbraw/zinc/76/56/92/1070765692.db2.gz GLHBBLOLRKDBEB-UHFFFAOYSA-N -1 0 642.216 5.589 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000409296210 1070766213 /nfs/dbraw/zinc/76/62/13/1070766213.db2.gz SLEJGDWFCGXJPG-UHFFFAOYSA-N -1 0 514.763 5.776 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)cc21 ZINC000409298603 1070771715 /nfs/dbraw/zinc/77/17/15/1070771715.db2.gz OYHQAAGRTKHVOB-UHFFFAOYSA-N -1 0 535.310 5.077 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409300037 1070774839 /nfs/dbraw/zinc/77/48/39/1070774839.db2.gz UBKSOVVUNTZIHO-CYBMUJFWSA-N -1 0 611.792 5.868 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409300840 1070776801 /nfs/dbraw/zinc/77/68/01/1070776801.db2.gz ANUHCJFARSFGLP-UHFFFAOYSA-N -1 0 571.771 5.188 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409303149 1070782386 /nfs/dbraw/zinc/78/23/86/1070782386.db2.gz GGFPQRWKYDBGAR-UHFFFAOYSA-N -1 0 650.121 6.152 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cccc2[N+](=O)[O-])cc1 ZINC000409310232 1070791274 /nfs/dbraw/zinc/79/12/74/1070791274.db2.gz SMQIJKFJFSAYRN-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409313201 1070795800 /nfs/dbraw/zinc/79/58/00/1070795800.db2.gz OTJIVIVRSBEVIF-HOTGVXAUSA-N -1 0 542.430 5.144 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409305111 1070798752 /nfs/dbraw/zinc/79/87/52/1070798752.db2.gz LWEIQMHUWFVRMM-UHFFFAOYSA-N -1 0 694.174 6.551 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Br)c1 ZINC000409307180 1070805248 /nfs/dbraw/zinc/80/52/48/1070805248.db2.gz RMVMAONATGZVKP-UHFFFAOYSA-N -1 0 639.344 7.129 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409316222 1070818988 /nfs/dbraw/zinc/81/89/88/1070818988.db2.gz LJGAWQIUPIBEFW-GFCCVEGCSA-N -1 0 615.706 5.660 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409317081 1070821188 /nfs/dbraw/zinc/82/11/88/1070821188.db2.gz ONETYSXMBVEPMU-INIZCTEOSA-N -1 0 609.433 5.749 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409318022 1070822812 /nfs/dbraw/zinc/82/28/12/1070822812.db2.gz UHNFKYLNJYRQNG-SFHVURJKSA-N -1 0 571.475 6.564 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000409318671 1070824483 /nfs/dbraw/zinc/82/44/83/1070824483.db2.gz WWJIOHWZSWXGNS-IBGZPJMESA-N -1 0 565.468 5.643 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(Br)cc1 ZINC000409333848 1070838920 /nfs/dbraw/zinc/83/89/20/1070838920.db2.gz DOCKUBNKHQLLJX-YEWWOHFJSA-N -1 0 501.427 5.911 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409325885 1070843872 /nfs/dbraw/zinc/84/38/72/1070843872.db2.gz CGMGQHGRPNOFOX-HNNXBMFYSA-N -1 0 647.751 7.248 40 30 KKEBRM C=CCOc1c(Br)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1Br ZINC000409336522 1070857234 /nfs/dbraw/zinc/85/72/34/1070857234.db2.gz OSXHWGLMQACILC-ALZKLBIISA-N -1 0 500.237 5.651 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)SC2=N)s1 ZINC000409336961 1070857563 /nfs/dbraw/zinc/85/75/63/1070857563.db2.gz ROLXRRWMXGWJPM-SYYZSARLSA-N -1 0 579.339 6.622 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409336877 1070858232 /nfs/dbraw/zinc/85/82/32/1070858232.db2.gz VCWPTVOJTMBOMU-GOSISDBHSA-N -1 0 571.475 6.564 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(I)c1OCc1ccc(Br)cc1 ZINC000409337678 1070859413 /nfs/dbraw/zinc/85/94/13/1070859413.db2.gz XULYXJHAROFOHQ-CJFBKLJESA-N -1 0 627.323 6.516 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409406164 1070925010 /nfs/dbraw/zinc/92/50/10/1070925010.db2.gz WJZWVSHVAGVPIN-UHFFFAOYSA-N -1 0 539.975 5.885 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@]1(C)C(=O)[O-] ZINC000255976767 1070936431 /nfs/dbraw/zinc/93/64/31/1070936431.db2.gz HMMGKOVEOFBCAU-XOYSWJFWSA-N -1 0 512.731 6.839 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OCC ZINC000408899688 1070942831 /nfs/dbraw/zinc/94/28/31/1070942831.db2.gz PWIMGGUWDJOEGZ-ZHZULCJRSA-N -1 0 590.414 5.100 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408908985 1070980267 /nfs/dbraw/zinc/98/02/67/1070980267.db2.gz BHEXYPGHMVPAOT-PKNUDXBSSA-N -1 0 581.488 6.076 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)O[C@@H]1c1cccc(OC)c1OCC(=O)[O-] ZINC000585266395 1070990482 /nfs/dbraw/zinc/99/04/82/1070990482.db2.gz ZCKGZTGJSDQAOJ-KSZYUSJVSA-N -1 0 510.989 7.130 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408917218 1070993087 /nfs/dbraw/zinc/99/30/87/1070993087.db2.gz PFYCOYYJFHXMHC-IWIPYMOSSA-N -1 0 516.594 5.282 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408917161 1070992425 /nfs/dbraw/zinc/99/24/25/1070992425.db2.gz OBJJBLDBTGKQTF-WSKZCEGPSA-N -1 0 629.532 7.539 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)S/C2=N/c2ccccc2)cc1 ZINC000408917230 1070993555 /nfs/dbraw/zinc/99/35/55/1070993555.db2.gz PMCASNFYOGXIDQ-FPOHZDDLSA-N -1 0 524.598 6.766 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408917044 1070994142 /nfs/dbraw/zinc/99/41/42/1070994142.db2.gz LKGOPMOXYNUYQI-LERWUDDOSA-N -1 0 639.524 6.292 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](C(C)C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263939 1070994312 /nfs/dbraw/zinc/99/43/12/1070994312.db2.gz JIKQMYQWOPJLKJ-JMJJJEBOSA-N -1 0 567.553 9.052 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@@H](CCC)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263949 1070994335 /nfs/dbraw/zinc/99/43/35/1070994335.db2.gz ODQMAKOOPSMLJL-CKBQXNTFSA-N -1 0 553.526 8.806 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408916885 1070995463 /nfs/dbraw/zinc/99/54/63/1070995463.db2.gz HZIGQTVVNSZGRN-XQBURHPFSA-N -1 0 564.663 7.085 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S/C2=N/c2ccccc2)cc1 ZINC000408916730 1070997204 /nfs/dbraw/zinc/99/72/04/1070997204.db2.gz GPAJXROXJRKEOI-XPAMHXTNSA-N -1 0 552.568 6.285 40 30 KKEBRM O=C(Nc1ccccc1)c1c(/N=C\c2cc(Br)c([O-])c(I)c2)sc2c1CCCC2 ZINC000408916618 1070999168 /nfs/dbraw/zinc/99/91/68/1070999168.db2.gz YNZCUILGKVSXMN-ROTLSHHCSA-N -1 0 581.273 6.703 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000408916539 1071000930 /nfs/dbraw/zinc/00/09/30/1071000930.db2.gz DXQKCFXVBHGRKD-PDSYLDJCSA-N -1 0 518.591 5.362 40 30 KKEBRM O=C([O-])c1ccc(/N=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000408915834 1071004862 /nfs/dbraw/zinc/00/48/62/1071004862.db2.gz ZVWQEMFKDDKOLZ-RGXNXFOYSA-N -1 0 521.414 8.023 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](c2cccc(F)c2)O[C@@H]1c1cc(OC)ccc1OCC(=O)[O-] ZINC000585267668 1071006571 /nfs/dbraw/zinc/00/65/71/1071006571.db2.gz SKLJMXJMAGWXFR-YQHHHJOQSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)O[C@@H]1c1cccc(F)c1OCC(=O)[O-] ZINC000585266316 1071004200 /nfs/dbraw/zinc/00/42/00/1071004200.db2.gz MQJWXJKSBWMQCH-KSZYUSJVSA-N -1 0 510.989 7.130 40 30 KKEBRM CC[C@H](C)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914218 1071013675 /nfs/dbraw/zinc/01/36/75/1071013675.db2.gz TZYLUWQOPJYSNG-BTXPFYPZSA-N -1 0 533.444 5.632 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2cccc(F)c2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585268033 1071013761 /nfs/dbraw/zinc/01/37/61/1071013761.db2.gz UUAYXKWHNWCXRD-VZTBDOQQSA-N -1 0 510.989 7.130 40 30 KKEBRM CCCCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914110 1071014099 /nfs/dbraw/zinc/01/40/99/1071014099.db2.gz SXNNUMKCCCSILF-NVEQVSHNSA-N -1 0 524.278 6.630 40 30 KKEBRM CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408913041 1071020511 /nfs/dbraw/zinc/02/05/11/1071020511.db2.gz JZCUQWZUNPXFTL-UHFFFAOYSA-N -1 0 507.336 5.588 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408910788 1071066220 /nfs/dbraw/zinc/06/62/20/1071066220.db2.gz HXYSZPKFDVFNIK-HBAVDNSESA-N -1 0 510.251 6.240 40 30 KKEBRM C#CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408919446 1071120752 /nfs/dbraw/zinc/12/07/52/1071120752.db2.gz YBANOKICFXRJAX-LKCMCXFZSA-N -1 0 512.587 5.600 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)S/C2=N/c2ccccc2)cc1 ZINC000408918914 1071125405 /nfs/dbraw/zinc/12/54/05/1071125405.db2.gz QOOPVEZMMXQICB-QSZXSEHGSA-N -1 0 514.606 7.495 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408918717 1071131353 /nfs/dbraw/zinc/13/13/53/1071131353.db2.gz OEAVBEPMQSRKGU-HMWCHQNHSA-N -1 0 698.422 8.846 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408918393 1071135466 /nfs/dbraw/zinc/13/54/66/1071135466.db2.gz JXYYZSDOZNDJDI-MMMRZKAQSA-N -1 0 500.330 5.460 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408917957 1071141772 /nfs/dbraw/zinc/14/17/72/1071141772.db2.gz DDPPYZKIQGIKBS-GVMIDXADSA-N -1 0 643.559 7.929 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408917602 1071144503 /nfs/dbraw/zinc/14/45/03/1071144503.db2.gz YFVQNQYSLCOXPN-UCQKPKSFSA-N -1 0 520.557 5.112 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1I ZINC000408917512 1071147252 /nfs/dbraw/zinc/14/72/52/1071147252.db2.gz VZDINNPYRMCFQP-VCBZUZRTSA-N -1 0 686.265 5.756 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408931467 1071151113 /nfs/dbraw/zinc/15/11/13/1071151113.db2.gz MCJNQCQNFPCEMU-CVNFHIKOSA-N -1 0 673.485 6.418 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930795 1071157645 /nfs/dbraw/zinc/15/76/45/1071157645.db2.gz CDMSMTMCWPOQST-KCQODJLYSA-N -1 0 593.661 6.215 40 30 KKEBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1 ZINC000408931440 1071153184 /nfs/dbraw/zinc/15/31/84/1071153184.db2.gz LPTVOIKCMVWWII-JNGXCMENSA-N -1 0 515.591 5.253 40 30 KKEBRM C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408931217 1071153735 /nfs/dbraw/zinc/15/37/35/1071153735.db2.gz IOEKKRRNACJDOB-AJBULDERSA-N -1 0 500.595 5.678 40 30 KKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(C(=O)[O-])c4C)N(C)C3=O)c2C)cc1 ZINC000408930842 1071158240 /nfs/dbraw/zinc/15/82/40/1071158240.db2.gz CSHPYPYVKWDFMB-DRFYBTJMSA-N -1 0 517.607 5.511 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)S/C1=N/c1ccccc1 ZINC000408929633 1071168882 /nfs/dbraw/zinc/16/88/82/1071168882.db2.gz LWYQFMXJWAVTEY-UNTXSTRGSA-N -1 0 625.541 6.766 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408934008 1071198585 /nfs/dbraw/zinc/19/85/85/1071198585.db2.gz KSGDVBNLIJXKJL-GQHTZDRWSA-N -1 0 559.560 5.545 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408936272 1071212245 /nfs/dbraw/zinc/21/22/45/1071212245.db2.gz OZLSWRBIPPDCEK-GQHTZDRWSA-N -1 0 523.010 6.168 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408936138 1071214087 /nfs/dbraw/zinc/21/40/87/1071214087.db2.gz OLQAMZPOHWWYRI-WGQHKYHDSA-N -1 0 732.867 9.499 40 30 KKEBRM CC[C@H](C)n1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000408933367 1071241265 /nfs/dbraw/zinc/24/12/65/1071241265.db2.gz IWQFIPUSBBCCRB-VEUSJLJQSA-N -1 0 539.657 7.123 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708444 1071243294 /nfs/dbraw/zinc/24/32/94/1071243294.db2.gz YHWAXFQKEADHRW-JLPGSUDCSA-N -1 0 529.680 6.634 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708677 1071243950 /nfs/dbraw/zinc/24/39/50/1071243950.db2.gz IVTFVNHLSBPRFX-LIAPLOTISA-N -1 0 527.708 7.235 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932490 1071250768 /nfs/dbraw/zinc/25/07/68/1071250768.db2.gz CNIUOQRABAIYOQ-MCLXNYAESA-N -1 0 674.529 7.447 40 30 KKEBRM COC(=O)Cn1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000408932203 1071253662 /nfs/dbraw/zinc/25/36/62/1071253662.db2.gz UUBJUGOZNDGLFB-HJXWJRCXSA-N -1 0 555.612 5.325 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(OC)c(OCc4cccc(C)c4)cc3Br)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932039 1071254249 /nfs/dbraw/zinc/25/42/49/1071254249.db2.gz AZQCLUPRBNBZMM-VMIVZEELSA-N -1 0 673.585 7.856 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931909 1071255556 /nfs/dbraw/zinc/25/55/56/1071255556.db2.gz RYLRFAYSAKDZLK-IAPUUSCPSA-N -1 0 527.429 6.813 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408941421 1071307900 /nfs/dbraw/zinc/30/79/00/1071307900.db2.gz VTGDBHURXBPAFI-MVOPBTOLSA-N -1 0 625.659 6.693 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000408940463 1071317439 /nfs/dbraw/zinc/31/74/39/1071317439.db2.gz UQOHGBVOTQRHRW-PYDPJRFUSA-N -1 0 513.575 5.386 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408939730 1071322457 /nfs/dbraw/zinc/32/24/57/1071322457.db2.gz UDLKFGNYLOYDRB-GLACDVFLSA-N -1 0 607.688 6.524 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(I)c2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408937314 1071340979 /nfs/dbraw/zinc/34/09/79/1071340979.db2.gz QHZWVTQSRPAMEZ-OZOPNLFCSA-N -1 0 689.329 6.996 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408950921 1071353673 /nfs/dbraw/zinc/35/36/73/1071353673.db2.gz GUKLUSPHAVXSKA-LWSWPZBTSA-N -1 0 592.265 6.316 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1N=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1C ZINC000408950499 1071355598 /nfs/dbraw/zinc/35/55/98/1071355598.db2.gz FRWRMYKDBBQQJX-QDTXFXTASA-N -1 0 500.168 5.045 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408950464 1071355626 /nfs/dbraw/zinc/35/56/26/1071355626.db2.gz KJYCDRHHEBQHSG-YDZHTSKRSA-N -1 0 605.441 5.550 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408950388 1071357208 /nfs/dbraw/zinc/35/72/08/1071357208.db2.gz JPTARUMJHYZFLD-WYMPLXKRSA-N -1 0 636.486 5.446 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408695151 1071384968 /nfs/dbraw/zinc/38/49/68/1071384968.db2.gz QXBXHQGULHEPJO-HYARGMPZSA-N -1 0 586.426 5.012 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccc(N4CCCCC4)cc3)N(C)C2=O)o1 ZINC000408961834 1071405500 /nfs/dbraw/zinc/40/55/00/1071405500.db2.gz OJESHWGSWWZTDY-KSVGNYRWSA-N -1 0 501.608 6.177 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408966077 1071411729 /nfs/dbraw/zinc/41/17/29/1071411729.db2.gz MSETYWSSUXKHLR-OEAKJJBVSA-N -1 0 583.460 6.025 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408964317 1071418479 /nfs/dbraw/zinc/41/84/79/1071418479.db2.gz QSOVWIZPCZCBOC-CIAFOILYSA-N -1 0 577.873 7.214 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)N2Cc2ccco2)cc1 ZINC000408963199 1071424438 /nfs/dbraw/zinc/42/44/38/1071424438.db2.gz XVFHKHDEFZYBJF-FSGBDAEFSA-N -1 0 514.559 6.359 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408962900 1071425352 /nfs/dbraw/zinc/42/53/52/1071425352.db2.gz VUMAVYFVOWKXGZ-KCPFCXPRSA-N -1 0 610.692 5.011 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000408961539 1071429075 /nfs/dbraw/zinc/42/90/75/1071429075.db2.gz MXQHEYPQECPMCG-LPYMAVHISA-N -1 0 523.408 5.926 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2Cc2ccco2)cc1 ZINC000408960089 1071433670 /nfs/dbraw/zinc/43/36/70/1071433670.db2.gz JHQPAIIROIQMEK-UHJIOYGOSA-N -1 0 540.597 6.370 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408959961 1071435114 /nfs/dbraw/zinc/43/51/14/1071435114.db2.gz BCDBGQZHLNBRNZ-LPYMAVHISA-N -1 0 618.424 5.998 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408959673 1071435914 /nfs/dbraw/zinc/43/59/14/1071435914.db2.gz CXFZCTRVXXPZQA-BOJSJVFISA-N -1 0 527.646 6.188 40 30 KKEBRM CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1C ZINC000408959747 1071436010 /nfs/dbraw/zinc/43/60/10/1071436010.db2.gz FCDCOFAPIXWHNW-RTSKBFCNSA-N -1 0 549.696 7.467 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408983409 1071519096 /nfs/dbraw/zinc/51/90/96/1071519096.db2.gz LZNODTABINKKBK-AUWJEWJLSA-N -1 0 510.171 5.296 40 30 KKEBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408982388 1071527937 /nfs/dbraw/zinc/52/79/37/1071527937.db2.gz GSTGCIJDXQZVBZ-UKWGHVSLSA-N -1 0 627.822 5.379 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc(Br)c([O-])c(OC)c3)c(C#N)c2-c2cccc(OC)c2)cc1 ZINC000408722289 1071534503 /nfs/dbraw/zinc/53/45/03/1071534503.db2.gz GPQBYKIDXCSILQ-FJEPWZHXSA-N -1 0 533.378 6.730 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408994320 1071559413 /nfs/dbraw/zinc/55/94/13/1071559413.db2.gz YLRUVJJNWPOAPE-QRQIAZFYSA-N -1 0 581.068 7.174 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1 ZINC000408994050 1071561651 /nfs/dbraw/zinc/56/16/51/1071561651.db2.gz YDWNTRKDIDAMSE-UCQKPKSFSA-N -1 0 530.378 5.129 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408991883 1071578016 /nfs/dbraw/zinc/57/80/16/1071578016.db2.gz RJPHPQJTJQOGGG-ONUIUJJFSA-N -1 0 555.587 5.530 40 30 KKEBRM C[C@H](c1cc(Br)c([O-])c(Br)c1)C1=C(c2c(N)ccc3ccccc32)CC(C)(C)CC1=O ZINC000408731068 1071583941 /nfs/dbraw/zinc/58/39/41/1071583941.db2.gz ISWDPRZTZYULQE-CQSZACIVSA-N -1 0 543.299 7.599 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)o3)S2)ccc1Cl ZINC000408988586 1071603615 /nfs/dbraw/zinc/60/36/15/1071603615.db2.gz DXNIMWGDBJMQHL-UNOMPAQXSA-N -1 0 507.980 6.222 40 30 KKEBRM CCOc1ccc2nc(Sc3ccc(/C=C4/SC(=Nc5cccc(C(=O)[O-])c5)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988852 1071600488 /nfs/dbraw/zinc/60/04/88/1071600488.db2.gz GDLPFFGHVDKIBM-JJFYIABZSA-N -1 0 578.653 6.344 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408988652 1071604233 /nfs/dbraw/zinc/60/42/33/1071604233.db2.gz FFOFWFTYVLHHFU-WGARJPEWSA-N -1 0 688.168 7.851 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408988395 1071604239 /nfs/dbraw/zinc/60/42/39/1071604239.db2.gz HVKXBPXSTVITTO-JLPGSUDCSA-N -1 0 531.008 5.885 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C1=O ZINC000408996318 1071618469 /nfs/dbraw/zinc/61/84/69/1071618469.db2.gz HMRLXFCLLJXLSW-MYYYXRDXSA-N -1 0 624.509 6.669 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408742768 1071620110 /nfs/dbraw/zinc/62/01/10/1071620110.db2.gz SREGJWLQRLPIIP-LFVJCYFKSA-N -1 0 591.527 6.295 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408755634 1071644394 /nfs/dbraw/zinc/64/43/94/1071644394.db2.gz RHWYOHRVXIIFFE-RGVLZGJSSA-N -1 0 679.192 7.801 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408754098 1071653323 /nfs/dbraw/zinc/65/33/23/1071653323.db2.gz DJOXOJJVBIQSCQ-GXQADQIFSA-N -1 0 536.609 6.781 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408997750 1071662110 /nfs/dbraw/zinc/66/21/10/1071662110.db2.gz SPXCVQBZZIRNST-MTJSOVHGSA-N -1 0 712.303 6.073 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408751671 1071669583 /nfs/dbraw/zinc/66/95/83/1071669583.db2.gz BIFMGWKRUGDDHM-HZHRSRAPSA-N -1 0 593.449 6.269 40 30 KKEBRM O=C1NC(=Nc2ccccc2I)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408750216 1071678823 /nfs/dbraw/zinc/67/88/23/1071678823.db2.gz YCERZQSQZOIIAH-NTUHNPAUSA-N -1 0 580.039 5.413 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc1Br ZINC000408748302 1071693631 /nfs/dbraw/zinc/69/36/31/1071693631.db2.gz BNTFWILGQXHFCM-VGOFMYFVSA-N -1 0 638.075 5.171 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408757524 1071712487 /nfs/dbraw/zinc/71/24/87/1071712487.db2.gz ZDVSLZGBJODSBD-WSDLNYQXSA-N -1 0 605.441 5.469 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408767056 1071715928 /nfs/dbraw/zinc/71/59/28/1071715928.db2.gz VDMCQSBBLZAOEN-BUVRLJJBSA-N -1 0 504.564 5.263 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br ZINC000408763249 1071733561 /nfs/dbraw/zinc/73/35/61/1071733561.db2.gz MJKLCOIZQNYWAJ-RIYZIHGNSA-N -1 0 554.622 5.405 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408777176 1071745703 /nfs/dbraw/zinc/74/57/03/1071745703.db2.gz WJZWFNQYPIUXSO-BUVRLJJBSA-N -1 0 561.432 5.740 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408776449 1071749428 /nfs/dbraw/zinc/74/94/28/1071749428.db2.gz OVPMGFNSOQCNEF-WSDLNYQXSA-N -1 0 607.404 5.115 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409280969 1071757089 /nfs/dbraw/zinc/75/70/89/1071757089.db2.gz LCSIUGYIOASOJT-HNNXBMFYSA-N -1 0 547.951 5.214 40 30 KKEBRM O=C([O-])COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409280763 1071763168 /nfs/dbraw/zinc/76/31/68/1071763168.db2.gz JURSNVJBNVLCQL-UHFFFAOYSA-N -1 0 552.768 5.571 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409280387 1071767327 /nfs/dbraw/zinc/76/73/27/1071767327.db2.gz BFMUTPYFBJTPSV-QGZVFWFLSA-N -1 0 551.521 5.554 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1 ZINC000409280157 1071773150 /nfs/dbraw/zinc/77/31/50/1071773150.db2.gz KJTRWIQFAUPNRR-UHFFFAOYSA-N -1 0 594.421 6.732 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c3)cc21 ZINC000409280352 1071771476 /nfs/dbraw/zinc/77/14/76/1071771476.db2.gz LDHFYBLXILWSIP-AWEZNQCLSA-N -1 0 562.922 5.114 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([O-])c([N+](=O)[O-])c1 ZINC000409033153 1071772148 /nfs/dbraw/zinc/77/21/48/1071772148.db2.gz DZXQBSXPLVTAMI-UHFFFAOYSA-N -1 0 500.595 6.186 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408772688 1071772394 /nfs/dbraw/zinc/77/23/94/1071772394.db2.gz FDJLSAXHQQTRMO-FQWZWQHVSA-N -1 0 500.620 5.854 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3Br)cc21 ZINC000409280481 1071768428 /nfs/dbraw/zinc/76/84/28/1071768428.db2.gz KIKICDCEQGIDSY-UHFFFAOYSA-N -1 0 733.369 7.511 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409032409 1071780070 /nfs/dbraw/zinc/78/00/70/1071780070.db2.gz IXNRKFZFQSRQFT-UHFFFAOYSA-N -1 0 595.372 6.639 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3\S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000408771071 1071783234 /nfs/dbraw/zinc/78/32/34/1071783234.db2.gz CSDDLJCQLMVEET-PCYGFIDKSA-N -1 0 534.637 6.637 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279461 1071786523 /nfs/dbraw/zinc/78/65/23/1071786523.db2.gz HOLGOGYMSMRVFS-UHFFFAOYSA-N -1 0 605.670 6.043 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2[N+](=O)[O-])c1 ZINC000409279229 1071787748 /nfs/dbraw/zinc/78/77/48/1071787748.db2.gz GTQFWMQUCWJPPP-UHFFFAOYSA-N -1 0 560.522 5.877 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409279359 1071789786 /nfs/dbraw/zinc/78/97/86/1071789786.db2.gz IKLLBIIBXOTNRE-LJQANCHMSA-N -1 0 548.039 6.282 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(O[C@@H](C)C(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409278937 1071792196 /nfs/dbraw/zinc/79/21/96/1071792196.db2.gz FXJSNYXJFZHAGH-VWLOTQADSA-N -1 0 606.723 7.036 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c3)cc21 ZINC000409278832 1071795406 /nfs/dbraw/zinc/79/54/06/1071795406.db2.gz FOLBGXMGGHDZLS-AWEZNQCLSA-N -1 0 596.821 5.968 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409278890 1071796607 /nfs/dbraw/zinc/79/66/07/1071796607.db2.gz FTSCYQBOKNWFQO-UHFFFAOYSA-N -1 0 642.934 6.664 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409278625 1071801728 /nfs/dbraw/zinc/80/17/28/1071801728.db2.gz GKSYRIBONMZCEX-OAHLLOKOSA-N -1 0 559.928 5.869 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409278258 1071805418 /nfs/dbraw/zinc/80/54/18/1071805418.db2.gz FFLRTDSDTFALMJ-CYBMUJFWSA-N -1 0 581.261 5.178 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409278466 1071804319 /nfs/dbraw/zinc/80/43/19/1071804319.db2.gz DFSJDVXLTZOGRH-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM C[C@@H](Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409278150 1071808725 /nfs/dbraw/zinc/80/87/25/1071808725.db2.gz CYTFBKZOGFVPRJ-OAHLLOKOSA-N -1 0 532.350 5.306 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277943 1071810559 /nfs/dbraw/zinc/81/05/59/1071810559.db2.gz CADGMUWDFJKQBE-UHFFFAOYSA-N -1 0 616.222 5.298 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])c1 ZINC000409277990 1071811714 /nfs/dbraw/zinc/81/17/14/1071811714.db2.gz CEJZDKSNHBTVKE-UHFFFAOYSA-N -1 0 667.394 6.912 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277748 1071817298 /nfs/dbraw/zinc/81/72/98/1071817298.db2.gz BWJUINDDPRGRHI-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409277332 1071820667 /nfs/dbraw/zinc/82/06/67/1071820667.db2.gz BPJOFEVXUUHAOF-UHFFFAOYSA-N -1 0 595.406 5.359 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408780970 1071821224 /nfs/dbraw/zinc/82/12/24/1071821224.db2.gz OWPHGBWCSNYVEB-WPWMEQJKSA-N -1 0 581.466 6.885 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409277398 1071821771 /nfs/dbraw/zinc/82/17/71/1071821771.db2.gz ATKVFRAHSJVHSE-UHFFFAOYSA-N -1 0 598.881 6.265 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409277442 1071822343 /nfs/dbraw/zinc/82/23/43/1071822343.db2.gz BWFWTOWQZPTOIW-UHFFFAOYSA-N -1 0 516.554 5.399 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408780571 1071823652 /nfs/dbraw/zinc/82/36/52/1071823652.db2.gz FDWPZXTUAAAZDS-UUYOSTAYSA-N -1 0 604.853 6.422 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br)C(=O)[O-] ZINC000409293669 1071828689 /nfs/dbraw/zinc/82/86/89/1071828689.db2.gz JCCCNYAQTULMJN-CQSZACIVSA-N -1 0 566.795 5.960 40 30 KKEBRM Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)c1 ZINC000408780607 1071824253 /nfs/dbraw/zinc/82/42/53/1071824253.db2.gz GEMMPMSYRCVEMM-XKZIYDEJSA-N -1 0 570.408 5.768 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409046739 1071830238 /nfs/dbraw/zinc/83/02/38/1071830238.db2.gz LTYWNWAQSKBRRH-VGOFMYFVSA-N -1 0 540.595 5.096 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409293434 1071835615 /nfs/dbraw/zinc/83/56/15/1071835615.db2.gz YKQJLLKBVGVIBG-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C2=C1CCCC2=O ZINC000409045402 1071840627 /nfs/dbraw/zinc/84/06/27/1071840627.db2.gz GOSWLVRUEVSUJZ-UHFFFAOYSA-N -1 0 544.406 6.210 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408778180 1071838322 /nfs/dbraw/zinc/83/83/22/1071838322.db2.gz QEWDKSUTFSZJRN-OEAKJJBVSA-N -1 0 520.944 5.462 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408778263 1071838820 /nfs/dbraw/zinc/83/88/20/1071838820.db2.gz COYQPTQZOADIHW-KEBDBYFISA-N -1 0 566.795 5.228 40 30 KKEBRM C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409044910 1071844093 /nfs/dbraw/zinc/84/40/93/1071844093.db2.gz FFGRWQPPUBEJFI-HYARGMPZSA-N -1 0 523.372 5.804 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409292808 1071846166 /nfs/dbraw/zinc/84/61/66/1071846166.db2.gz VTCAXWKZNLWKPH-UHFFFAOYSA-N -1 0 678.175 6.967 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C2=C1CCCC2=O ZINC000409044480 1071848158 /nfs/dbraw/zinc/84/81/58/1071848158.db2.gz VGXFHKHDTLUKKN-UHFFFAOYSA-N -1 0 595.306 7.377 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409292225 1071856508 /nfs/dbraw/zinc/85/65/08/1071856508.db2.gz SOFJNRQJXPMZFR-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)cc2I)cc1 ZINC000408785047 1071859212 /nfs/dbraw/zinc/85/92/12/1071859212.db2.gz FNOSDMCVJYTJMG-HXGGSSIYSA-N -1 0 646.506 7.373 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1 ZINC000409043026 1071863252 /nfs/dbraw/zinc/86/32/52/1071863252.db2.gz PEJODIDIXJYEOE-UHFFFAOYSA-N -1 0 646.589 6.840 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409291999 1071863858 /nfs/dbraw/zinc/86/38/58/1071863858.db2.gz FBOFIZALMFSYSB-CQSZACIVSA-N -1 0 638.824 6.631 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)o2)ccc1Cl ZINC000408783537 1071870410 /nfs/dbraw/zinc/87/04/10/1071870410.db2.gz ODXFMLUXGMZAAR-ACXHZZMFSA-N -1 0 519.022 6.919 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409291359 1071875084 /nfs/dbraw/zinc/87/50/84/1071875084.db2.gz PNYNYTHQXOXXCS-IBGZPJMESA-N -1 0 558.591 5.536 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409291364 1071875784 /nfs/dbraw/zinc/87/57/84/1071875784.db2.gz PNYNYTHQXOXXCS-LJQANCHMSA-N -1 0 558.591 5.536 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408797232 1071876948 /nfs/dbraw/zinc/87/69/48/1071876948.db2.gz QNDVJPCSFZJABP-SILRWXEESA-N -1 0 588.398 5.941 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409291544 1071873324 /nfs/dbraw/zinc/87/33/24/1071873324.db2.gz CZTVYSQYZRTHDM-CQSZACIVSA-N -1 0 532.896 5.105 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409291570 1071873922 /nfs/dbraw/zinc/87/39/22/1071873922.db2.gz XYWKCPBTYKWPDM-UHFFFAOYSA-N -1 0 626.109 7.325 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796989 1071877426 /nfs/dbraw/zinc/87/74/26/1071877426.db2.gz QBQROJLJMRRGMG-DIENZIEHSA-N -1 0 667.294 6.704 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408796496 1071879103 /nfs/dbraw/zinc/87/91/03/1071879103.db2.gz PDWLFYIDTNAEPD-XMMPIXPASA-N -1 0 607.400 5.310 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)o1 ZINC000409291322 1071880427 /nfs/dbraw/zinc/88/04/27/1071880427.db2.gz AVRSTRWCCZAGDN-UHFFFAOYSA-N -1 0 568.383 6.721 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408794775 1071885337 /nfs/dbraw/zinc/88/53/37/1071885337.db2.gz SWQDMCBMBLCQPI-ADQWEYKISA-N -1 0 557.413 5.631 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000409290483 1071892665 /nfs/dbraw/zinc/89/26/65/1071892665.db2.gz LYEWKYQMBPZJDV-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408792337 1071888194 /nfs/dbraw/zinc/88/81/94/1071888194.db2.gz AMZKAOHGTJWUPA-CTMKFROTSA-N -1 0 648.906 6.854 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408790511 1071893289 /nfs/dbraw/zinc/89/32/89/1071893289.db2.gz WSOQECATRGWERT-GXMXPRDMSA-N -1 0 634.879 6.464 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408790495 1071893360 /nfs/dbraw/zinc/89/33/60/1071893360.db2.gz WNWOVMUNUQHFQE-CTMKFROTSA-N -1 0 557.455 6.903 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408790058 1071894459 /nfs/dbraw/zinc/89/44/59/1071894459.db2.gz MVQRUGNCLGUERB-VRAFJUTDSA-N -1 0 592.298 7.267 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br)C(=O)[O-] ZINC000409290052 1071900945 /nfs/dbraw/zinc/90/09/45/1071900945.db2.gz QQZXFTKFINNHII-ZDUSSCGKSA-N -1 0 645.691 6.722 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409057143 1071912230 /nfs/dbraw/zinc/91/22/30/1071912230.db2.gz ULWXYTBRDHNFSI-JQRJDVQMSA-N -1 0 561.874 7.548 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409289285 1071917634 /nfs/dbraw/zinc/91/76/34/1071917634.db2.gz LTZDOKMCOVRNBD-HNNXBMFYSA-N -1 0 562.376 5.315 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409288884 1071921333 /nfs/dbraw/zinc/92/13/33/1071921333.db2.gz CMEVKISBSFVHGC-UHFFFAOYSA-N -1 0 612.908 6.656 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409288981 1071923004 /nfs/dbraw/zinc/92/30/04/1071923004.db2.gz DGHQMUAXMXMPAF-UHFFFAOYSA-N -1 0 582.794 5.580 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409055181 1071929467 /nfs/dbraw/zinc/92/94/67/1071929467.db2.gz DFIGOBIWBRIZTQ-YHSWEDCKSA-N -1 0 527.429 6.895 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1C(C)C ZINC000409288533 1071929580 /nfs/dbraw/zinc/92/95/80/1071929580.db2.gz HOKYZEFNCZAMEC-UHFFFAOYSA-N -1 0 635.717 7.071 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409288182 1071933112 /nfs/dbraw/zinc/93/31/12/1071933112.db2.gz DOLWIRATBWNCON-UHFFFAOYSA-N -1 0 620.662 6.962 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409287668 1071943835 /nfs/dbraw/zinc/94/38/35/1071943835.db2.gz XVOUJGUHQFZDAB-SFHVURJKSA-N -1 0 565.548 5.944 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409287417 1071944230 /nfs/dbraw/zinc/94/42/30/1071944230.db2.gz VCNRDXFZCHIVTP-UHFFFAOYSA-N -1 0 579.407 5.524 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC000409287518 1071946375 /nfs/dbraw/zinc/94/63/75/1071946375.db2.gz WBRISTNGIPRVLA-UHFFFAOYSA-N -1 0 599.485 6.288 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409297293 1071949862 /nfs/dbraw/zinc/94/98/62/1071949862.db2.gz KEPHNYRGLHQFNT-HNNXBMFYSA-N -1 0 621.400 5.613 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409296758 1071955765 /nfs/dbraw/zinc/95/57/65/1071955765.db2.gz RIBYUKFQUJMZKM-KRWDZBQOSA-N -1 0 623.460 5.909 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409296135 1071968984 /nfs/dbraw/zinc/96/89/84/1071968984.db2.gz HHIAOBCTGUDXEP-UHFFFAOYSA-N -1 0 594.023 7.021 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)cc21 ZINC000409295866 1071969545 /nfs/dbraw/zinc/96/95/45/1071969545.db2.gz RTAPNOFMCUFLEN-UHFFFAOYSA-N -1 0 721.245 5.373 40 30 KKEBRM C#CCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409048665 1071970395 /nfs/dbraw/zinc/97/03/95/1071970395.db2.gz UFWSIZBIUJJYBS-UHFFFAOYSA-N -1 0 530.448 5.776 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409295624 1071975600 /nfs/dbraw/zinc/97/56/00/1071975600.db2.gz RCFBEHYLIRAFDI-UHFFFAOYSA-N -1 0 521.415 5.579 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409294930 1071988386 /nfs/dbraw/zinc/98/83/86/1071988386.db2.gz PSUGONCWFGOARB-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409294783 1071990349 /nfs/dbraw/zinc/99/03/49/1071990349.db2.gz PGIDUEDXKQOHDD-FQEVSTJZSA-N -1 0 542.636 5.304 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409294799 1071990884 /nfs/dbraw/zinc/99/08/84/1071990884.db2.gz BZFFKVJPEVNXCE-MRXNPFEDSA-N -1 0 653.429 5.556 40 30 KKEBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409057517 1071993186 /nfs/dbraw/zinc/99/31/86/1071993186.db2.gz PNOYNXXVZYLTFY-UHFFFAOYSA-N -1 0 596.551 7.651 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409066351 1071994286 /nfs/dbraw/zinc/99/42/86/1071994286.db2.gz OHERMZDVOFCAQB-UHFFFAOYSA-N -1 0 610.899 5.913 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065137 1071996528 /nfs/dbraw/zinc/99/65/28/1071996528.db2.gz GNRAYVMZBXWTFA-UHFFFAOYSA-N -1 0 608.529 6.708 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409066550 1072002258 /nfs/dbraw/zinc/00/22/58/1072002258.db2.gz LOGVPXFEOAWXKU-UHFFFAOYSA-N -1 0 677.013 6.640 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000409066615 1072002491 /nfs/dbraw/zinc/00/24/91/1072002491.db2.gz PCYFYMWFXNDAGE-UHFFFAOYSA-N -1 0 606.159 7.478 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409066562 1072002596 /nfs/dbraw/zinc/00/25/96/1072002596.db2.gz BASJNPWPMNWEBX-RCCKNPSSSA-N -1 0 502.954 5.323 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000409294331 1071998243 /nfs/dbraw/zinc/99/82/43/1071998243.db2.gz ADXUCAVEYIFMEN-UHFFFAOYSA-N -1 0 505.284 5.068 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409067211 1071998691 /nfs/dbraw/zinc/99/86/91/1071998691.db2.gz BXXUNQLVZZLJOZ-UHFFFAOYSA-N -1 0 590.481 5.649 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067075 1071999842 /nfs/dbraw/zinc/99/98/42/1071999842.db2.gz OZXLTHZVNDNZRE-UHFFFAOYSA-N -1 0 569.481 7.671 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C2=C1CC(C)(C)CC2=O ZINC000409065531 1072008732 /nfs/dbraw/zinc/00/87/32/1072008732.db2.gz JDQZMTKZTJFDGI-UHFFFAOYSA-N -1 0 620.186 8.112 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409066114 1072004742 /nfs/dbraw/zinc/00/47/42/1072004742.db2.gz LSDUTYRVITWSHH-YDZHTSKRSA-N -1 0 567.425 6.072 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409306810 1072005948 /nfs/dbraw/zinc/00/59/48/1072005948.db2.gz QCTQNGJIJDNGSK-UHFFFAOYSA-N -1 0 565.670 6.731 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1 ZINC000409065835 1072006539 /nfs/dbraw/zinc/00/65/39/1072006539.db2.gz NTANSJCJEPZLQZ-UHFFFAOYSA-N -1 0 627.475 5.767 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409064678 1072013726 /nfs/dbraw/zinc/01/37/26/1072013726.db2.gz DMAIUIYKRQGOKI-UHFFFAOYSA-N -1 0 622.158 6.958 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409064490 1072014697 /nfs/dbraw/zinc/01/46/97/1072014697.db2.gz HHKVPKKBKOOYRB-UHFFFAOYSA-N -1 0 560.485 5.627 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409306301 1072014724 /nfs/dbraw/zinc/01/47/24/1072014724.db2.gz PMTCSOBACKUOMZ-AWEZNQCLSA-N -1 0 688.272 5.920 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064350 1072015456 /nfs/dbraw/zinc/01/54/56/1072015456.db2.gz CPLXZXSOEQICAB-UHFFFAOYSA-N -1 0 580.475 6.168 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409064334 1072015469 /nfs/dbraw/zinc/01/54/69/1072015469.db2.gz CPBPQUVLJRLMNI-UHFFFAOYSA-N -1 0 651.554 7.097 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409065197 1072010584 /nfs/dbraw/zinc/01/05/84/1072010584.db2.gz GWWBLFCUXKCQQC-UHFFFAOYSA-N -1 0 671.426 7.804 40 30 KKEBRM C[C@H](Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1)C(=O)[O-] ZINC000409306550 1072010822 /nfs/dbraw/zinc/01/08/22/1072010822.db2.gz PZMPLPNXUHEQQD-HNNXBMFYSA-N -1 0 532.350 5.306 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000409065004 1072011996 /nfs/dbraw/zinc/01/19/96/1072011996.db2.gz KAPSDLBAKNRMSE-UHFFFAOYSA-N -1 0 591.726 5.923 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409064785 1072012282 /nfs/dbraw/zinc/01/22/82/1072012282.db2.gz FNGWRMKKSHXEEZ-UHFFFAOYSA-N -1 0 610.578 8.366 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccccc1F ZINC000409064740 1072012295 /nfs/dbraw/zinc/01/22/95/1072012295.db2.gz FACCQTJWUBNCRL-UHFFFAOYSA-N -1 0 629.769 7.692 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1cccc(F)c1 ZINC000409064270 1072016938 /nfs/dbraw/zinc/01/69/38/1072016938.db2.gz CXHWDJAHSXJZFK-UHFFFAOYSA-N -1 0 601.715 6.912 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2Br)cc1 ZINC000409064069 1072017584 /nfs/dbraw/zinc/01/75/84/1072017584.db2.gz BKVPWEGUFVTUQM-UHFFFAOYSA-N -1 0 614.514 5.413 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064077 1072017653 /nfs/dbraw/zinc/01/76/53/1072017653.db2.gz BMDQWGMHJBWYBH-UHFFFAOYSA-N -1 0 725.985 5.999 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccccc1F ZINC000409064046 1072017696 /nfs/dbraw/zinc/01/76/96/1072017696.db2.gz BIGHZBZLUKDWCI-UHFFFAOYSA-N -1 0 533.596 5.692 40 30 KKEBRM CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409064133 1072017996 /nfs/dbraw/zinc/01/79/96/1072017996.db2.gz GMIXRATZEVDVCR-UHFFFAOYSA-N -1 0 567.274 5.498 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409305960 1072018198 /nfs/dbraw/zinc/01/81/98/1072018198.db2.gz OPZDMBXPLCEWCU-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C2=C1CC(C)(C)CC2=O ZINC000409063974 1072018882 /nfs/dbraw/zinc/01/88/82/1072018882.db2.gz AUIHDSJKIHTLHU-UHFFFAOYSA-N -1 0 557.687 6.296 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409063343 1072021260 /nfs/dbraw/zinc/02/12/60/1072021260.db2.gz ACOLZQUOTNRSAE-BUVRLJJBSA-N -1 0 581.046 5.128 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409063384 1072021740 /nfs/dbraw/zinc/02/17/40/1072021740.db2.gz BAPCZJFYSQUGBR-UHFFFAOYSA-N -1 0 624.149 7.617 40 30 KKEBRM C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409063411 1072022032 /nfs/dbraw/zinc/02/20/32/1072022032.db2.gz BHVJINKLHPTSED-XDHOZWIPSA-N -1 0 518.385 5.347 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409062191 1072025592 /nfs/dbraw/zinc/02/55/92/1072025592.db2.gz PKIMGEKQVRODAO-REEBFXBWSA-N -1 0 563.075 6.978 40 30 KKEBRM CCCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1Br ZINC000409060973 1072031336 /nfs/dbraw/zinc/03/13/36/1072031336.db2.gz ATMNZOZIXOQJOJ-UHCYRAGWSA-N -1 0 503.418 5.950 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409060578 1072033892 /nfs/dbraw/zinc/03/38/92/1072033892.db2.gz UXEFQEQZHHMXBD-GZFRWTSMSA-N -1 0 503.536 5.496 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCC(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409304369 1072039183 /nfs/dbraw/zinc/03/91/83/1072039183.db2.gz JWHXEXBIYGHMKD-UHFFFAOYSA-N -1 0 701.412 7.163 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1 ZINC000409304453 1072040064 /nfs/dbraw/zinc/04/00/64/1072040064.db2.gz QUYFNMLTQGKFMA-UHFFFAOYSA-N -1 0 565.585 7.122 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409074439 1072040414 /nfs/dbraw/zinc/04/04/14/1072040414.db2.gz ZMIXLFNGQUHXMX-AJBULDERSA-N -1 0 588.660 6.557 40 30 KKEBRM C[C@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000409304325 1072042417 /nfs/dbraw/zinc/04/24/17/1072042417.db2.gz JQOLIBSHNVWLGE-MRXNPFEDSA-N -1 0 504.468 5.565 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409303878 1072048720 /nfs/dbraw/zinc/04/87/20/1072048720.db2.gz IHPJBZRLEGPPGJ-UHFFFAOYSA-N -1 0 649.723 6.441 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409303765 1072046728 /nfs/dbraw/zinc/04/67/28/1072046728.db2.gz JSNSMSHNMBOONM-UHFFFAOYSA-N -1 0 518.617 6.336 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076692 1072049442 /nfs/dbraw/zinc/04/94/42/1072049442.db2.gz BWDIONVIQXFGMN-UHFFFAOYSA-N -1 0 670.681 7.965 40 30 KKEBRM 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5.607 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c2C(=O)Nc2ccccc2)C1 ZINC000409076250 1072054210 /nfs/dbraw/zinc/05/42/10/1072054210.db2.gz AAVNBMRXZQOMCD-OWKXQNKPSA-N -1 0 526.658 7.860 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409075564 1072058658 /nfs/dbraw/zinc/05/86/58/1072058658.db2.gz WYQONFAXTDSSEV-UHFFFAOYSA-N -1 0 557.687 6.678 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409302931 1072060259 /nfs/dbraw/zinc/06/02/59/1072060259.db2.gz HIIORBMYYKDEEW-UHFFFAOYSA-N -1 0 534.410 5.616 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OCC(=O)[O-] ZINC000409302992 1072060682 /nfs/dbraw/zinc/06/06/82/1072060682.db2.gz FQMQRCBIGQKFLZ-UHFFFAOYSA-N -1 0 537.494 5.165 40 30 KKEBRM C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409075008 1072063979 /nfs/dbraw/zinc/06/39/79/1072063979.db2.gz 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/nfs/dbraw/zinc/06/68/57/1072066857.db2.gz CUFIUQDHOFMKDM-CQSZACIVSA-N -1 0 590.352 5.588 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074273 1072068223 /nfs/dbraw/zinc/06/82/23/1072068223.db2.gz PQHRBTHHSKAPBS-UHFFFAOYSA-N -1 0 598.117 5.878 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409073302 1072076694 /nfs/dbraw/zinc/07/66/94/1072076694.db2.gz GULHHFMVFXIWBP-UHFFFAOYSA-N -1 0 606.557 7.432 40 30 KKEBRM COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409074059 1072071299 /nfs/dbraw/zinc/07/12/99/1072071299.db2.gz JWTPCZLOQRHUDL-UHFFFAOYSA-N -1 0 530.459 5.618 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccc(Br)cc2)C2=C1CCCC2=O ZINC000409073366 1072075172 /nfs/dbraw/zinc/07/51/72/1072075172.db2.gz HEKIASNJNQIOJM-UHFFFAOYSA-N -1 0 629.345 6.679 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409301830 1072075380 /nfs/dbraw/zinc/07/53/80/1072075380.db2.gz BICQAXZSCLTJQR-UHFFFAOYSA-N -1 0 660.306 6.221 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073490 1072076174 /nfs/dbraw/zinc/07/61/74/1072076174.db2.gz ZJBBRNCVVBQDMG-UHFFFAOYSA-N -1 0 668.628 8.612 40 30 KKEBRM C#CCOc1c(CC=C)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409073480 1072076252 /nfs/dbraw/zinc/07/62/52/1072076252.db2.gz NMTKARHEIRANPG-UHFFFAOYSA-N -1 0 545.676 5.596 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000409072209 1072083996 /nfs/dbraw/zinc/08/39/96/1072083996.db2.gz JFNOTIMLSIABRC-UHFFFAOYSA-N -1 0 574.888 7.114 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409073163 1072078100 /nfs/dbraw/zinc/07/81/00/1072078100.db2.gz XVLBZQKZXWIZEI-KOEQRZSOSA-N -1 0 544.579 5.597 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409072619 1072082640 /nfs/dbraw/zinc/08/26/40/1072082640.db2.gz UCOQKKWJGQHCHK-UHFFFAOYSA-N -1 0 630.513 5.114 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409301257 1072083348 /nfs/dbraw/zinc/08/33/48/1072083348.db2.gz DLQQJGDAPHMNHO-INIZCTEOSA-N -1 0 542.430 5.340 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C)cc1 ZINC000409072440 1072083463 /nfs/dbraw/zinc/08/34/63/1072083463.db2.gz CDOSZEMMOHUIHB-UHFFFAOYSA-N -1 0 711.637 7.738 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)[O-] ZINC000409072446 1072083600 /nfs/dbraw/zinc/08/36/00/1072083600.db2.gz VMIMZHRWHYGLJO-UHFFFAOYSA-N -1 0 651.538 5.485 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409071900 1072085307 /nfs/dbraw/zinc/08/53/07/1072085307.db2.gz SQWQSSRPDDDTBA-UHFFFAOYSA-N -1 0 515.606 5.796 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1 ZINC000409300844 1072085352 /nfs/dbraw/zinc/08/53/52/1072085352.db2.gz AOFMTORONHSLAR-UHFFFAOYSA-N -1 0 560.522 5.877 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071926 1072085639 /nfs/dbraw/zinc/08/56/39/1072085639.db2.gz SVRBOBVVMSEOCX-UHFFFAOYSA-N -1 0 682.257 8.944 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071280 1072090759 /nfs/dbraw/zinc/09/07/59/1072090759.db2.gz JCXBCCIJWDMSCW-UHFFFAOYSA-N -1 0 677.013 6.640 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F ZINC000409072026 1072086310 /nfs/dbraw/zinc/08/63/10/1072086310.db2.gz UGMHAFZSYGRKFY-UHFFFAOYSA-N -1 0 554.014 5.955 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)[O-] ZINC000409071863 1072086964 /nfs/dbraw/zinc/08/69/64/1072086964.db2.gz QFIJNXJMZCPTPD-UHFFFAOYSA-N -1 0 621.512 5.859 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2cccc(Cl)c2)c1 ZINC000409071823 1072087137 /nfs/dbraw/zinc/08/71/37/1072087137.db2.gz SIMMVESRFMPHDQ-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc2ccccc21 ZINC000409071475 1072088253 /nfs/dbraw/zinc/08/82/53/1072088253.db2.gz OVFBFGSONRCYAF-UHFFFAOYSA-N -1 0 644.562 7.468 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409071560 1072088720 /nfs/dbraw/zinc/08/87/20/1072088720.db2.gz HGMNNQWCNVKZTP-LFVJCYFKSA-N -1 0 530.552 5.207 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409071428 1072089827 /nfs/dbraw/zinc/08/98/27/1072089827.db2.gz OGQIGIFIQOMFAH-HYARGMPZSA-N -1 0 551.426 6.284 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409300440 1072090587 /nfs/dbraw/zinc/09/05/87/1072090587.db2.gz YZUDCIDTDYLWBM-SFHVURJKSA-N -1 0 564.038 5.900 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1 ZINC000409070096 1072098276 /nfs/dbraw/zinc/09/82/76/1072098276.db2.gz MZPFAWMVWGLFLZ-UHFFFAOYSA-N -1 0 589.704 6.964 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(F)cc1 ZINC000409070076 1072098336 /nfs/dbraw/zinc/09/83/36/1072098336.db2.gz MWVYSUZTDRIKIC-UHFFFAOYSA-N -1 0 601.715 6.912 40 30 KKEBRM C=CCOc1c(CC=C)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409070970 1072092356 /nfs/dbraw/zinc/09/23/56/1072092356.db2.gz PNRGUDXTCMDPJH-UHFFFAOYSA-N -1 0 533.665 5.759 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccccc1 ZINC000409070934 1072092480 /nfs/dbraw/zinc/09/24/80/1072092480.db2.gz PLUKSHIMCFZONG-UHFFFAOYSA-N -1 0 597.752 7.163 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070757 1072092789 /nfs/dbraw/zinc/09/27/89/1072092789.db2.gz LYZQNBFTSBTGKR-UHFFFAOYSA-N -1 0 754.039 6.491 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(Br)c2)cc1C(C)C ZINC000409300374 1072093123 /nfs/dbraw/zinc/09/31/23/1072093123.db2.gz WFHXFVRIDXQBES-UHFFFAOYSA-N -1 0 733.457 8.578 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC(=O)[O-] ZINC000409070786 1072093325 /nfs/dbraw/zinc/09/33/25/1072093325.db2.gz MBIYZUICWPPTRK-UHFFFAOYSA-N -1 0 535.681 5.983 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409300110 1072093645 /nfs/dbraw/zinc/09/36/45/1072093645.db2.gz WVVGGXBPLDLFCF-UHFFFAOYSA-N -1 0 535.442 5.753 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409300017 1072095770 /nfs/dbraw/zinc/09/57/70/1072095770.db2.gz TYIWMJDPWKCFEJ-UHFFFAOYSA-N -1 0 687.550 8.139 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070401 1072096034 /nfs/dbraw/zinc/09/60/34/1072096034.db2.gz GDBPKAATYQCBOU-UHFFFAOYSA-N -1 0 727.636 7.299 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409300038 1072096218 /nfs/dbraw/zinc/09/62/18/1072096218.db2.gz UBKSOVVUNTZIHO-ZDUSSCGKSA-N -1 0 611.792 5.868 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409069886 1072098863 /nfs/dbraw/zinc/09/88/63/1072098863.db2.gz BDPLJQFRXLJCPV-BHGWPJFGSA-N -1 0 534.160 6.148 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409070152 1072096460 /nfs/dbraw/zinc/09/64/60/1072096460.db2.gz NDEYAKZPKAPYIU-OEAKJJBVSA-N -1 0 502.954 5.323 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409070170 1072096572 /nfs/dbraw/zinc/09/65/72/1072096572.db2.gz XVOGNVYYKPAIQO-AJBULDERSA-N -1 0 623.105 7.292 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409070172 1072096672 /nfs/dbraw/zinc/09/66/72/1072096672.db2.gz DSWPZWBJXIBHEC-OVVQPSECSA-N -1 0 540.616 5.766 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409070264 1072097682 /nfs/dbraw/zinc/09/76/82/1072097682.db2.gz FDDZTQHQEWAPNX-UHFFFAOYSA-N -1 0 713.828 6.521 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409299904 1072098053 /nfs/dbraw/zinc/09/80/53/1072098053.db2.gz SWWAEAWPOMPRDP-UHFFFAOYSA-N -1 0 574.681 7.011 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409069731 1072099794 /nfs/dbraw/zinc/09/97/94/1072099794.db2.gz VWPGADARGLTEOG-UHFFFAOYSA-N -1 0 546.060 5.144 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409069567 1072101054 /nfs/dbraw/zinc/10/10/54/1072101054.db2.gz LPGORCADWXKOLY-UHFFFAOYSA-N -1 0 506.426 5.772 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(F)cc1 ZINC000409069679 1072102107 /nfs/dbraw/zinc/10/21/07/1072102107.db2.gz WYOWUVZRWCEWIA-UHFFFAOYSA-N -1 0 701.573 7.178 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409069204 1072105306 /nfs/dbraw/zinc/10/53/06/1072105306.db2.gz HZVNCXFKEMDMKF-PCLIKHOPSA-N -1 0 547.007 5.721 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409299240 1072106000 /nfs/dbraw/zinc/10/60/00/1072106000.db2.gz RQDVOBAJOFLWDL-UHFFFAOYSA-N -1 0 628.907 6.274 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1F ZINC000409069018 1072106377 /nfs/dbraw/zinc/10/63/77/1072106377.db2.gz UFWQIKOHDWXWMJ-UHFFFAOYSA-N -1 0 624.149 7.617 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409069917 1072099289 /nfs/dbraw/zinc/09/92/89/1072099289.db2.gz YODKUFYZFWKSQJ-UHFFFAOYSA-N -1 0 636.583 7.197 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409068464 1072111750 /nfs/dbraw/zinc/11/17/50/1072111750.db2.gz GMKVBOWMTMQFKP-UHFFFAOYSA-N -1 0 598.117 5.878 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409068691 1072108206 /nfs/dbraw/zinc/10/82/06/1072108206.db2.gz BOHCGIPRSKRELV-BUVRLJJBSA-N -1 0 605.441 5.218 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C2=C1CCCC2=O ZINC000409067970 1072114075 /nfs/dbraw/zinc/11/40/75/1072114075.db2.gz FCJLVXLRCCDTLA-UHFFFAOYSA-N -1 0 516.550 5.062 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C)cc1 ZINC000409068766 1072108758 /nfs/dbraw/zinc/10/87/58/1072108758.db2.gz VEIOHILVYDINFC-UHFFFAOYSA-N -1 0 664.637 7.896 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br)C(=O)[O-] ZINC000409298923 1072114317 /nfs/dbraw/zinc/11/43/17/1072114317.db2.gz QGQYKWHZQOPBMN-ZDUSSCGKSA-N -1 0 601.240 6.613 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409298951 1072110622 /nfs/dbraw/zinc/11/06/22/1072110622.db2.gz OQAPXSFLFWNTJK-UHFFFAOYSA-N -1 0 525.605 6.002 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409068399 1072110712 /nfs/dbraw/zinc/11/07/12/1072110712.db2.gz SNYGKTHOEDCCHM-UHFFFAOYSA-N -1 0 612.166 8.233 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409067895 1072115271 /nfs/dbraw/zinc/11/52/71/1072115271.db2.gz DPZJIIXGNJGTKZ-UHFFFAOYSA-N -1 0 626.577 7.741 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409067934 1072115648 /nfs/dbraw/zinc/11/56/48/1072115648.db2.gz RRLBYFCWYMJGLU-NDZAJKAJSA-N -1 0 609.078 6.902 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409298545 1072117370 /nfs/dbraw/zinc/11/73/70/1072117370.db2.gz ZSPJBOVDWYJPAD-UHFFFAOYSA-N -1 0 627.619 7.369 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409298378 1072119060 /nfs/dbraw/zinc/11/90/60/1072119060.db2.gz ZFSQNZFEAGNJBR-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM O=C([O-])COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409298221 1072120684 /nfs/dbraw/zinc/12/06/84/1072120684.db2.gz NXCUFTODRSANNU-UHFFFAOYSA-N -1 0 518.795 5.206 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409080446 1072123257 /nfs/dbraw/zinc/12/32/57/1072123257.db2.gz HYUBFSYGNISZKG-UHFFFAOYSA-N -1 0 547.520 5.183 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409080361 1072125549 /nfs/dbraw/zinc/12/55/49/1072125549.db2.gz NIASSIVQBHYDEO-UHFFFAOYSA-N -1 0 616.410 6.490 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1I)C(=O)[O-] ZINC000409297764 1072126739 /nfs/dbraw/zinc/12/67/39/1072126739.db2.gz XJMSSWBPAFBBBM-AWEZNQCLSA-N -1 0 613.795 5.802 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409297793 1072127151 /nfs/dbraw/zinc/12/71/51/1072127151.db2.gz LCIVUCQZNPLMIY-UHFFFAOYSA-N -1 0 584.854 5.933 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409315276 1072135092 /nfs/dbraw/zinc/13/50/92/1072135092.db2.gz IGFGSTHQJAKGOW-UHFFFAOYSA-N -1 0 613.852 6.223 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409079214 1072135928 /nfs/dbraw/zinc/13/59/28/1072135928.db2.gz ADEVDYWERBGHPQ-WDZCHGPJSA-N -1 0 613.135 7.689 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409315402 1072136368 /nfs/dbraw/zinc/13/63/68/1072136368.db2.gz VELJTEJUZIRHAS-UHFFFAOYSA-N -1 0 603.300 6.968 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409315065 1072138383 /nfs/dbraw/zinc/13/83/83/1072138383.db2.gz MXWPFQRGTWEZHR-MRXNPFEDSA-N -1 0 643.332 6.603 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409314589 1072141992 /nfs/dbraw/zinc/14/19/92/1072141992.db2.gz LOBLIAXVXYRYCT-UHFFFAOYSA-N -1 0 609.433 5.578 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(Cl)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409078721 1072143081 /nfs/dbraw/zinc/14/30/81/1072143081.db2.gz JHVKBDMPCJXOEL-BNWUJJENSA-N -1 0 535.924 8.568 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409313345 1072153203 /nfs/dbraw/zinc/15/32/03/1072153203.db2.gz POFQTNKVMOLACR-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409078036 1072148178 /nfs/dbraw/zinc/14/81/78/1072148178.db2.gz GHXDZCLKDJSPFQ-AHXPITADSA-N -1 0 575.473 8.079 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409313634 1072150998 /nfs/dbraw/zinc/15/09/98/1072150998.db2.gz QIUDTFGLGLSGIO-UHFFFAOYSA-N -1 0 579.407 5.569 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409313656 1072151503 /nfs/dbraw/zinc/15/15/03/1072151503.db2.gz QNZFKBLHACEUKX-UHFFFAOYSA-N -1 0 649.498 6.673 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409312724 1072158117 /nfs/dbraw/zinc/15/81/17/1072158117.db2.gz LYLHKHVUCUJXJO-OAHLLOKOSA-N -1 0 603.300 7.139 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409313184 1072154277 /nfs/dbraw/zinc/15/42/77/1072154277.db2.gz ORUYNFSHTKTOMG-INIZCTEOSA-N -1 0 568.855 6.485 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)c2C(=O)NCc2ccco2)C1 ZINC000409077376 1072156081 /nfs/dbraw/zinc/15/60/81/1072156081.db2.gz DHWSCIKKUPRJPY-DWXNMZIJSA-N -1 0 649.607 8.212 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409312674 1072157647 /nfs/dbraw/zinc/15/76/47/1072157647.db2.gz GGVUMERVCBQLAU-AWEZNQCLSA-N -1 0 607.299 5.712 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409312009 1072166139 /nfs/dbraw/zinc/16/61/39/1072166139.db2.gz ITBRPCSWWNUCDK-UHFFFAOYSA-N -1 0 641.744 6.367 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC000409311488 1072170002 /nfs/dbraw/zinc/17/00/02/1072170002.db2.gz GPXRJMWYHZUPLT-LBPRGKRZSA-N -1 0 660.157 5.769 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409086179 1072170458 /nfs/dbraw/zinc/17/04/58/1072170458.db2.gz GFFIQWUFABJWLG-JVWAILMASA-N -1 0 581.097 6.338 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2I)c1 ZINC000409310400 1072183465 /nfs/dbraw/zinc/18/34/65/1072183465.db2.gz BAPLDHVRYWSMRT-UHFFFAOYSA-N -1 0 686.344 6.971 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409084849 1072185317 /nfs/dbraw/zinc/18/53/17/1072185317.db2.gz QRQLXUWXMXRRNU-UHFFFAOYSA-N -1 0 581.965 5.837 40 30 KKEBRM CC(C)CN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409085017 1072184358 /nfs/dbraw/zinc/18/43/58/1072184358.db2.gz YEKIIAWKNNIJRY-FLIKEUPFSA-N -1 0 544.696 6.831 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000409310174 1072184388 /nfs/dbraw/zinc/18/43/88/1072184388.db2.gz RPWRLUIMNXHSQL-UHFFFAOYSA-N -1 0 684.341 7.037 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc2n1CC(=O)[O-] ZINC000409310199 1072184453 /nfs/dbraw/zinc/18/44/53/1072184453.db2.gz SAEVPJVFYPJYLQ-UHFFFAOYSA-N -1 0 521.415 5.437 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCC(=O)[O-] ZINC000409309920 1072187439 /nfs/dbraw/zinc/18/74/39/1072187439.db2.gz NYRDUKPYLSQFTG-UHFFFAOYSA-N -1 0 654.299 5.556 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409309319 1072193032 /nfs/dbraw/zinc/19/30/32/1072193032.db2.gz FKYHTQYQVJMUSS-OLZOCXBDSA-N -1 0 536.810 5.069 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084367 1072190157 /nfs/dbraw/zinc/19/01/57/1072190157.db2.gz XBHTWEZLLJXSAO-WBBAFLOHSA-N -1 0 512.031 7.169 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084048 1072193348 /nfs/dbraw/zinc/19/33/48/1072193348.db2.gz WGDALJFZAAYPLR-UHFFFAOYSA-N -1 0 654.638 7.421 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)NCc1ccco1)CC[C@@H](C(C)(C)C)C2 ZINC000409084403 1072190813 /nfs/dbraw/zinc/19/08/13/1072190813.db2.gz XWGVLLLMXTYBEM-XJQADQMNSA-N -1 0 516.667 6.163 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Cl)c1 ZINC000409309107 1072197049 /nfs/dbraw/zinc/19/70/49/1072197049.db2.gz BNSYUASFRBXCCE-UHFFFAOYSA-N -1 0 629.338 7.673 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308972 1072199730 /nfs/dbraw/zinc/19/97/30/1072199730.db2.gz ZWTKWZFJXHACOK-UHFFFAOYSA-N -1 0 782.239 8.265 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409082963 1072206746 /nfs/dbraw/zinc/20/67/46/1072206746.db2.gz UMJJJVATEWNBGK-MBSFUZNYSA-N -1 0 561.103 8.514 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409083138 1072202495 /nfs/dbraw/zinc/20/24/95/1072202495.db2.gz KOOISQZJNXARRD-ZHYUTQBBSA-N -1 0 544.673 7.439 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(I)c1OCC(=O)[O-] ZINC000409083204 1072202875 /nfs/dbraw/zinc/20/28/75/1072202875.db2.gz KSFCDRDQCIBPSA-JWHVREMKSA-N -1 0 552.434 5.598 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2)c1 ZINC000409308534 1072206036 /nfs/dbraw/zinc/20/60/36/1072206036.db2.gz XUBWYGDYIHXNSN-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082798 1072208598 /nfs/dbraw/zinc/20/85/98/1072208598.db2.gz SWLILVPFZMINNB-UDWIEESQSA-N -1 0 601.921 6.463 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409082453 1072210925 /nfs/dbraw/zinc/21/09/25/1072210925.db2.gz JEKHVPUSLPEOLG-JUSJZLSKSA-N -1 0 561.103 8.514 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409307947 1072215467 /nfs/dbraw/zinc/21/54/67/1072215467.db2.gz VPDNOBIPUGTXAY-UHFFFAOYSA-N -1 0 605.691 7.062 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082385 1072213862 /nfs/dbraw/zinc/21/38/62/1072213862.db2.gz PUXMRMNPOZIMFG-UHFFFAOYSA-N -1 0 747.393 7.591 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081987 1072215991 /nfs/dbraw/zinc/21/59/91/1072215991.db2.gz QTZMGGJGDNIIMB-UHFFFAOYSA-N -1 0 761.420 7.981 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1C(C)C ZINC000409307820 1072217808 /nfs/dbraw/zinc/21/78/08/1072217808.db2.gz WLJLMKVIYQVXAW-UHFFFAOYSA-N -1 0 521.573 6.344 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081698 1072219369 /nfs/dbraw/zinc/21/93/69/1072219369.db2.gz QEKKJPXGSGROLB-UHFFFAOYSA-N -1 0 691.497 7.939 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081125 1072225470 /nfs/dbraw/zinc/22/54/70/1072225470.db2.gz ORPLDNARRWWFMB-UHFFFAOYSA-N -1 0 611.991 5.845 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409081192 1072226377 /nfs/dbraw/zinc/22/63/77/1072226377.db2.gz JYBUGDOLRVMFGM-AQIFPNHESA-N -1 0 556.482 7.278 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409316325 1072231269 /nfs/dbraw/zinc/23/12/69/1072231269.db2.gz MFAFYZBGQQJJPM-INIZCTEOSA-N -1 0 660.306 6.437 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409316788 1072228220 /nfs/dbraw/zinc/22/82/20/1072228220.db2.gz NCHLFCOBCWQSPS-UHFFFAOYSA-N -1 0 658.303 6.332 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409316224 1072233157 /nfs/dbraw/zinc/23/31/57/1072233157.db2.gz PMSVLZIEHRFAOB-ZDUSSCGKSA-N -1 0 686.195 6.474 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC000409316270 1072233756 /nfs/dbraw/zinc/23/37/56/1072233756.db2.gz LKGANOKTSQHYTR-CYBMUJFWSA-N -1 0 581.261 5.007 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409325808 1072252832 /nfs/dbraw/zinc/25/28/32/1072252832.db2.gz BGWNPGSMKGSUDG-INIZCTEOSA-N -1 0 613.306 6.594 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409093328 1072255207 /nfs/dbraw/zinc/25/52/07/1072255207.db2.gz YXGWIBGHBSHDOO-UIHWRNLWSA-N -1 0 595.548 9.167 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC000409325824 1072253177 /nfs/dbraw/zinc/25/31/77/1072253177.db2.gz BORZEELOUQWCBG-UHFFFAOYSA-N -1 0 722.228 7.195 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409093478 1072253640 /nfs/dbraw/zinc/25/36/40/1072253640.db2.gz ZRTDHTLJPZPFEB-YZOBSOIESA-N -1 0 593.960 8.326 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409326116 1072249781 /nfs/dbraw/zinc/24/97/81/1072249781.db2.gz GYABFMJCWBDHSU-VXGBXAGGSA-N -1 0 596.232 5.077 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409326115 1072249830 /nfs/dbraw/zinc/24/98/30/1072249830.db2.gz GYABFMJCWBDHSU-RYUDHWBXSA-N -1 0 596.232 5.077 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409326172 1072250349 /nfs/dbraw/zinc/25/03/49/1072250349.db2.gz HTNHHMQAKMPPSW-CYBMUJFWSA-N -1 0 656.169 6.466 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Br ZINC000409093379 1072252207 /nfs/dbraw/zinc/25/22/07/1072252207.db2.gz ZIRMKGBNAFSJJZ-LOJSRYSBSA-N -1 0 588.277 6.484 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409325809 1072252715 /nfs/dbraw/zinc/25/27/15/1072252715.db2.gz BGWNPGSMKGSUDG-MRXNPFEDSA-N -1 0 613.306 6.594 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC000409325798 1072252733 /nfs/dbraw/zinc/25/27/33/1072252733.db2.gz BFLBAQVJSHROLB-LJQANCHMSA-N -1 0 584.470 6.985 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409325343 1072258717 /nfs/dbraw/zinc/25/87/17/1072258717.db2.gz YBQTXBXSQQEZHH-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409092895 1072259381 /nfs/dbraw/zinc/25/93/81/1072259381.db2.gz XSACJNDFCXZFPK-HYPWSZPLSA-N -1 0 576.674 7.510 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC000409324556 1072264739 /nfs/dbraw/zinc/26/47/39/1072264739.db2.gz UBTNUJOCNVNWTB-UHFFFAOYSA-N -1 0 613.512 6.678 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091254 1072273763 /nfs/dbraw/zinc/27/37/63/1072273763.db2.gz OWGWNCRLPQSWJD-SJJYLRMESA-N -1 0 637.972 9.349 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409091594 1072271290 /nfs/dbraw/zinc/27/12/90/1072271290.db2.gz RQWNONKGFZMJTK-SJZMGMJVSA-N -1 0 643.987 8.038 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409323268 1072276826 /nfs/dbraw/zinc/27/68/26/1072276826.db2.gz NBRKJLBGJWZEJO-MRXNPFEDSA-N -1 0 579.407 5.740 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090786 1072277364 /nfs/dbraw/zinc/27/73/64/1072277364.db2.gz OOJKREQDSYARAU-UHFFFAOYSA-N -1 0 759.550 7.069 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409090824 1072277810 /nfs/dbraw/zinc/27/78/10/1072277810.db2.gz OWGXGMGXKKQAPS-PSMFAKESSA-N -1 0 544.673 7.439 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@@H](C)C(=O)[O-])c2ccccc12 ZINC000409322972 1072279439 /nfs/dbraw/zinc/27/94/39/1072279439.db2.gz MAEYZYQXRJAUKI-HOCLYGCPSA-N -1 0 509.404 5.463 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322831 1072280340 /nfs/dbraw/zinc/28/03/40/1072280340.db2.gz LGHKLEGDVPTAKK-HNNXBMFYSA-N -1 0 613.852 6.394 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409321990 1072288279 /nfs/dbraw/zinc/28/82/79/1072288279.db2.gz IEGFOYXZXZMPCK-UHFFFAOYSA-N -1 0 612.908 6.713 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409089872 1072285386 /nfs/dbraw/zinc/28/53/86/1072285386.db2.gz KUYBOVFUUKKCRX-UHFFFAOYSA-N -1 0 556.493 5.904 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Br)cc1 ZINC000409322263 1072285732 /nfs/dbraw/zinc/28/57/32/1072285732.db2.gz IRQRCAISILYZCQ-UHFFFAOYSA-N -1 0 639.344 7.129 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409089712 1072285815 /nfs/dbraw/zinc/28/58/15/1072285815.db2.gz JUPQAVARFKENCZ-UHFFFAOYSA-N -1 0 658.491 7.372 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322054 1072286616 /nfs/dbraw/zinc/28/66/16/1072286616.db2.gz ITJGSIFBMUWRIO-UHFFFAOYSA-N -1 0 635.471 6.283 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409321904 1072287517 /nfs/dbraw/zinc/28/75/17/1072287517.db2.gz HSPPZPXJOWPXKZ-MRXNPFEDSA-N -1 0 613.306 6.594 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089297 1072289855 /nfs/dbraw/zinc/28/98/55/1072289855.db2.gz ZYKRAQFETCIWFV-UHFFFAOYSA-N -1 0 721.523 7.947 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@@H](C)C(=O)[O-] ZINC000409321667 1072290822 /nfs/dbraw/zinc/29/08/22/1072290822.db2.gz UMZAWNYEBLXEJU-OLZOCXBDSA-N -1 0 551.235 5.169 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409321286 1072292727 /nfs/dbraw/zinc/29/27/27/1072292727.db2.gz STHKOIKCKVHBNI-LLVKDONJSA-N -1 0 571.653 5.262 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCC(=O)[O-])c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409089088 1072293206 /nfs/dbraw/zinc/29/32/06/1072293206.db2.gz HEPZUZRGGVCWNP-REKXRUHJSA-N -1 0 603.966 7.781 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088841 1072293992 /nfs/dbraw/zinc/29/39/92/1072293992.db2.gz YMRLHTXYWTZQSR-RGVLZGJSSA-N -1 0 592.948 5.661 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409088913 1072294473 /nfs/dbraw/zinc/29/44/73/1072294473.db2.gz LCHRJLGQGZFPAO-UHFFFAOYSA-N -1 0 590.938 6.557 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409320407 1072300680 /nfs/dbraw/zinc/30/06/80/1072300680.db2.gz DCGDOXQVNRVPSP-UHFFFAOYSA-N -1 0 613.306 6.424 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409088016 1072301986 /nfs/dbraw/zinc/30/19/86/1072301986.db2.gz VPVVJKZICXTZBF-AAYNNKITSA-N -1 0 585.081 7.825 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Cl)c1Br ZINC000409319953 1072304859 /nfs/dbraw/zinc/30/48/59/1072304859.db2.gz OBHQZKKPIPIQCA-UHFFFAOYSA-N -1 0 601.679 5.272 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC000409319817 1072306117 /nfs/dbraw/zinc/30/61/17/1072306117.db2.gz MGGGVPOPIGJSIB-NWDGAFQWSA-N -1 0 660.157 5.940 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087643 1072307680 /nfs/dbraw/zinc/30/76/80/1072307680.db2.gz CROTWXDPLDPLDC-HYARGMPZSA-N -1 0 588.529 5.098 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000409319772 1072308472 /nfs/dbraw/zinc/30/84/72/1072308472.db2.gz LNOFYVWXVLOCAW-GFCCVEGCSA-N -1 0 541.229 5.543 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC000409319515 1072308886 /nfs/dbraw/zinc/30/88/86/1072308886.db2.gz HNEPPNPEJPZMOG-UHFFFAOYSA-N -1 0 657.359 6.822 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409318872 1072316171 /nfs/dbraw/zinc/31/61/71/1072316171.db2.gz YJKAXRDBTYIXHR-UHFFFAOYSA-N -1 0 534.410 5.661 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409318714 1072317480 /nfs/dbraw/zinc/31/74/80/1072317480.db2.gz XJDHSLKVSWTINT-UHFFFAOYSA-N -1 0 599.279 6.033 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409317690 1072326344 /nfs/dbraw/zinc/32/63/44/1072326344.db2.gz RTSYVRSSYDSTRX-HZPDHXFCSA-N -1 0 522.399 5.560 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409317755 1072326864 /nfs/dbraw/zinc/32/68/64/1072326864.db2.gz RTLVZHMQAQVREP-UHFFFAOYSA-N -1 0 647.751 7.077 40 30 KKEBRM N#Cc1ccc(COc2c(I)cc(/C=C3/SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)cc2I)cc1 ZINC000409099978 1072322531 /nfs/dbraw/zinc/32/25/31/1072322531.db2.gz SJBFGADKYVOUAJ-UFFVCSGVSA-N -1 0 724.339 6.450 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409336019 1072333648 /nfs/dbraw/zinc/33/36/48/1072333648.db2.gz ZZJRAYNWKNMMDN-INIZCTEOSA-N -1 0 643.332 6.603 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409336323 1072331307 /nfs/dbraw/zinc/33/13/07/1072331307.db2.gz ROPDDJSBGNRPQV-UHFFFAOYSA-N -1 0 717.842 8.181 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000409336087 1072334018 /nfs/dbraw/zinc/33/40/18/1072334018.db2.gz LWCAAABIZHARQV-FQPQHQGXSA-N -1 0 685.765 6.625 40 30 KKEBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409335942 1072335344 /nfs/dbraw/zinc/33/53/44/1072335344.db2.gz ZULXAHRDOOIGGI-RGVLZGJSSA-N -1 0 633.514 5.358 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409335612 1072337173 /nfs/dbraw/zinc/33/71/73/1072337173.db2.gz KRWUTAHLKMDSHG-NEORNSOTSA-N -1 0 530.469 5.868 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409335565 1072339001 /nfs/dbraw/zinc/33/90/01/1072339001.db2.gz PAAPDLPCJDVIPY-UHFFFAOYSA-N -1 0 608.243 5.223 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)SC2=N)s1 ZINC000409334762 1072343429 /nfs/dbraw/zinc/34/34/29/1072343429.db2.gz ILHRIPDKNIIVHD-NTSYAULNSA-N -1 0 527.502 7.137 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(Br)cc1 ZINC000409333846 1072350156 /nfs/dbraw/zinc/35/01/56/1072350156.db2.gz DOCKUBNKHQLLJX-OKYLLYMWSA-N -1 0 501.427 5.911 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(I)c1OCc1ccc(Br)cc1 ZINC000409333889 1072350173 /nfs/dbraw/zinc/35/01/73/1072350173.db2.gz FJKJFYLYQKJUQF-NVQQQHFASA-N -1 0 641.350 6.906 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409334066 1072349167 /nfs/dbraw/zinc/34/91/67/1072349167.db2.gz RITBLNVBDXQKNT-MRXNPFEDSA-N -1 0 691.804 7.647 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409332734 1072359013 /nfs/dbraw/zinc/35/90/13/1072359013.db2.gz LUFAVMHFVUJTEU-NSHDSACASA-N -1 0 601.679 5.270 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409331112 1072372008 /nfs/dbraw/zinc/37/20/08/1072372008.db2.gz COSRLHHRWZMLSE-UHFFFAOYSA-N -1 0 604.501 6.398 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409328161 1072394698 /nfs/dbraw/zinc/39/46/98/1072394698.db2.gz ZTXSUMYDRJBQDW-UHFFFAOYSA-N -1 0 513.617 5.505 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000409327312 1072401795 /nfs/dbraw/zinc/40/17/95/1072401795.db2.gz SCOOXJYOASXSAA-ZDUSSCGKSA-N -1 0 528.790 6.166 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)SC2=N)s1 ZINC000409337052 1072404038 /nfs/dbraw/zinc/40/40/38/1072404038.db2.gz STNAWRKLBSOZMP-OXHSWEJPSA-N -1 0 550.503 7.013 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409107799 1072412864 /nfs/dbraw/zinc/41/28/64/1072412864.db2.gz QRNPEXREFAWYAL-MTDXEUNCSA-N -1 0 616.692 6.165 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409343865 1072437887 /nfs/dbraw/zinc/43/78/87/1072437887.db2.gz FSBUHFQDKUTXGZ-UHFFFAOYSA-N -1 0 572.799 5.076 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409124247 1072468136 /nfs/dbraw/zinc/46/81/36/1072468136.db2.gz AGUUNHNZZOYGFD-RGVLZGJSSA-N -1 0 522.406 5.821 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)SC2=N)s1 ZINC000409337652 1072492117 /nfs/dbraw/zinc/49/21/17/1072492117.db2.gz XCNULNKQJGMGIC-YOZQUFITSA-N -1 0 673.339 6.307 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337689 1072492793 /nfs/dbraw/zinc/49/27/93/1072492793.db2.gz XZOCWLCOLMSPKM-WSAQVMDCSA-N -1 0 623.392 7.021 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409134310 1072493244 /nfs/dbraw/zinc/49/32/44/1072493244.db2.gz ODQRKGPAWCAPJM-OVVQPSECSA-N -1 0 648.734 5.349 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409128565 1072524407 /nfs/dbraw/zinc/52/44/07/1072524407.db2.gz PQBQJWOKJMNDHP-NDZAJKAJSA-N -1 0 620.702 6.615 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386048 1072689583 /nfs/dbraw/zinc/68/95/83/1072689583.db2.gz QRKMRXKZFRNXGJ-QNQJOHRQSA-N -1 0 538.666 6.503 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)SC1=Nc1ccccc1 ZINC000409385475 1072693410 /nfs/dbraw/zinc/69/34/10/1072693410.db2.gz KTBQGKHEDGMJIZ-HRZUIIPWSA-N -1 0 549.718 6.373 40 30 KKEBRM CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2C2CCCCC2)cc1 ZINC000409158531 1072693698 /nfs/dbraw/zinc/69/36/98/1072693698.db2.gz OVHWEJKZPACEJZ-IUQJVVIISA-N -1 0 535.065 7.797 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)S2)cc1 ZINC000409385138 1072694792 /nfs/dbraw/zinc/69/47/92/1072694792.db2.gz IBVXQMXGOZNBCS-HMAPJEAMSA-N -1 0 521.664 6.023 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384826 1072696538 /nfs/dbraw/zinc/69/65/38/1072696538.db2.gz DWJAPVHISGFWHK-VKQYFQMFSA-N -1 0 534.590 5.348 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409406241 1072758446 /nfs/dbraw/zinc/75/84/46/1072758446.db2.gz WTRGQJHCDLKVGK-UHFFFAOYSA-N -1 0 584.426 5.994 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3OCc3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000409187195 1072760719 /nfs/dbraw/zinc/76/07/19/1072760719.db2.gz NFKTXYGHZYQOQV-HAHDFKILSA-N -1 0 504.564 5.263 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(CC=C)c(OCC(=O)[O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186140 1072764197 /nfs/dbraw/zinc/76/41/97/1072764197.db2.gz XLDAADDCWJXFFM-VWGNKODMSA-N -1 0 691.806 6.280 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(CC=C)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185782 1072766797 /nfs/dbraw/zinc/76/67/97/1072766797.db2.gz QBFYPZKVQXAKMI-LFJHZJBCSA-N -1 0 781.931 8.484 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1Br ZINC000409404170 1072768131 /nfs/dbraw/zinc/76/81/31/1072768131.db2.gz CRFVODIEPYTDBS-UCQKPKSFSA-N -1 0 612.318 6.379 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409185009 1072773947 /nfs/dbraw/zinc/77/39/47/1072773947.db2.gz PHNWVEJVWHOMRU-NHDPSOOVSA-N -1 0 529.401 6.171 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409402314 1072776318 /nfs/dbraw/zinc/77/63/18/1072776318.db2.gz HFFMOIMQIXYVJP-UHFFFAOYSA-N -1 0 512.569 5.955 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409401176 1072782066 /nfs/dbraw/zinc/78/20/66/1072782066.db2.gz CMERYNZVTPKQPN-UHFFFAOYSA-N -1 0 509.949 5.876 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3C)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409183398 1072784349 /nfs/dbraw/zinc/78/43/49/1072784349.db2.gz BWZRIJDYKORLDQ-XKZIYDEJSA-N -1 0 553.434 5.935 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409409034 1072812154 /nfs/dbraw/zinc/81/21/54/1072812154.db2.gz SRAIRYQKQJFOJH-JLPGSUDCSA-N -1 0 533.422 5.617 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187976 1072884220 /nfs/dbraw/zinc/88/42/20/1072884220.db2.gz WCNYVAJACBNQRV-XKZIYDEJSA-N -1 0 508.983 5.826 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531095977 1072928081 /nfs/dbraw/zinc/92/80/81/1072928081.db2.gz YXNHRXSEDQOUPM-JELCJJKJSA-N -1 0 595.288 5.352 40 30 KKEBRM COc1cccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC001531109816 1072931336 /nfs/dbraw/zinc/93/13/36/1072931336.db2.gz OFBSILQGBAVMBE-MNDYBZJGSA-N -1 0 564.436 5.625 40 30 KKEBRM COc1cc(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531142615 1072942736 /nfs/dbraw/zinc/94/27/36/1072942736.db2.gz JWAGVZNSZAIVMJ-AQLQTECXSA-N -1 0 643.332 6.387 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531142727 1072943185 /nfs/dbraw/zinc/94/31/85/1072943185.db2.gz VVMGMUGKXJADCQ-AAPHRLRXSA-N -1 0 603.300 6.923 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001531149784 1072945546 /nfs/dbraw/zinc/94/55/46/1072945546.db2.gz LKBNLDWOGQWSIW-PPDIBHTLSA-N -1 0 528.790 5.950 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(I)c([O-])c(I)c1 ZINC001531150725 1072946062 /nfs/dbraw/zinc/94/60/62/1072946062.db2.gz DIHMZQKIFJYRCJ-AQHIEDMUSA-N -1 0 652.068 5.254 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1c(Br)cc(Br)c([O-])c1Br ZINC001531155965 1072947430 /nfs/dbraw/zinc/94/74/30/1072947430.db2.gz HLBXGTUDIJZMEY-GYRAYZOKSA-N -1 0 636.964 6.332 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531177842 1072955422 /nfs/dbraw/zinc/95/54/22/1072955422.db2.gz HRLWTFWOHYUSFY-AMVVHIIESA-N -1 0 676.305 5.884 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409212597 1072959066 /nfs/dbraw/zinc/95/90/66/1072959066.db2.gz QVTBMWSGPSKELQ-MFKUBSTISA-N -1 0 550.032 6.985 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409211729 1072961584 /nfs/dbraw/zinc/96/15/84/1072961584.db2.gz JZBHWWFOAUZIQP-BYIXQCRASA-N -1 0 550.640 5.991 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531203682 1072965590 /nfs/dbraw/zinc/96/55/90/1072965590.db2.gz ATIKDKQAXBCMTR-CNCDYAKUSA-N -1 0 612.908 6.668 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409209923 1072967207 /nfs/dbraw/zinc/96/72/07/1072967207.db2.gz JTYNVWSAFDPXJX-KTZUFFFVSA-N -1 0 608.498 6.056 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-] ZINC001531209853 1072967895 /nfs/dbraw/zinc/96/78/95/1072967895.db2.gz IIPNVHPLKVXYDD-UGGZHSSNSA-N -1 0 585.680 5.607 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC001531215936 1072970228 /nfs/dbraw/zinc/97/02/28/1072970228.db2.gz BMSYDWCROJOLGY-MWYAZZEHSA-N -1 0 710.104 5.011 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531229856 1072978833 /nfs/dbraw/zinc/97/88/33/1072978833.db2.gz KACIDLYVTRADAO-VTKCVZDWSA-N -1 0 691.804 7.647 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531229838 1072978841 /nfs/dbraw/zinc/97/88/41/1072978841.db2.gz ITGRVDIMYAXBCA-AMVVHIIESA-N -1 0 629.305 6.042 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Br)c1Br ZINC001531231685 1072983894 /nfs/dbraw/zinc/98/38/94/1072983894.db2.gz PWILMAPGVVGXKL-NSKAYECMSA-N -1 0 646.130 5.381 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531236042 1072989677 /nfs/dbraw/zinc/98/96/77/1072989677.db2.gz LUKDZNDBBVZLTM-WGNGTQIVSA-N -1 0 568.855 6.485 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC001531236502 1072991401 /nfs/dbraw/zinc/99/14/01/1072991401.db2.gz ZOVFLRXCXKCNTG-HIWRWHBISA-N -1 0 677.777 7.086 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC001531238614 1072993512 /nfs/dbraw/zinc/99/35/12/1072993512.db2.gz OIWMDSXFMIAOIP-ACLYYTTKSA-N -1 0 585.680 5.823 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531238713 1072994415 /nfs/dbraw/zinc/99/44/15/1072994415.db2.gz PXWJDEJDEHDGEI-FJEPWZHXSA-N -1 0 613.306 6.424 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC001531245252 1073002960 /nfs/dbraw/zinc/00/29/60/1073002960.db2.gz URZJDXNWGNSXMD-ROPCREHHSA-N -1 0 736.255 7.585 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531255940 1073012702 /nfs/dbraw/zinc/01/27/02/1073012702.db2.gz VMJVOQKYILHAOJ-IBBHUPRXSA-N -1 0 598.881 6.323 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001531255946 1073012758 /nfs/dbraw/zinc/01/27/58/1073012758.db2.gz WQLOJMWGZYMWMQ-RWPZCVJISA-N -1 0 520.383 5.271 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531256524 1073013769 /nfs/dbraw/zinc/01/37/69/1073013769.db2.gz IPPKHGFWNQVSGO-PTFKFJSFSA-N -1 0 551.235 5.169 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1[O-] ZINC001531263069 1073019798 /nfs/dbraw/zinc/01/97/98/1073019798.db2.gz JAQNHBZSZDQWCL-SRIQITJBSA-N -1 0 513.617 5.676 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531263189 1073020535 /nfs/dbraw/zinc/02/05/35/1073020535.db2.gz ORUYNFSHTKTOMG-ZNIRGWDNSA-N -1 0 568.855 6.485 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC001531263402 1073020579 /nfs/dbraw/zinc/02/05/79/1073020579.db2.gz RQUXKCWCACAEDR-HWDKICEFSA-N -1 0 595.288 5.397 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409229527 1073020792 /nfs/dbraw/zinc/02/07/92/1073020792.db2.gz QNFWDIGITFOTMD-YDZHTSKRSA-N -1 0 648.906 6.821 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)S1 ZINC000409229383 1073021592 /nfs/dbraw/zinc/02/15/92/1073021592.db2.gz OHGCLSDEYAQAGR-VIZOYTHASA-N -1 0 516.200 5.419 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC001531268678 1073028788 /nfs/dbraw/zinc/02/87/88/1073028788.db2.gz WMDJIIZXCLYMQM-KIBLKLHPSA-N -1 0 710.104 5.056 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001531268859 1073030454 /nfs/dbraw/zinc/03/04/54/1073030454.db2.gz JKONTMKRTBEJEX-UVHMKAGCSA-N -1 0 528.790 5.995 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531269327 1073032112 /nfs/dbraw/zinc/03/21/12/1073032112.db2.gz YXCZNWKCDOSRMI-VVEOGCPPSA-N -1 0 772.175 6.480 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531269819 1073033504 /nfs/dbraw/zinc/03/35/04/1073033504.db2.gz LYLHKHVUCUJXJO-AOAIAPAPSA-N -1 0 603.300 7.139 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(F)cc1 ZINC000409237077 1073033431 /nfs/dbraw/zinc/03/34/31/1073033431.db2.gz VVCPVEGQAQJJFV-KTDAUIDJSA-N -1 0 555.425 6.489 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531275248 1073036728 /nfs/dbraw/zinc/03/67/28/1073036728.db2.gz LAHPOELSJBVPAL-CCVNUDIWSA-N -1 0 565.380 5.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531275237 1073037154 /nfs/dbraw/zinc/03/71/54/1073037154.db2.gz JTGATBCFPHFHML-AMVVHIIESA-N -1 0 658.303 6.332 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531277959 1073043269 /nfs/dbraw/zinc/04/32/69/1073043269.db2.gz LJGAWQIUPIBEFW-XWNUSCQOSA-N -1 0 615.706 5.660 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC001531282957 1073048604 /nfs/dbraw/zinc/04/86/04/1073048604.db2.gz AYXKBJDXKPYLGL-XZYGTATASA-N -1 0 627.539 7.069 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531296808 1073068413 /nfs/dbraw/zinc/06/84/13/1073068413.db2.gz YMWPJBNFFQBVJR-BNWUJJENSA-N -1 0 658.303 6.503 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531297513 1073072332 /nfs/dbraw/zinc/07/23/32/1073072332.db2.gz BWSMGRIKLMNFOM-QJTZLFFHSA-N -1 0 618.528 6.959 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC001531303380 1073077849 /nfs/dbraw/zinc/07/78/49/1073077849.db2.gz GRDSTOYNDWYBBQ-XWNUSCQOSA-N -1 0 660.157 5.769 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531304685 1073083482 /nfs/dbraw/zinc/08/34/82/1073083482.db2.gz PWYCFNZFVIMRNF-IVWJEFBKSA-N -1 0 616.104 5.371 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(I)c2)S1 ZINC000409244643 1073087065 /nfs/dbraw/zinc/08/70/65/1073087065.db2.gz GSKWLBWQTUWJPD-VIZOYTHASA-N -1 0 607.651 5.371 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(I)c1 ZINC001531318678 1073095157 /nfs/dbraw/zinc/09/51/57/1073095157.db2.gz QLKUTQKQJHOQPS-PTFKFJSFSA-N -1 0 598.235 5.011 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(OCC)c1 ZINC001531318724 1073095677 /nfs/dbraw/zinc/09/56/77/1073095677.db2.gz VMWAYQIKLSIXFD-RPPGKUMJSA-N -1 0 581.261 5.008 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531318737 1073095917 /nfs/dbraw/zinc/09/59/17/1073095917.db2.gz XLAAEQSUBZAWPX-HWFREFBRSA-N -1 0 657.359 6.993 40 30 KKEBRM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)cc1 ZINC000409242092 1073098638 /nfs/dbraw/zinc/09/86/38/1073098638.db2.gz LSJBMHWCTAUAIU-WNYPXRMOSA-N -1 0 507.615 6.412 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531326505 1073103985 /nfs/dbraw/zinc/10/39/85/1073103985.db2.gz LOUQCCRGSOCWKR-VFLNYLIXSA-N -1 0 644.276 5.942 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)[O-])c(Br)c1Br ZINC001531326584 1073105608 /nfs/dbraw/zinc/10/56/08/1073105608.db2.gz IZOOHOVBUKUDEU-LUOAPIJWSA-N -1 0 660.157 5.771 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC001531329098 1073110246 /nfs/dbraw/zinc/11/02/46/1073110246.db2.gz BFLBAQVJSHROLB-CPKNUWDISA-N -1 0 584.470 6.985 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409239666 1073112393 /nfs/dbraw/zinc/11/23/93/1073112393.db2.gz IFAMVHXOFJEXJR-JVWAILMASA-N -1 0 565.029 6.173 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC001531333315 1073117315 /nfs/dbraw/zinc/11/73/15/1073117315.db2.gz GDQXIKFHEYUDTB-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC001531337331 1073123136 /nfs/dbraw/zinc/12/31/36/1073123136.db2.gz YIAYXPHXLDSNCA-PUIHGENOSA-N -1 0 535.442 5.969 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409237626 1073124835 /nfs/dbraw/zinc/12/48/35/1073124835.db2.gz KFQXRCSZBIGKAU-GYLBKSORSA-N -1 0 658.514 6.600 40 30 KKEBRM COc1cccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000409251378 1073128205 /nfs/dbraw/zinc/12/82/05/1073128205.db2.gz PUIGKUPZMRUULT-LPYMAVHISA-N -1 0 508.983 5.826 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC001531340620 1073128703 /nfs/dbraw/zinc/12/87/03/1073128703.db2.gz LZAQFLZBYWTRJH-SAHOEIGMSA-N -1 0 677.777 7.256 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531342961 1073133522 /nfs/dbraw/zinc/13/35/22/1073133522.db2.gz UKBBPHAJKSCNSA-IBBHUPRXSA-N -1 0 598.881 6.323 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531347698 1073139548 /nfs/dbraw/zinc/13/95/48/1073139548.db2.gz SMGORSRRWOIXOU-BUMKNRDJSA-N -1 0 598.881 6.494 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531382729 1073146706 /nfs/dbraw/zinc/14/67/06/1073146706.db2.gz IZJHBORMTRLSJE-BIZUNTBRSA-N -1 0 519.557 5.622 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)cc1 ZINC001531383425 1073152120 /nfs/dbraw/zinc/15/21/20/1073152120.db2.gz JLJHLVGXRWZMHY-KPGMTVGESA-N -1 0 727.296 6.432 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC001531383884 1073154883 /nfs/dbraw/zinc/15/48/83/1073154883.db2.gz RRVHVEZGECQEHU-HWDKICEFSA-N -1 0 571.225 5.323 40 30 KKEBRM Cc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC001531384121 1073156341 /nfs/dbraw/zinc/15/63/41/1073156341.db2.gz CREQWFKIRSCIQX-HNSNBQBZSA-N -1 0 512.569 5.955 40 30 KKEBRM CN(C)c1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001531384281 1073158422 /nfs/dbraw/zinc/15/84/22/1073158422.db2.gz FWPRQMHZKHHVJE-BIZUNTBRSA-N -1 0 518.573 5.289 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC001531385568 1073168229 /nfs/dbraw/zinc/16/82/29/1073168229.db2.gz VSMKYHFHMQUDFV-CSBVJMGMSA-N -1 0 601.251 5.331 40 30 KKEBRM CN=C(NCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])NS(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC001560406230 1073194840 /nfs/dbraw/zinc/19/48/40/1073194840.db2.gz OFGVWKMKQFICIA-UHFFFAOYSA-N -1 0 661.801 5.115 40 30 KKEBRM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c(C)c1 ZINC000028627961 1073202640 /nfs/dbraw/zinc/20/26/40/1073202640.db2.gz JUJOUAHZADTGCS-PXLXIMEGSA-N -1 0 505.621 5.088 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409274832 1073306761 /nfs/dbraw/zinc/30/67/61/1073306761.db2.gz GERGKQMJWPPDBP-UHFFFAOYSA-N -1 0 543.421 5.866 40 30 KKEBRM C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409274611 1073307578 /nfs/dbraw/zinc/30/75/78/1073307578.db2.gz DVUYKLAHEJXMHK-UHFFFAOYSA-N -1 0 590.474 6.008 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409274287 1073311995 /nfs/dbraw/zinc/31/19/95/1073311995.db2.gz CMNJBVZCIMMSCU-OAHLLOKOSA-N -1 0 562.376 5.315 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409277290 1073322753 /nfs/dbraw/zinc/32/27/53/1073322753.db2.gz AMPIKKYIARFKCF-UHFFFAOYSA-N -1 0 554.828 6.095 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1OCC(=O)[O-] ZINC000409276926 1073324992 /nfs/dbraw/zinc/32/49/92/1073324992.db2.gz YBUJWIJBLJJWRV-UHFFFAOYSA-N -1 0 562.376 5.317 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409276987 1073325666 /nfs/dbraw/zinc/32/56/66/1073325666.db2.gz YQCOKFJQQKLMJX-UHFFFAOYSA-N -1 0 630.249 5.552 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409276678 1073328472 /nfs/dbraw/zinc/32/84/72/1073328472.db2.gz UZKNBZQHOSMRTR-UHFFFAOYSA-N -1 0 620.662 6.962 40 30 KKEBRM O=C([O-])Cn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc21 ZINC000409276693 1073328725 /nfs/dbraw/zinc/32/87/25/1073328725.db2.gz VEMXDBMIRNTRSN-UHFFFAOYSA-N -1 0 541.361 5.494 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409275609 1073332631 /nfs/dbraw/zinc/33/26/31/1073332631.db2.gz KNTNRRPOYBKZTE-UHFFFAOYSA-N -1 0 634.601 6.285 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409286824 1073341036 /nfs/dbraw/zinc/34/10/36/1073341036.db2.gz ZZRQATKFMDWSRQ-UHFFFAOYSA-N -1 0 646.279 6.046 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409286800 1073344244 /nfs/dbraw/zinc/34/42/44/1073344244.db2.gz QTZPSGIJYRQPCC-QFIPXVFZSA-N -1 0 583.685 6.365 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409286581 1073345003 /nfs/dbraw/zinc/34/50/03/1073345003.db2.gz WNYAKRKFTWRHPO-IBGZPJMESA-N -1 0 537.572 5.671 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409286022 1073351768 /nfs/dbraw/zinc/35/17/68/1073351768.db2.gz VJAJTXCAXHLZCW-UHFFFAOYSA-N -1 0 629.305 6.213 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409285785 1073352520 /nfs/dbraw/zinc/35/25/20/1073352520.db2.gz OJBWWLUOYRVVDV-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409285414 1073357375 /nfs/dbraw/zinc/35/73/75/1073357375.db2.gz NPFUSNSGFPZDRB-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c(Cl)c2Br)cc1C(C)C ZINC000409285195 1073361504 /nfs/dbraw/zinc/36/15/04/1073361504.db2.gz WPNGLXUDODEHMD-UHFFFAOYSA-N -1 0 705.005 8.088 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409284730 1073366126 /nfs/dbraw/zinc/36/61/26/1073366126.db2.gz VRTABNDGSYQBPA-FQEVSTJZSA-N -1 0 602.644 5.935 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)cc21 ZINC000409284311 1073371161 /nfs/dbraw/zinc/37/11/61/1073371161.db2.gz TZIAELRSLWXJAI-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc([N+](=O)[O-])c3O[C@@H](C)C(=O)[O-])cc21 ZINC000409283558 1073378636 /nfs/dbraw/zinc/37/86/36/1073378636.db2.gz RWTRHFBQSUQXKY-AWEZNQCLSA-N -1 0 562.922 5.114 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409283223 1073381599 /nfs/dbraw/zinc/38/15/99/1073381599.db2.gz OPXBKHRUUKIBQE-UHFFFAOYSA-N -1 0 664.148 6.406 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1O[C@H](C)C(=O)[O-] ZINC000409282496 1073389945 /nfs/dbraw/zinc/38/99/45/1073389945.db2.gz OVHOYOAOUFUMDM-OAHLLOKOSA-N -1 0 562.376 5.315 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2Br)cc1C(C)C ZINC000409282273 1073394110 /nfs/dbraw/zinc/39/41/10/1073394110.db2.gz PGLSFVORNMCPBC-UHFFFAOYSA-N -1 0 763.483 8.587 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)cc21 ZINC000409281847 1073395771 /nfs/dbraw/zinc/39/57/71/1073395771.db2.gz MGRQHLGLUBKQAH-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409281947 1073396882 /nfs/dbraw/zinc/39/68/82/1073396882.db2.gz NOUKHHIZNABPSB-CQSZACIVSA-N -1 0 689.744 7.121 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000100375739 193908816 /nfs/dbraw/zinc/90/88/16/193908816.db2.gz AWEARLODTLQZCC-UDWIEESQSA-N -1 0 595.480 5.283 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/S/C(=N\c4ccc(Br)cc4Cl)NC3=O)o2)c1 ZINC000100387719 193911758 /nfs/dbraw/zinc/91/17/58/193911758.db2.gz XRSNUWZDEHJTHA-GIJQJNRQSA-N -1 0 538.206 6.606 40 30 KKEBRM CCOc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)c1[O-] ZINC000408852186 195492566 /nfs/dbraw/zinc/49/25/66/195492566.db2.gz CXUPAJJQOGEXHT-TXOYAAFXSA-N -1 0 517.607 6.633 40 30 KKEBRM COc1ccc(C(NC(=O)C[C@@H](NOC(=O)CC2c3ccccc3-c3ccccc32)C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000071418200 291979875 /nfs/dbraw/zinc/97/98/75/291979875.db2.gz GUBHJFUYEOSKQG-SSEXGKCCSA-N -1 0 580.637 5.003 40 30 biogenic,in-vitro KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000000797804 551543212 /nfs/dbraw/zinc/54/32/12/551543212.db2.gz UFRANKPBRUAPAQ-DEOSSOPVSA-N -1 0 515.949 5.359 40 30 KKEBRM Cc1ccc2nc(-c3cc(/N=C/c4ccc(C(=O)Oc5cccc(Br)c5)cc4)ccc3[O-])oc2c1 ZINC000003139567 552294179 /nfs/dbraw/zinc/29/41/79/552294179.db2.gz TVADMIOBAYVCJB-OKCVXOCRSA-N -1 0 527.374 7.241 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000004777867 552481425 /nfs/dbraw/zinc/48/14/25/552481425.db2.gz FTQDJVZNPJRVPG-UGKQXEASSA-N -1 0 512.731 6.983 40 30 KKEBRM COc1ccc2cc(C(C)N=Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[N+](=O)[O-])ccc2c1 ZINC000005940046 552513355 /nfs/dbraw/zinc/51/33/55/552513355.db2.gz XLCSURKNPWIHNX-WPWMEQJKSA-N -1 0 520.567 5.402 40 30 KKEBRM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccco2)cc1OC ZINC000010343833 553335141 /nfs/dbraw/zinc/33/51/41/553335141.db2.gz HHQXDVRXHLJUKE-YRVHBCJASA-N -1 0 516.550 5.062 40 30 KKEBRM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 ZINC000013115377 553449037 /nfs/dbraw/zinc/44/90/37/553449037.db2.gz UEKTWKSHQFBSDO-KBKYJPHKSA-N -1 0 506.897 5.134 40 30 KKEBRM COc1ccc(Oc2ccc(C=NNc3c(Cl)c(Cl)nc(C(=O)[O-])c3Cl)cc2[N+](=O)[O-])cc1 ZINC000014360373 553513971 /nfs/dbraw/zinc/51/39/71/553513971.db2.gz PEUKDIUFMLVAPL-PGGKNCGUSA-N -1 0 511.705 5.895 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)cc1 ZINC000015229921 553529914 /nfs/dbraw/zinc/52/99/14/553529914.db2.gz OZWPVCXIPFFQIM-BKUYFWCQSA-N -1 0 509.381 5.618 40 30 KKEBRM O=C([O-])c1ccc(Cl)cc1NC=C(C(=O)c1cccc(C(F)(F)F)c1)c1nnnn1-c1ccccc1 ZINC000016523757 553566981 /nfs/dbraw/zinc/56/69/81/553566981.db2.gz URRZCESBZJGKGY-UYRXBGFRSA-N -1 0 513.863 5.369 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccc2OC(F)F)c(C)c1 ZINC000096399175 553753373 /nfs/dbraw/zinc/75/33/73/553753373.db2.gz QEEXETDQFGCWHJ-QQXSKIMKSA-N -1 0 504.515 5.450 40 30 KKEBRM C=CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027333007 553825490 /nfs/dbraw/zinc/82/54/90/553825490.db2.gz JKDXZLPXYYTPMX-QFIPXVFZSA-N -1 0 516.402 5.890 40 30 KKEBRM C=CCc1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 ZINC000033367120 553957613 /nfs/dbraw/zinc/95/76/13/553957613.db2.gz DMKOGJQUBGATRT-JWGURIENSA-N -1 0 519.985 5.773 40 30 KKEBRM Cc1cccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c1C ZINC000033568542 553962847 /nfs/dbraw/zinc/96/28/47/553962847.db2.gz HGFUESBBNHODPH-KBKYJPHKSA-N -1 0 503.906 5.431 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3\S/C(=N\C4CCCCC4)N(C4CCCCC4)C3=O)cc2)c1 ZINC000033738283 553971270 /nfs/dbraw/zinc/97/12/70/553971270.db2.gz YSEPMPPCEHNBDH-UQLAIIKNSA-N -1 0 518.679 6.902 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC ZINC000035657245 554062276 /nfs/dbraw/zinc/06/22/76/554062276.db2.gz PJNWIYIEYKBRJW-NVHABHRXSA-N -1 0 517.401 5.345 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000035656912 554062330 /nfs/dbraw/zinc/06/23/30/554062330.db2.gz UDMYEVXAHJZCHL-GSYGROADSA-N -1 0 513.575 5.468 40 30 KKEBRM C=C(C)[C@@H](CCC=C(C)C)[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(=C([O-])c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100017711 554181581 /nfs/dbraw/zinc/18/15/81/554181581.db2.gz GRBCIRZXESZBGJ-PWMSFCGJSA-N -1 0 602.812 8.915 40 30 in-vitro KKEBRM CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 ZINC000100022637 554182259 /nfs/dbraw/zinc/18/22/59/554182259.db2.gz NZPXPXAGXYTROM-FYBSXPHGSA-N -1 0 602.675 7.326 40 30 fda KKEBRM O=C(C=C([O-])c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100034247 554187694 /nfs/dbraw/zinc/18/76/94/554187694.db2.gz BMPCOBJGKAQEOM-UHFFFAOYSA-N -1 0 566.207 6.838 40 30 KKEBRM Cc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000100236237 554258335 /nfs/dbraw/zinc/25/83/35/554258335.db2.gz BDAURYUVJOWYCI-PEJTXYKLSA-N -1 0 586.511 7.359 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C\c3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)S/C2=N\c2ccccc2)cc1 ZINC000100236503 554258585 /nfs/dbraw/zinc/25/85/85/554258585.db2.gz KDPXCOIFLBNQNS-RACKAPSESA-N -1 0 573.674 7.201 40 30 KKEBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[N-]C2=S)c1 ZINC000100247906 554261730 /nfs/dbraw/zinc/26/17/30/554261730.db2.gz XPYJSTDNTVQBEV-WSDLNYQXSA-N -1 0 562.445 5.130 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1[O-] ZINC000100300291 554290891 /nfs/dbraw/zinc/29/08/91/554290891.db2.gz IJAABKUEAUGSLS-JJKQSNDFSA-N -1 0 554.336 8.035 40 30 KKEBRM C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000100320606 554304875 /nfs/dbraw/zinc/30/48/75/554304875.db2.gz DLKKEVWATQDAJY-WYMPLXKRSA-N -1 0 591.502 6.157 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100328892 554311011 /nfs/dbraw/zinc/31/10/11/554311011.db2.gz HPOHKGREBAHZOG-UZQHEVSMSA-N -1 0 571.655 5.884 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4c(Cl)cc(Cl)cc4Cl)c3=O)n2)cc1 ZINC000100341375 554325755 /nfs/dbraw/zinc/32/57/55/554325755.db2.gz RMWOKNCIRDSKIY-SXBRIOAWSA-N -1 0 556.862 6.998 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059136341 554382359 /nfs/dbraw/zinc/38/23/59/554382359.db2.gz JUPWCTFNAKHJOO-RCCKNPSSSA-N -1 0 517.538 5.713 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000059136381 554382585 /nfs/dbraw/zinc/38/25/85/554382585.db2.gz UFDGYEDATQJXSS-KGENOOAVSA-N -1 0 520.557 5.953 40 30 KKEBRM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100455900 554396237 /nfs/dbraw/zinc/39/62/37/554396237.db2.gz NUAXXSCGZYWCIC-TVNBHEQGSA-N -1 0 530.241 6.726 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2s1)c1ccc(F)cc1 ZINC000100457528 554396957 /nfs/dbraw/zinc/39/69/57/554396957.db2.gz CYAFCYOYIORHJL-NSKAYECMSA-N -1 0 580.298 7.392 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)Nc1ccccc1C(F)(F)F ZINC000100457578 554396989 /nfs/dbraw/zinc/39/69/89/554396989.db2.gz XCZKIEKOIZZLHI-VYVUJPJFSA-N -1 0 556.418 7.809 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 ZINC000100460281 554397554 /nfs/dbraw/zinc/39/75/54/554397554.db2.gz YQUQXCAHBKYXRD-JQAMDZJQSA-N -1 0 514.286 8.658 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000100460285 554397592 /nfs/dbraw/zinc/39/75/92/554397592.db2.gz VXAQUZGPXTVVPB-XKJRVUDJSA-N -1 0 513.446 8.644 40 30 KKEBRM C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000100495000 554403861 /nfs/dbraw/zinc/40/38/61/554403861.db2.gz UMJXKELDYMYFOE-UHFFFAOYSA-N -1 0 593.583 6.282 40 30 KKEBRM C=C(CC(=O)[O-])C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100501821 554406070 /nfs/dbraw/zinc/40/60/70/554406070.db2.gz FKQDAXYBHHSXDH-UHFFFAOYSA-N -1 0 548.145 5.527 40 30 KKEBRM Cc1cc2nc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3)oc2c(C)c1 ZINC000100524118 554409585 /nfs/dbraw/zinc/40/95/85/554409585.db2.gz QZGJBLOWSCDOLO-OPEKNORGSA-N -1 0 594.190 6.777 40 30 KKEBRM COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)[N-]C5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690870 554424983 /nfs/dbraw/zinc/42/49/83/554424983.db2.gz NAXBQOBKRFCYKY-KQXWZCLKSA-N -1 0 640.887 7.602 40 30 KKEBRM O=C([O-])[C@H](CS)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1c2ccccc2Oc2ccccc21 ZINC000064219249 554510868 /nfs/dbraw/zinc/51/08/68/554510868.db2.gz OQCOECXEJQAQRG-SANMLTNESA-N -1 0 523.610 6.516 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100927156 554524740 /nfs/dbraw/zinc/52/47/40/554524740.db2.gz SHGPRJONGJIZIJ-FWGBRMSSSA-N -1 0 557.455 6.903 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100928079 554525337 /nfs/dbraw/zinc/52/53/37/554525337.db2.gz LGCNPCCPRAVWOL-SILRWXEESA-N -1 0 541.398 6.099 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC ZINC000100931214 554527590 /nfs/dbraw/zinc/52/75/90/554527590.db2.gz VJAQMKJPDODHGD-JEPJVFCJSA-N -1 0 564.401 5.187 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000100931264 554527630 /nfs/dbraw/zinc/52/76/30/554527630.db2.gz ZRCMFVZNGXDDQT-KOAGXIKISA-N -1 0 567.461 6.359 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938132 554531377 /nfs/dbraw/zinc/53/13/77/554531377.db2.gz QFMMUOOEPVCHRT-XXCIOWNUSA-N -1 0 503.967 5.723 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccccc1 ZINC000100938317 554531636 /nfs/dbraw/zinc/53/16/36/554531636.db2.gz GCHBCHHOUCFPHM-IVRRFPEOSA-N -1 0 567.461 6.359 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000100939267 554531918 /nfs/dbraw/zinc/53/19/18/554531918.db2.gz JAWCOZWJBGTVHZ-XSOFJNDSSA-N -1 0 578.444 5.840 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000100953498 554538029 /nfs/dbraw/zinc/53/80/29/554538029.db2.gz XFVXSKSZWRHOIJ-LTYQLTAZSA-N -1 0 540.019 8.617 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000100953500 554538072 /nfs/dbraw/zinc/53/80/72/554538072.db2.gz XFVXSKSZWRHOIJ-PELXQUCJSA-N -1 0 540.019 8.617 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000100953496 554538135 /nfs/dbraw/zinc/53/81/35/554538135.db2.gz XFVXSKSZWRHOIJ-QDZIBEGDSA-N -1 0 540.019 8.617 40 30 KKEBRM Cc1c(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])cccc1-c1nc2cc(Cl)ccc2o1 ZINC000100958273 554541178 /nfs/dbraw/zinc/54/11/78/554541178.db2.gz QRIMTGYKIBGYAJ-IBBHUPRXSA-N -1 0 532.383 8.065 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OCC ZINC000101014755 554559022 /nfs/dbraw/zinc/55/90/22/554559022.db2.gz ASNOHRBDNJVLRR-POQGPQTDSA-N -1 0 527.708 6.852 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC ZINC000101014902 554559086 /nfs/dbraw/zinc/55/90/86/554559086.db2.gz BPIWNGBMNKYYOG-IPCAQAEESA-N -1 0 507.718 6.669 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1OC ZINC000101014988 554559388 /nfs/dbraw/zinc/55/93/88/554559388.db2.gz COXZKOOGKBQRHB-RSIGQYBISA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1OCC ZINC000101015205 554559723 /nfs/dbraw/zinc/55/97/23/554559723.db2.gz MCBFUVSVVPZRNA-MWEHQZMZSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1OCC ZINC000101015260 554559766 /nfs/dbraw/zinc/55/97/66/554559766.db2.gz CDWMJEPHVPCEIY-DCTSRSSSSA-N -1 0 541.735 7.240 40 30 KKEBRM C=CCc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C(=O)OCC)CCN(Cc2ccccc2)C3)c1[O-] ZINC000101206675 554676429 /nfs/dbraw/zinc/67/64/29/554676429.db2.gz PFYMPXPHFLMRNK-MBTHVWNTSA-N -1 0 505.596 5.576 40 30 KKEBRM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000101432543 554771031 /nfs/dbraw/zinc/77/10/31/554771031.db2.gz BXOPNGFOBBGGCU-UQRQXUALSA-N -1 0 534.428 6.539 40 30 KKEBRM CCCOc1c(Br)cc(Br)cc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)NC1=O ZINC000101524648 554794319 /nfs/dbraw/zinc/79/43/19/554794319.db2.gz SMJLUHBQFHQVEP-SXGWCWSVSA-N -1 0 540.233 5.590 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000102625993 554987900 /nfs/dbraw/zinc/98/79/00/554987900.db2.gz WARFPYLTJYTHME-XMMPIXPASA-N -1 0 611.120 6.480 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000102926222 555150712 /nfs/dbraw/zinc/15/07/12/555150712.db2.gz AGURGOLOJUIYBC-YPRVEJFFSA-N -1 0 586.533 6.191 40 30 KKEBRM CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000102983345 555189250 /nfs/dbraw/zinc/18/92/50/555189250.db2.gz PKUIJOONGSOFID-TWKHWXDSSA-N -1 0 559.648 5.877 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000102983974 555190015 /nfs/dbraw/zinc/19/00/15/555190015.db2.gz FSZZFRRDMHNUFF-OEAKJJBVSA-N -1 0 519.377 5.003 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000103757068 555469893 /nfs/dbraw/zinc/46/98/93/555469893.db2.gz YDAQHMJJLAJWEZ-ASFRMHBNSA-N -1 0 553.066 6.966 40 30 KKEBRM O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000103778998 555476096 /nfs/dbraw/zinc/47/60/96/555476096.db2.gz RAIDONBIJOGJCC-XGICHPGQSA-N -1 0 523.033 6.116 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103795588 555481796 /nfs/dbraw/zinc/48/17/96/555481796.db2.gz UYPYMVYRCJHCJZ-JJFYIABZSA-N -1 0 529.401 6.171 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103841947 571362361 /nfs/dbraw/zinc/36/23/61/571362361.db2.gz PNFLDBHALWFQGZ-PCLIKHOPSA-N -1 0 619.512 6.529 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000103843309 571362634 /nfs/dbraw/zinc/36/26/34/571362634.db2.gz KIQBGDYKBIZSGW-SRZZPIQSSA-N -1 0 579.378 5.291 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000103845985 571363336 /nfs/dbraw/zinc/36/33/36/571363336.db2.gz SFIMNUFUPLRUKK-YABUFAANSA-N -1 0 597.136 8.551 40 30 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585.484 6.670 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000103859536 571367285 /nfs/dbraw/zinc/36/72/85/571367285.db2.gz CPTVKVFCQHQEFE-MFKUBSTISA-N -1 0 586.442 5.693 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000103859914 571367435 /nfs/dbraw/zinc/36/74/35/571367435.db2.gz DKDNKIYRGHWTCT-AUWJEWJLSA-N -1 0 585.046 5.205 40 30 KKEBRM O=[N+]([O-])C(N=Nc1ccc2ccccc2c1Br)=N[N-]c1ccc2ccccc2c1Br ZINC000104111238 571374107 /nfs/dbraw/zinc/37/41/07/571374107.db2.gz GJLRXYHFORZDMP-IEBJKEOESA-N -1 0 527.176 7.262 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2ccc(/N=C\c3c4ccccc4nc4cc(Cl)ccc34)cc2)nn1 ZINC000104268889 571378106 /nfs/dbraw/zinc/37/81/06/571378106.db2.gz DHCJMPOIMWQZIU-DICXZTSXSA-N -1 0 503.971 5.391 40 30 KKEBRM CCOc1ccc2nc(NC(=O)/C(CC(=O)C[C@@H](c3ccccc3)C3C(=O)Cc4ccccc4C3=O)=N/[O-])sc2c1 ZINC000104297752 571378642 /nfs/dbraw/zinc/37/86/42/571378642.db2.gz LKCZJXYPGIUBTK-NLVGYVKJSA-N -1 0 569.639 5.691 40 30 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CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)[N-]C6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000157544541 571529752 /nfs/dbraw/zinc/52/97/52/571529752.db2.gz WJRJONZDINDKQJ-XBVOEXRNSA-N -1 0 695.967 7.288 40 30 KKEBRM CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C/C=C/C=C/C=C/C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C ZINC000162498204 571532394 /nfs/dbraw/zinc/53/23/94/571532394.db2.gz ROGODJHHEBREAB-UHFFFAOYSA-O -1 0 780.942 6.094 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000163525938 571536229 /nfs/dbraw/zinc/53/62/29/571536229.db2.gz LUNCXGOCOHOXNU-FKULMYBFSA-N -1 0 679.330 6.573 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000163527703 571536505 /nfs/dbraw/zinc/53/65/05/571536505.db2.gz AMCDPQGYLHFPKC-DIENZIEHSA-N -1 0 667.294 6.704 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)OCC ZINC000164309081 571545284 /nfs/dbraw/zinc/54/52/84/571545284.db2.gz CWMBOCCEVITLCF-MZJWZYIUSA-N -1 0 647.566 6.254 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000164307511 571545337 /nfs/dbraw/zinc/54/53/37/571545337.db2.gz VOWNTKXXFMVIOS-AMVVHIIESA-N -1 0 727.599 7.275 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000164351230 571546281 /nfs/dbraw/zinc/54/62/81/571546281.db2.gz XGJISZIQLWSSKZ-FDALDRLYSA-N -1 0 666.818 8.680 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164462711 571548372 /nfs/dbraw/zinc/54/83/72/571548372.db2.gz ORPNBEYGLVRHRB-ZHSUKTGHSA-N -1 0 750.703 8.739 40 30 KKEBRM CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3s2)cc1 ZINC000164465261 571548376 /nfs/dbraw/zinc/54/83/76/571548376.db2.gz KLTOGPXYXPIPDE-KVSWJAHQSA-N -1 0 713.404 7.816 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3ccc([O-])c([N+](=O)[O-])c3)cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164462183 571548451 /nfs/dbraw/zinc/54/84/51/571548451.db2.gz NFPLADWLYQAUCK-ZHSUKTGHSA-N -1 0 750.703 8.739 40 30 KKEBRM CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)cc1 ZINC000164467568 571548551 /nfs/dbraw/zinc/54/85/51/571548551.db2.gz MRGYQSVJCWGMMF-HPNXWYHWSA-N -1 0 702.622 12.033 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000164471892 571548574 /nfs/dbraw/zinc/54/85/74/571548574.db2.gz IAMNWPOMENWNFD-YDZHTSKRSA-N -1 0 630.322 7.129 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000164471607 571548644 /nfs/dbraw/zinc/54/86/44/571548644.db2.gz IZCCEJVMDHYIGU-OEAKJJBVSA-N -1 0 673.301 6.036 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000164705247 571550559 /nfs/dbraw/zinc/55/05/59/571550559.db2.gz GTRPLEYEACMBAC-KIBLKLHPSA-N -1 0 622.320 6.917 40 30 KKEBRM CCCN(CCC)N=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263604132 572129330 /nfs/dbraw/zinc/12/93/30/572129330.db2.gz OHZIICRATCCRFN-CCQNTPCYSA-N -1 0 823.981 6.210 40 30 KKEBRM CCCCCON=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603844 572129433 /nfs/dbraw/zinc/12/94/33/572129433.db2.gz NZLFPVCWUJGSPW-LBCIWURBSA-N -1 0 810.938 6.295 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408532854 572181034 /nfs/dbraw/zinc/18/10/34/572181034.db2.gz WJGYILQHQUVNEF-OPUGFCLASA-N -1 0 622.324 7.427 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408533115 572182185 /nfs/dbraw/zinc/18/21/85/572182185.db2.gz WZWLDAONRUTHHK-QIBWZKJESA-N -1 0 605.499 8.088 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408533805 572184379 /nfs/dbraw/zinc/18/43/79/572184379.db2.gz SFKUZROLLVAWSA-KTAJVBQSSA-N -1 0 516.362 6.424 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000408533876 572184939 /nfs/dbraw/zinc/18/49/39/572184939.db2.gz STWOYURLMJKQQJ-GWISFZTMSA-N -1 0 537.435 6.338 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408535235 572188225 /nfs/dbraw/zinc/18/82/25/572188225.db2.gz YMGHDLNUFMCWTK-UCQKPKSFSA-N -1 0 567.461 6.325 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408538218 572197437 /nfs/dbraw/zinc/19/74/37/572197437.db2.gz KHVUPXPCSWHORZ-LTGZKZEYSA-N -1 0 529.431 5.863 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408538449 572197947 /nfs/dbraw/zinc/19/79/47/572197947.db2.gz NADFAISPSNHPJV-XSFVSMFZSA-N -1 0 502.970 5.893 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408538577 572198613 /nfs/dbraw/zinc/19/86/13/572198613.db2.gz OWISOLARKHEVOH-JWGURIENSA-N -1 0 557.043 5.931 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000408538474 572198760 /nfs/dbraw/zinc/19/87/60/572198760.db2.gz NLKJTHCKSWMJOH-CJLVFECKSA-N -1 0 529.033 6.153 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000408538693 572199078 /nfs/dbraw/zinc/19/90/78/572199078.db2.gz PEHGDWXYKLMVLT-UYRXBGFRSA-N -1 0 623.298 6.526 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408539361 572202026 /nfs/dbraw/zinc/20/20/26/572202026.db2.gz VXTJKNJHPPEVOH-JWGURIENSA-N -1 0 601.494 6.040 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408540026 572204161 /nfs/dbraw/zinc/20/41/61/572204161.db2.gz LXYQRVKYDZPZNR-LYBHJNIJSA-N -1 0 552.668 6.288 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408540305 572204997 /nfs/dbraw/zinc/20/49/97/572204997.db2.gz PUVMOPMGFGTAIT-LYBHJNIJSA-N -1 0 601.538 7.042 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)SC1=Nc1ccccc1 ZINC000408543322 572212078 /nfs/dbraw/zinc/21/20/78/572212078.db2.gz QFYFVGQVUYRNMK-NLIPKUAKSA-N -1 0 501.564 5.231 40 30 KKEBRM COc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543200 572212326 /nfs/dbraw/zinc/21/23/26/572212326.db2.gz NKZHXKNPNYNQDG-OCSSWDANSA-N -1 0 506.986 6.003 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(Cc4cccnc4)C3=O)c3ccccc32)o1 ZINC000408544446 572215922 /nfs/dbraw/zinc/21/59/22/572215922.db2.gz TZASQPYYVLYWBX-FUKVRZBOSA-N -1 0 534.597 6.180 40 30 KKEBRM COc1cc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544893 572216842 /nfs/dbraw/zinc/21/68/42/572216842.db2.gz VWJZAHLSPIOUTE-LQNQUEJISA-N -1 0 506.986 6.003 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc(OC)cc(Br)c3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408589125 572267073 /nfs/dbraw/zinc/26/70/73/572267073.db2.gz KQWGLSULYVXWMC-FJEPWZHXSA-N -1 0 533.378 6.730 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000408630807 572286546 /nfs/dbraw/zinc/28/65/46/572286546.db2.gz CVBXDVMKBLTECJ-ROTLSHHCSA-N -1 0 542.020 6.226 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccccc2OCc2ccccc2C#N)C(=O)[O-])n[nH]1 ZINC000408630873 572286740 /nfs/dbraw/zinc/28/67/40/572286740.db2.gz DKBADJWSQJDOFY-FMCGGJTJSA-N -1 0 518.982 5.802 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(-c3ccccc3C#N)o2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631006 572286819 /nfs/dbraw/zinc/28/68/19/572286819.db2.gz BOZNTDQSLVJKHE-UCQKPKSFSA-N -1 0 502.552 5.332 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OCc3ccc(C#N)cc3)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000408630939 572286869 /nfs/dbraw/zinc/28/68/69/572286869.db2.gz DUMQZGBEBUVQTI-KSEXSDGBSA-N -1 0 597.878 6.565 40 30 KKEBRM N#Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)[O-])cc2Br)cc1 ZINC000408631994 572288339 /nfs/dbraw/zinc/28/83/39/572288339.db2.gz CGGGDRZCBHFBNQ-UUYOSTAYSA-N -1 0 507.365 6.259 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1OCC ZINC000408632240 572288607 /nfs/dbraw/zinc/28/86/07/572288607.db2.gz ICJSVMDUXLKMRN-UUYOSTAYSA-N -1 0 544.029 5.264 40 30 KKEBRM C=CCOc1c(Br)cc(C=C(Sc2n[nH]c(CCC)n2)C(=O)[O-])cc1Br ZINC000408632446 572288838 /nfs/dbraw/zinc/28/88/38/572288838.db2.gz QCPDPRVWZJDCQB-LCYFTJDESA-N -1 0 503.216 5.065 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OCC ZINC000408632806 572289250 /nfs/dbraw/zinc/28/92/50/572289250.db2.gz KOKNAWKDBZUETD-ODLFYWEKSA-N -1 0 521.378 5.681 40 30 KKEBRM C=CCOc1c(I)cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1I ZINC000408633939 572290849 /nfs/dbraw/zinc/29/08/49/572290849.db2.gz NXJXFOGXBPWIFK-YBEGLDIGSA-N -1 0 604.207 5.555 40 30 KKEBRM C=CCOc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1Br ZINC000408634358 572291342 /nfs/dbraw/zinc/29/13/42/572291342.db2.gz UTEYTOKIFWNJPK-OCKHKDLRSA-N -1 0 519.373 5.299 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)C(=O)[O-])o1 ZINC000408634682 572291723 /nfs/dbraw/zinc/29/17/23/572291723.db2.gz WKZSDRWNKNPGBQ-KSEXSDGBSA-N -1 0 598.862 6.830 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])o1 ZINC000408634947 572292059 /nfs/dbraw/zinc/29/20/59/572292059.db2.gz YEYPYQSWFVFNQX-FMCGGJTJSA-N -1 0 519.966 6.067 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408908130 1069753566 /nfs/dbraw/zinc/75/35/66/1069753566.db2.gz BBTRUXTVXFMTHZ-KZINRLMESA-N -1 0 594.471 5.722 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408983703 1069767602 /nfs/dbraw/zinc/76/76/02/1069767602.db2.gz NOGAKALNTUILAA-FBHDLOMBSA-N -1 0 634.741 7.692 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409087563 1069770998 /nfs/dbraw/zinc/77/09/98/1069770998.db2.gz BSOVOJYIVAGDNT-PXAWYTRESA-N -1 0 682.025 9.748 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409088748 1069773589 /nfs/dbraw/zinc/77/35/89/1069773589.db2.gz XYORADGFJAEZCD-XICVZUFPSA-N -1 0 575.130 8.822 40 30 KKEBRM Cc1cccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)c1C ZINC000409211692 1069800676 /nfs/dbraw/zinc/80/06/76/1069800676.db2.gz MTKARHKYTKMTDN-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1CC=C ZINC000408784417 1069911481 /nfs/dbraw/zinc/91/14/81/1069911481.db2.gz BSANTDJKXYZPJW-LDADJPATSA-N -1 0 501.764 5.062 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408786844 1069922255 /nfs/dbraw/zinc/92/22/55/1069922255.db2.gz ONKWKOFGOMHQTB-RDRPBHBLSA-N -1 0 546.623 6.439 40 30 KKEBRM Cc1cccc(COc2c(Cl)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2Cl)c1 ZINC000408793687 1069925778 /nfs/dbraw/zinc/92/57/78/1069925778.db2.gz FXNUEGQQUWJTAI-GXMXPRDMSA-N -1 0 527.429 6.813 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408795497 1069927954 /nfs/dbraw/zinc/92/79/54/1069927954.db2.gz VOMXIENEILKYIN-HOUKBVNESA-N -1 0 513.402 6.504 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408796452 1069929519 /nfs/dbraw/zinc/92/95/19/1069929519.db2.gz OHJKHYCSJYKCAE-JSAVDGADSA-N -1 0 636.351 7.666 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408797623 1069932338 /nfs/dbraw/zinc/93/23/38/1069932338.db2.gz SHRHADWKOIARRK-RJRBAZHUSA-N -1 0 524.440 6.097 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408817719 1069975370 /nfs/dbraw/zinc/97/53/70/1069975370.db2.gz YHKZCWQODDEKAS-NKVSQWTQSA-N -1 0 563.846 6.824 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1Br ZINC000408825806 1070013863 /nfs/dbraw/zinc/01/38/63/1070013863.db2.gz JMBYIFDSFDLMHD-HZHRSRAPSA-N -1 0 545.389 5.015 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OC ZINC000408830473 1070017803 /nfs/dbraw/zinc/01/78/03/1070017803.db2.gz POWTVHOHGMCWPI-LPYMAVHISA-N -1 0 595.833 5.369 40 30 KKEBRM C=CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408836575 1070027708 /nfs/dbraw/zinc/02/77/08/1070027708.db2.gz SQSOHIUZSMXDCV-LPYMAVHISA-N -1 0 602.268 6.566 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408833592 1070031548 /nfs/dbraw/zinc/03/15/48/1070031548.db2.gz TUWKURZALLUGRO-OEAKJJBVSA-N -1 0 654.311 5.868 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408846990 1070055121 /nfs/dbraw/zinc/05/51/21/1070055121.db2.gz OOFCDNGXDXIZMY-WCMJOSRZSA-N -1 0 685.648 8.834 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408849405 1070062582 /nfs/dbraw/zinc/06/25/82/1070062582.db2.gz WNSVEADVPNVBGT-FPCRXHDPSA-N -1 0 732.640 8.901 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408856911 1070067632 /nfs/dbraw/zinc/06/76/32/1070067632.db2.gz MFJSTXXDBDRUJG-ZBKNUEDVSA-N -1 0 565.276 6.753 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408859840 1070076586 /nfs/dbraw/zinc/07/65/86/1070076586.db2.gz ZUHPQDPLKMIMMG-ZVHZXABRSA-N -1 0 535.427 6.584 40 30 KKEBRM COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S1 ZINC000408861795 1070078178 /nfs/dbraw/zinc/07/81/78/1070078178.db2.gz DCZSJGZWEQFZCI-RZNTYIFUSA-N -1 0 518.614 5.471 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408876538 1070110464 /nfs/dbraw/zinc/11/04/64/1070110464.db2.gz LZFQBOUKJHNXBM-MFOYZWKCSA-N -1 0 525.808 5.165 40 30 KKEBRM COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408912660 1070191045 /nfs/dbraw/zinc/19/10/45/1070191045.db2.gz RLIYRFIHKKNCIG-UHFFFAOYSA-N -1 0 540.309 5.040 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408908595 1070195030 /nfs/dbraw/zinc/19/50/30/1070195030.db2.gz AONVACPUUMXWQY-PKNUDXBSSA-N -1 0 628.488 5.918 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408911950 1070205528 /nfs/dbraw/zinc/20/55/28/1070205528.db2.gz PCPUBPYMQKYJMN-GQKMNLJRSA-N -1 0 580.444 5.340 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000408917535 1070208718 /nfs/dbraw/zinc/20/87/18/1070208718.db2.gz WOFWWGBMJAMHIE-GVMIDXADSA-N -1 0 578.093 7.845 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N1C1CCCCC1 ZINC000408915087 1070215409 /nfs/dbraw/zinc/21/54/09/1070215409.db2.gz WYUYHWGIHUWFGP-BKMCGOQMSA-N -1 0 535.065 7.797 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408916254 1070219457 /nfs/dbraw/zinc/21/94/57/1070219457.db2.gz AHYOGZJZLLGYLP-ZUZCJLRWSA-N -1 0 600.696 7.930 40 30 KKEBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(OC)cc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1 ZINC000408931739 1070244734 /nfs/dbraw/zinc/24/47/34/1070244734.db2.gz POXAJFISCNVBBI-SOLNTCGZSA-N -1 0 595.677 6.392 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)S/C1=N\c1ccccc1 ZINC000408931873 1070245242 /nfs/dbraw/zinc/24/52/42/1070245242.db2.gz RKMPDSNLZAHCLL-FUFLFDLESA-N -1 0 584.286 5.316 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])S/C1=N/c1ccccc1 ZINC000408929720 1070257352 /nfs/dbraw/zinc/25/73/52/1070257352.db2.gz NAFFJZFHCREHRD-LEGQPGDASA-N -1 0 631.286 5.158 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930937 1070261716 /nfs/dbraw/zinc/26/17/16/1070261716.db2.gz FBVRXZIIAYORAL-ZLPQIYIZSA-N -1 0 512.509 6.216 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccccc4)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933991 1070268057 /nfs/dbraw/zinc/26/80/57/1070268057.db2.gz KQLBJNXCUKLVQO-VFHDLGNDSA-N -1 0 520.610 6.865 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935177 1070272241 /nfs/dbraw/zinc/27/22/41/1070272241.db2.gz MVBYTBYZVOGHIJ-HXOXSGNQSA-N -1 0 708.428 8.302 40 30 KKEBRM O=C1/C(=C/c2cc(Cl)c([O-])c(Br)c2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408935217 1070272266 /nfs/dbraw/zinc/27/22/66/1070272266.db2.gz MZVRDBTVCQBZFJ-OZOPNLFCSA-N -1 0 597.878 7.044 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408936148 1070275486 /nfs/dbraw/zinc/27/54/86/1070275486.db2.gz OMRAGQCQULNYNT-MLYXKJEJSA-N -1 0 640.770 8.229 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)cc(OC)c3O)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932086 1070279037 /nfs/dbraw/zinc/27/90/37/1070279037.db2.gz SXSCXYNEDXHAOW-KDIOOBPASA-N -1 0 524.982 5.565 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408940687 1070287021 /nfs/dbraw/zinc/28/70/21/1070287021.db2.gz VHOLGHFKMQTZMU-KVWJMGJNSA-N -1 0 624.513 6.106 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408937902 1070293524 /nfs/dbraw/zinc/29/35/24/1070293524.db2.gz RCGWGTIPBBUGHK-JPXSOPBJSA-N -1 0 648.781 8.212 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408943783 1070305296 /nfs/dbraw/zinc/30/52/96/1070305296.db2.gz YWPXDUXYZNICJW-QHMIWGDOSA-N -1 0 647.124 7.968 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)S2)cc1 ZINC000408952207 1070311827 /nfs/dbraw/zinc/31/18/27/1070311827.db2.gz LKIGEMNVQBDXBY-LPYMAVHISA-N -1 0 543.428 6.561 40 30 KKEBRM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000408956961 1070324266 /nfs/dbraw/zinc/32/42/66/1070324266.db2.gz RXJUOMCTJGTFBN-GDGOIAAYSA-N -1 0 776.435 5.009 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408961478 1070327074 /nfs/dbraw/zinc/32/70/74/1070327074.db2.gz MOICRDMXKFXTQH-LPYMAVHISA-N -1 0 553.434 5.935 40 30 KKEBRM CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1C ZINC000408967612 1070332492 /nfs/dbraw/zinc/33/24/92/1070332492.db2.gz RGIJSKDSFYDPCN-BTFHXEKZSA-N -1 0 535.669 7.159 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(OC)cc1 ZINC000408967870 1070333216 /nfs/dbraw/zinc/33/32/16/1070333216.db2.gz VLWPGASNSIPBFH-CJUPBPKFSA-N -1 0 518.591 5.605 40 30 KKEBRM CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(=O)[O-] ZINC000408971353 1070335695 /nfs/dbraw/zinc/33/56/95/1070335695.db2.gz IQJPDXWOKMKAHJ-STBIYBPSSA-N -1 0 506.624 6.272 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408976998 1070337517 /nfs/dbraw/zinc/33/75/17/1070337517.db2.gz HNWUNCKMIYMLGA-BRJLIKDPSA-N -1 0 567.290 7.681 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408984946 1070345053 /nfs/dbraw/zinc/34/50/53/1070345053.db2.gz UOOHSTLHGIBUBH-UQQQWYQISA-N -1 0 500.982 5.876 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408993248 1070354494 /nfs/dbraw/zinc/35/44/94/1070354494.db2.gz VYEGVFRGROVNAV-MYYYXRDXSA-N -1 0 570.443 5.857 40 30 KKEBRM CC/N=C1\S/C(=C\c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)N1CC ZINC000409001429 1070377067 /nfs/dbraw/zinc/37/70/67/1070377067.db2.gz PTFXTDYRQHFXDG-CGZJZCCVSA-N -1 0 662.287 5.485 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409006223 1070382060 /nfs/dbraw/zinc/38/20/60/1070382060.db2.gz ZBVVXOOGDHVUSI-RKQZOCRXSA-N -1 0 552.233 6.948 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409043600 1070449461 /nfs/dbraw/zinc/44/94/61/1070449461.db2.gz RXSWQJGYJHMRGE-OVCLIPMQSA-N -1 0 554.622 5.405 40 30 KKEBRM CCCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409044769 1070452317 /nfs/dbraw/zinc/45/23/17/1070452317.db2.gz DETVSHOZSZLWKM-UHFFFAOYSA-N -1 0 534.480 6.552 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409046174 1070455183 /nfs/dbraw/zinc/45/51/83/1070455183.db2.gz JGHMVOHZCOGTRW-UHFFFAOYSA-N -1 0 716.423 7.469 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OC(C)C)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409060053 1070472814 /nfs/dbraw/zinc/47/28/14/1070472814.db2.gz RXBMBBTUTNDOGZ-LTMWAVIFSA-N -1 0 566.417 5.409 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OC(C)C ZINC000409059613 1070472271 /nfs/dbraw/zinc/47/22/71/1070472271.db2.gz SMPAEIVQXYRUAP-NVHABHRXSA-N -1 0 519.417 5.567 40 30 KKEBRM C#CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409064459 1070480194 /nfs/dbraw/zinc/48/01/94/1070480194.db2.gz HELWBCJYYDJYHG-UHFFFAOYSA-N -1 0 510.030 5.512 40 30 KKEBRM CCCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409065359 1070481817 /nfs/dbraw/zinc/48/18/17/1070481817.db2.gz KYSCGOYGWLIRJD-UHFFFAOYSA-N -1 0 581.301 5.889 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409067450 1070483980 /nfs/dbraw/zinc/48/39/80/1070483980.db2.gz QVWSCFCMJOUBSC-UHFFFAOYSA-N -1 0 634.932 5.758 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccccc3Cl)c(Br)c2)C2=C1CCCC2=O ZINC000409068984 1070485961 /nfs/dbraw/zinc/48/59/61/1070485961.db2.gz TZNGKZXKEHZHDN-UHFFFAOYSA-N -1 0 584.894 6.570 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409069021 1070485977 /nfs/dbraw/zinc/48/59/77/1070485977.db2.gz UGAKSRNFYNANDS-UHFFFAOYSA-N -1 0 625.806 7.862 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2Br)cc1 ZINC000409068813 1070486042 /nfs/dbraw/zinc/48/60/42/1070486042.db2.gz IRZNBDWAYAIVNE-UHFFFAOYSA-N -1 0 693.410 6.176 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccccc2Cl)C2=C1CCCC2=O ZINC000409069012 1070486130 /nfs/dbraw/zinc/48/61/30/1070486130.db2.gz VHGFEPMGMGNOGV-UHFFFAOYSA-N -1 0 584.894 6.570 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409074737 1070487565 /nfs/dbraw/zinc/48/75/65/1070487565.db2.gz REGGIZZLSNYFQB-CIAFOILYSA-N -1 0 616.295 6.738 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccc(F)cc1 ZINC000409074972 1070487613 /nfs/dbraw/zinc/48/76/13/1070487613.db2.gz VYACMGPYVUSOSV-UHFFFAOYSA-N -1 0 545.651 6.565 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409069652 1070494696 /nfs/dbraw/zinc/49/46/96/1070494696.db2.gz WPWDZHQHWILMQX-UHFFFAOYSA-N -1 0 719.898 8.604 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069975 1070495714 /nfs/dbraw/zinc/49/57/14/1070495714.db2.gz BUWDFZYZYDDHNT-UHFFFAOYSA-N -1 0 650.212 7.738 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409072951 1070499223 /nfs/dbraw/zinc/49/92/23/1070499223.db2.gz OBJLZOWVEUJZRJ-VUTHCHCSSA-N -1 0 590.632 5.999 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)cc2Cl)cc1 ZINC000409079967 1070501580 /nfs/dbraw/zinc/50/15/80/1070501580.db2.gz COHCTUSIJXWDBK-DYJLSCTESA-N -1 0 603.527 7.943 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079382 1070515183 /nfs/dbraw/zinc/51/51/83/1070515183.db2.gz FPPKAGTWORKECI-UHFFFAOYSA-N -1 0 773.577 7.459 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCC(=O)[O-] ZINC000409200094 1070625869 /nfs/dbraw/zinc/62/58/69/1070625869.db2.gz GSDOUHOBEDQWKA-AFUMVMLFSA-N -1 0 517.319 5.696 40 30 KKEBRM CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)N1C(C)C ZINC000409200505 1070625890 /nfs/dbraw/zinc/62/58/90/1070625890.db2.gz HTKQUVGCHLFDIO-XDTDMHIPSA-N -1 0 517.445 5.815 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409241198 1070668639 /nfs/dbraw/zinc/66/86/39/1070668639.db2.gz RZWNTJDXNWNKPR-GYLBKSORSA-N -1 0 567.063 6.648 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277327 1070702290 /nfs/dbraw/zinc/70/22/90/1070702290.db2.gz ARCQCOIHQIAUOM-UHFFFAOYSA-N -1 0 618.528 6.743 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409279008 1070725849 /nfs/dbraw/zinc/72/58/49/1070725849.db2.gz HKTUHNWSIMFWAT-KRWDZBQOSA-N -1 0 602.441 6.043 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c3)cc21 ZINC000409280515 1070729016 /nfs/dbraw/zinc/72/90/16/1070729016.db2.gz LJGYHBCFVPTDBR-AWEZNQCLSA-N -1 0 641.272 6.077 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409284731 1070740554 /nfs/dbraw/zinc/74/05/54/1070740554.db2.gz VRTABNDGSYQBPA-HXUWFJFHSA-N -1 0 602.644 5.935 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1O[C@@H](C)C(=O)[O-] ZINC000409284857 1070740605 /nfs/dbraw/zinc/74/06/05/1070740605.db2.gz VLTTWURXLGCHBN-FQEVSTJZSA-N -1 0 543.620 5.637 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000409293748 1070748877 /nfs/dbraw/zinc/74/88/77/1070748877.db2.gz ZNWXTXHUQPJNFL-KRWDZBQOSA-N -1 0 569.415 6.363 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)cc1C(C)C ZINC000409288849 1070758584 /nfs/dbraw/zinc/75/85/84/1070758584.db2.gz JOUXYJWYKGNVSQ-UHFFFAOYSA-N -1 0 630.528 7.970 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Br)c1 ZINC000409294813 1070751377 /nfs/dbraw/zinc/75/13/77/1070751377.db2.gz PHZKOFAHNUFCRO-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)cc21 ZINC000409295046 1070751907 /nfs/dbraw/zinc/75/19/07/1070751907.db2.gz CWWFVPRRYJDSGO-UHFFFAOYSA-N -1 0 546.583 6.115 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409288931 1070759300 /nfs/dbraw/zinc/75/93/00/1070759300.db2.gz CVWFWWIZGRVAFZ-SFHVURJKSA-N -1 0 608.489 6.009 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409290456 1070762561 /nfs/dbraw/zinc/76/25/61/1070762561.db2.gz LVIMKDHTZCKWOO-UHFFFAOYSA-N -1 0 584.854 6.104 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409296669 1070767188 /nfs/dbraw/zinc/76/71/88/1070767188.db2.gz UTSQJQPOEZZFPR-UHFFFAOYSA-N -1 0 664.512 7.469 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409304837 1070798086 /nfs/dbraw/zinc/79/80/86/1070798086.db2.gz LGOWMHDCKXMMMZ-UHFFFAOYSA-N -1 0 669.444 6.648 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409306760 1070804041 /nfs/dbraw/zinc/80/40/41/1070804041.db2.gz RQHWSGRYDNYGEF-UHFFFAOYSA-N -1 0 662.278 5.494 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409322659 1070811559 /nfs/dbraw/zinc/81/15/59/1070811559.db2.gz LEUUHWJBXSAYKF-UHFFFAOYSA-N -1 0 633.724 6.687 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409316606 1070819739 /nfs/dbraw/zinc/81/97/39/1070819739.db2.gz YXCZNWKCDOSRMI-UHFFFAOYSA-N -1 0 772.175 6.480 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(Br)cc1 ZINC000409333871 1070839374 /nfs/dbraw/zinc/83/93/74/1070839374.db2.gz DWAXPXVLNMPPAZ-HGNZHNJISA-N -1 0 515.454 6.301 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408905913 1070897384 /nfs/dbraw/zinc/89/73/84/1070897384.db2.gz GHHQWXHUVMUVPA-NVHABHRXSA-N -1 0 519.417 5.244 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409401125 1070916331 /nfs/dbraw/zinc/91/63/31/1070916331.db2.gz CGXNHIHUFKLOJK-UHFFFAOYSA-N -1 0 559.622 6.350 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2Cc2ccccc2)cc1 ZINC000408909017 1070980019 /nfs/dbraw/zinc/98/00/19/1070980019.db2.gz BMEQSZMVWJOFDS-CIFGJUBISA-N -1 0 558.295 7.030 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408908289 1070985057 /nfs/dbraw/zinc/98/50/57/1070985057.db2.gz RGENHABADCSRTD-NVHABHRXSA-N -1 0 566.417 5.086 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408907716 1070989170 /nfs/dbraw/zinc/98/91/70/1070989170.db2.gz PAPIGDXOFAPMRK-KPKCGWESSA-N -1 0 533.444 5.552 40 30 KKEBRM CCOC(=O)COc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1I ZINC000408917090 1070994810 /nfs/dbraw/zinc/99/48/10/1070994810.db2.gz MIJDKXZKTDKJHZ-GOVOZOGTSA-N -1 0 768.367 6.340 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S/C2=N/c2ccccc2)cc1 ZINC000408916717 1070997312 /nfs/dbraw/zinc/99/73/12/1070997312.db2.gz GMGWPZBSMUJQCF-QXFAHMJFSA-N -1 0 512.612 6.933 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408916686 1070999709 /nfs/dbraw/zinc/99/97/09/1070999709.db2.gz GEVBGVORLMPLBY-YQXUQVIQSA-N -1 0 625.497 5.902 40 30 KKEBRM COc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408916298 1071001317 /nfs/dbraw/zinc/00/13/17/1071001317.db2.gz BIFIBLNLMZSVTR-RGYAJZRCSA-N -1 0 721.529 7.289 40 30 KKEBRM O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408916251 1071003110 /nfs/dbraw/zinc/00/31/10/1071003110.db2.gz AFAFFVLWYLOKMS-MBCVIIHWSA-N -1 0 500.330 5.460 40 30 KKEBRM CC[C@H](C)N1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408912616 1071021439 /nfs/dbraw/zinc/02/14/39/1071021439.db2.gz OEZVVGKGDJOGTQ-BOABCYKGSA-N -1 0 524.278 6.628 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2C(C)C)cc1 ZINC000408912020 1071058766 /nfs/dbraw/zinc/05/87/66/1071058766.db2.gz LPPYZZGIXSFYNO-HBAVDNSESA-N -1 0 510.251 6.238 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408911013 1071063542 /nfs/dbraw/zinc/06/35/42/1071063542.db2.gz YCWRZMGLDPYQCD-JZUATIQESA-N -1 0 567.461 6.286 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000408910871 1071065203 /nfs/dbraw/zinc/06/52/03/1071065203.db2.gz LXIWCQJMGWMYDV-FNHMMTEWSA-N -1 0 502.592 5.914 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408917276 1071069026 /nfs/dbraw/zinc/06/90/26/1071069026.db2.gz QFHCHXGIIGQKSX-QALOTRAISA-N -1 0 693.619 9.082 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408918622 1071130075 /nfs/dbraw/zinc/13/00/75/1071130075.db2.gz MVFRSPXQTNUVLV-ROMYZNNRSA-N -1 0 656.160 7.567 40 30 KKEBRM Cc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408917695 1071145986 /nfs/dbraw/zinc/14/59/86/1071145986.db2.gz ZZXSQODIGSNKFL-XAJLMYAWSA-N -1 0 583.713 8.264 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)S/C2=N/c2ccccc2)cc1 ZINC000408917570 1071147777 /nfs/dbraw/zinc/14/77/77/1071147777.db2.gz XNJVRCRMOHCOEW-ZXOATSBDSA-N -1 0 615.667 7.829 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccc(OCc4ccc(F)cc4)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931493 1071151693 /nfs/dbraw/zinc/15/16/93/1071151693.db2.gz MHRXHHSLMXCWDE-BLGMPFDXSA-N -1 0 568.626 6.916 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)S/C2=N/c2ccccc2)cc1 ZINC000408917406 1071149077 /nfs/dbraw/zinc/14/90/77/1071149077.db2.gz TWZVPBYEXUODRJ-LMTAGKIXSA-N -1 0 510.571 6.458 40 30 KKEBRM CCOC(=O)COc1c(I)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408931674 1071150535 /nfs/dbraw/zinc/15/05/35/1071150535.db2.gz OTJJJBNSGVSJKJ-TXUSTZCOSA-N -1 0 702.523 5.753 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930984 1071156956 /nfs/dbraw/zinc/15/69/56/1071156956.db2.gz FTPLSQYZHUHTEI-OZHDEPMQSA-N -1 0 637.714 6.532 40 30 KKEBRM CC/N=C1/S/C(=C/c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C(=O)N1CC ZINC000408931213 1071153703 /nfs/dbraw/zinc/15/37/03/1071153703.db2.gz INRICJXQLHSNPR-VTNZUCANSA-N -1 0 519.417 5.047 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930853 1071158269 /nfs/dbraw/zinc/15/82/69/1071158269.db2.gz CWLMGZQHNJHZAW-MRASBGJVSA-N -1 0 606.531 7.912 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408929061 1071176590 /nfs/dbraw/zinc/17/65/90/1071176590.db2.gz PTNJLIGLAONZNN-VDLXIRAZSA-N -1 0 711.622 7.581 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408928657 1071182450 /nfs/dbraw/zinc/18/24/50/1071182450.db2.gz CZDQFTQXSKTMSY-NBBXONKTSA-N -1 0 685.540 5.647 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928431 1071183903 /nfs/dbraw/zinc/18/39/03/1071183903.db2.gz BENPDXMLRRYAGE-VCQIQGNHSA-N -1 0 536.053 6.912 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408934172 1071201877 /nfs/dbraw/zinc/20/18/77/1071201877.db2.gz LMAZOJNRZDKEHQ-WHQHWOLESA-N -1 0 513.619 5.798 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408936839 1071208505 /nfs/dbraw/zinc/20/85/05/1071208505.db2.gz PZOPSMYCFXOSQI-YGPDSOAISA-N -1 0 712.522 6.390 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1O ZINC000408936362 1071212837 /nfs/dbraw/zinc/21/28/37/1071212837.db2.gz PGNYDEOMCVWYDF-OMKPBWPJSA-N -1 0 530.602 5.640 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408935167 1071226084 /nfs/dbraw/zinc/22/60/84/1071226084.db2.gz MTQRMAAFRMZWMR-XHDNMGMVSA-N -1 0 672.159 7.267 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933067 1071244417 /nfs/dbraw/zinc/24/44/17/1071244417.db2.gz HESQATWMYQCBGC-YEWAHMKZSA-N -1 0 590.013 7.019 40 30 KKEBRM COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408932567 1071251290 /nfs/dbraw/zinc/25/12/90/1071251290.db2.gz XMDULMDOPHFBNY-LQKURTRISA-N -1 0 572.399 5.164 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408932869 1071248328 /nfs/dbraw/zinc/24/83/28/1071248328.db2.gz FGVBGHWWOWJHEE-HRKJWMQXSA-N -1 0 541.000 6.307 40 30 KKEBRM C=CCOc1cc(Br)c(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1OC ZINC000408931831 1071257335 /nfs/dbraw/zinc/25/73/35/1071257335.db2.gz QUKYQMVHTYOIKU-BJVKLOITSA-N -1 0 517.401 5.263 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408932090 1071254745 /nfs/dbraw/zinc/25/47/45/1071254745.db2.gz TWIFDIDDYQSKQL-SVXGEDGSSA-N -1 0 628.476 5.855 40 30 KKEBRM C#CCn1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000408931816 1071257213 /nfs/dbraw/zinc/25/72/13/1071257213.db2.gz QQMRAKQFHOLQRG-LEGKVYBRSA-N -1 0 521.598 5.786 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931832 1071257298 /nfs/dbraw/zinc/25/72/98/1071257298.db2.gz QUSBGOUVKICEQJ-ZNJHOFBDSA-N -1 0 847.425 7.894 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N2C)cccc1C(=O)[O-] ZINC000408942991 1071294748 /nfs/dbraw/zinc/29/47/48/1071294748.db2.gz XRTUBLSRBCEGTI-JAOKKZKVSA-N -1 0 526.574 5.838 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCC#N)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408942295 1071300345 /nfs/dbraw/zinc/30/03/45/1071300345.db2.gz XGXZLGZFGOVYTP-UGWSDFGRSA-N -1 0 578.444 5.862 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408941841 1071304130 /nfs/dbraw/zinc/30/41/30/1071304130.db2.gz KMRAFZLKPATANT-XSLNYXNTSA-N -1 0 556.087 7.118 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4)cc3Br)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408941452 1071308434 /nfs/dbraw/zinc/30/84/34/1071308434.db2.gz VUPNVORBOSAPDN-BSFFGKOQSA-N -1 0 702.583 6.986 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4ccc(I)cc4)c(I)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408941306 1071310012 /nfs/dbraw/zinc/31/00/12/1071310012.db2.gz VMBVALSMFGVXDC-IAPUUSCPSA-N -1 0 710.331 6.715 40 30 KKEBRM CC[C@@H](C)Oc1c(Br)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408938139 1071335449 /nfs/dbraw/zinc/33/54/49/1071335449.db2.gz RVAOYDWQDLNRMN-PJMXRACVSA-N -1 0 625.541 7.146 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cn(C(C)C)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408937377 1071341395 /nfs/dbraw/zinc/34/13/95/1071341395.db2.gz QLWTYBGEHLGRFP-ZHELPIKKSA-N -1 0 525.630 6.733 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408948771 1071364341 /nfs/dbraw/zinc/36/43/41/1071364341.db2.gz GPIXNAYLTVVIDR-DHRITJCHSA-N -1 0 652.529 6.389 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408947903 1071368954 /nfs/dbraw/zinc/36/89/54/1071368954.db2.gz DNAKMAJZHDCPHB-KVSWJAHQSA-N -1 0 670.991 7.687 40 30 KKEBRM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000408956964 1071374696 /nfs/dbraw/zinc/37/46/96/1071374696.db2.gz RXJUOMCTJGTFBN-NWKPPJFGSA-N -1 0 776.435 5.009 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408955942 1071382266 /nfs/dbraw/zinc/38/22/66/1071382266.db2.gz VIBBSAKKDVEKAU-SSDVNMTOSA-N -1 0 595.435 6.095 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(OCC)c3)S2)cc1 ZINC000408955753 1071382301 /nfs/dbraw/zinc/38/23/01/1071382301.db2.gz YZAZPQJEXLAYET-BUVRLJJBSA-N -1 0 553.036 6.306 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1cccc(C(=O)[O-])c1 ZINC000408955662 1071383625 /nfs/dbraw/zinc/38/36/25/1071383625.db2.gz YDJJTHUXQYORSD-FWAMYBDSSA-N -1 0 500.168 5.127 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cc(Br)c(Br)o3)SC2=Nc2ccccc2)cc1 ZINC000408953899 1071394760 /nfs/dbraw/zinc/39/47/60/1071394760.db2.gz QNARXEFYGIVUCY-LWCDXBROSA-N -1 0 562.239 6.307 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(OC)cc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c2C)c1 ZINC000408965605 1071414774 /nfs/dbraw/zinc/41/47/74/1071414774.db2.gz JFWKHFXKGKHSPF-XMFBMUJDSA-N -1 0 609.704 6.782 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964574 1071417904 /nfs/dbraw/zinc/41/79/04/1071417904.db2.gz DRNRWSPDDRRCHH-OBKMDNOYSA-N -1 0 544.629 5.755 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(I)c1OCC(=O)[O-] ZINC000408963867 1071420731 /nfs/dbraw/zinc/42/07/31/1071420731.db2.gz DMDMLQGZUFWLNS-OVCLIPMQSA-N -1 0 593.226 5.352 40 30 KKEBRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408963243 1071424649 /nfs/dbraw/zinc/42/46/49/1071424649.db2.gz YKGJKMRCIDPBDN-VGOFMYFVSA-N -1 0 502.173 5.111 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)SC2=Nc2ccccc2)cc1 ZINC000408962414 1071426265 /nfs/dbraw/zinc/42/62/65/1071426265.db2.gz RPPMDCSHARMNFM-WBNGYFCTSA-N -1 0 580.666 5.003 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000408962301 1071427659 /nfs/dbraw/zinc/42/76/59/1071427659.db2.gz YIVJLLAVBQSWSH-VMTYDJDUSA-N -1 0 573.674 7.292 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)cc1 ZINC000408960097 1071433713 /nfs/dbraw/zinc/43/37/13/1071433713.db2.gz JKBCDRDAWIXUBD-QBGQFJQCSA-N -1 0 557.672 5.290 40 30 KKEBRM CCOc1cc(C=NNc2nc(Nc3cccc(C)c3C)nc(N3CCC(C)CC3)n2)cc(Cl)c1O ZINC000408973496 1071447162 /nfs/dbraw/zinc/44/71/62/1071447162.db2.gz BECYVXPSCJOTOS-RWPZCVJISA-N -1 0 510.042 5.094 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408987194 1071483192 /nfs/dbraw/zinc/48/31/92/1071483192.db2.gz DZXAFUMDKGGNCA-FMCGGJTJSA-N -1 0 575.017 5.750 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408985907 1071494622 /nfs/dbraw/zinc/49/46/22/1071494622.db2.gz YSEXZOUBSJSOPF-UQQQWYQISA-N -1 0 545.433 5.985 40 30 KKEBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408985741 1071498606 /nfs/dbraw/zinc/49/86/06/1071498606.db2.gz YHBXAZKMSISOQO-OYKKKHCWSA-N -1 0 508.965 5.498 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I ZINC000408985111 1071503260 /nfs/dbraw/zinc/50/32/60/1071503260.db2.gz VIZUMHXADPHOPA-AUWJEWJLSA-N -1 0 601.622 5.247 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Br)c1O ZINC000408727250 1071510951 /nfs/dbraw/zinc/51/09/51/1071510951.db2.gz ZGNAUUYNBCFNJD-YPRVEJFFSA-N -1 0 523.452 6.979 40 30 KKEBRM COc1ccc(NC(=O)[C@@H](CCCNC(=NC(=O)OCc2ccccc2)[N-]C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000408720435 1071512442 /nfs/dbraw/zinc/51/24/42/1071512442.db2.gz OVVGTKMGLOFRCJ-JGCGQSQUSA-N -1 0 681.746 5.918 40 30 KKEBRM C=CCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408983939 1071514092 /nfs/dbraw/zinc/51/40/92/1071514092.db2.gz ORTILNXYFXMULA-SXGWCWSVSA-N -1 0 519.779 5.041 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)cc1 ZINC000408982391 1071527881 /nfs/dbraw/zinc/52/78/81/1071527881.db2.gz GSVJVBKRRNCWIO-NHDPSOOVSA-N -1 0 520.372 5.673 40 30 KKEBRM Cc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc(C(=O)[O-])c(O)c4)o3)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000408719643 1071546649 /nfs/dbraw/zinc/54/66/49/1071546649.db2.gz NVJCVEZVFXXAFF-XICOUIIWSA-N -1 0 603.683 6.493 40 30 KKEBRM [O-]c1c(Br)cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1Br ZINC000408979881 1071542613 /nfs/dbraw/zinc/54/26/13/1071542613.db2.gz SVOQLRNRWHVCCF-BRJLIKDPSA-N -1 0 520.290 7.839 40 30 KKEBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/SC(=Nc6ccc(C(=O)[O-])cc6)NC5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408991110 1071584532 /nfs/dbraw/zinc/58/45/32/1071584532.db2.gz MTNKOBVOJPDWSN-DICXZTSXSA-N -1 0 667.750 7.506 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408990212 1071591158 /nfs/dbraw/zinc/59/11/58/1071591158.db2.gz JXRDTCZWKUJBOU-DVMXHXSJSA-N -1 0 720.210 7.279 40 30 KKEBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408739882 1071602199 /nfs/dbraw/zinc/60/21/99/1071602199.db2.gz BJGPWMIIAGYLOU-HMHIXTCJSA-N -1 0 510.984 5.166 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408987541 1071611959 /nfs/dbraw/zinc/61/19/59/1071611959.db2.gz FQQQNIXXRCFEEX-ONUIUJJFSA-N -1 0 528.580 5.761 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=NNc3ccc([N+](=O)[O-])cc3)cc2I)cc1 ZINC000408995687 1071621518 /nfs/dbraw/zinc/62/15/18/1071621518.db2.gz KONCTZXRJPIGOS-BHGWPJFGSA-N -1 0 643.175 5.527 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccco3)CCCC4)o2)c1 ZINC000408996662 1071617066 /nfs/dbraw/zinc/61/70/66/1071617066.db2.gz MCSDBNAETKMSEG-NUJZUDFISA-N -1 0 508.983 6.512 40 30 KKEBRM O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000408741750 1071624525 /nfs/dbraw/zinc/62/45/25/1071624525.db2.gz NQLOZDXRKWJELO-ACAGNQJTSA-N -1 0 533.039 5.571 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409005832 1071628040 /nfs/dbraw/zinc/62/80/40/1071628040.db2.gz GOLFOBRYOLGIRY-IWIPYMOSSA-N -1 0 578.042 5.787 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409004010 1071634189 /nfs/dbraw/zinc/63/41/89/1071634189.db2.gz WCOJWZFUNRPZJA-KQWNVCNZSA-N -1 0 501.560 5.507 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc(C)c1Br ZINC000408756098 1071639324 /nfs/dbraw/zinc/63/93/24/1071639324.db2.gz QUVRCTHWMXVUHX-UUYOSTAYSA-N -1 0 616.331 6.997 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)o2)cc1Cl ZINC000409001442 1071645027 /nfs/dbraw/zinc/64/50/27/1071645027.db2.gz VSTXQAJJAKBZOS-ACXHZZMFSA-N -1 0 519.022 6.919 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408755599 1071643688 /nfs/dbraw/zinc/64/36/88/1071643688.db2.gz OTMYMYWHRKBPPC-PXNMLYILSA-N -1 0 570.259 5.192 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O ZINC000408997937 1071661056 /nfs/dbraw/zinc/66/10/56/1071661056.db2.gz PHLFQYXJSDBXKN-YBEGLDIGSA-N -1 0 630.254 5.061 40 30 KKEBRM C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409016975 1071665597 /nfs/dbraw/zinc/66/55/97/1071665597.db2.gz UPYLENGQEUCEDG-MFKUBSTISA-N -1 0 530.552 5.323 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408752089 1071666691 /nfs/dbraw/zinc/66/66/91/1071666691.db2.gz FUJCIJDMUYSRDM-LPYMAVHISA-N -1 0 655.299 6.402 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408749544 1071682715 /nfs/dbraw/zinc/68/27/15/1071682715.db2.gz QLRAUAVVDHQBSA-FRKPEAEDSA-N -1 0 546.226 5.510 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1Br ZINC000408748906 1071688733 /nfs/dbraw/zinc/68/87/33/1071688733.db2.gz IXTIZZHNBMGBFA-MKMNVTDBSA-N -1 0 546.624 5.220 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)o2)c1 ZINC000408760431 1071697370 /nfs/dbraw/zinc/69/73/70/1071697370.db2.gz YOIYIXPLTNAVTH-ZNFUCCHLSA-N -1 0 514.990 7.102 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408758446 1071705071 /nfs/dbraw/zinc/70/50/71/1071705071.db2.gz KBKIGUHITXDRDM-PXNMLYILSA-N -1 0 525.808 5.083 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408758530 1071705144 /nfs/dbraw/zinc/70/51/44/1071705144.db2.gz LWDITPPGEMPFNM-LFVJCYFKSA-N -1 0 545.433 6.040 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(I)c([O-])c(I)c3)S2)cc(C)c1Br ZINC000408766533 1071719452 /nfs/dbraw/zinc/71/94/52/1071719452.db2.gz VGFDBMSTOQFBME-AUWJEWJLSA-N -1 0 655.093 5.872 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c([O-])c(I)c3)S2)cc1 ZINC000408765525 1071723628 /nfs/dbraw/zinc/72/36/28/1071723628.db2.gz YFDCEEXSKUNKBS-DHDCSXOGSA-N -1 0 576.197 5.055 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408764043 1071730209 /nfs/dbraw/zinc/73/02/09/1071730209.db2.gz RIYNTEZSWOKTDV-LPYMAVHISA-N -1 0 736.198 7.099 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408763696 1071730621 /nfs/dbraw/zinc/73/06/21/1071730621.db2.gz UHTXNNMNRYTWFX-FYJGNVAPSA-N -1 0 600.296 7.038 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408763068 1071733704 /nfs/dbraw/zinc/73/37/04/1071733704.db2.gz NKNQSEOXUKPYEH-GXQADQIFSA-N -1 0 542.657 6.909 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408761924 1071738438 /nfs/dbraw/zinc/73/84/38/1071738438.db2.gz HWLJJUKJELQKFC-UUYOSTAYSA-N -1 0 538.467 6.372 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(Br)c([O-])c(Br)c2)sc2c1CCCC2 ZINC000408775661 1071753126 /nfs/dbraw/zinc/75/31/26/1071753126.db2.gz JROZWCLTLAOHAS-WKIKZPBSSA-N -1 0 548.300 6.538 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409280938 1071761520 /nfs/dbraw/zinc/76/15/20/1071761520.db2.gz LLNGFGIQYMVRHP-UHFFFAOYSA-N -1 0 575.665 7.053 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409281078 1071759198 /nfs/dbraw/zinc/75/91/98/1071759198.db2.gz CMMGWEIAGALVTD-OAHLLOKOSA-N -1 0 610.848 6.358 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C(C)C ZINC000409280583 1071765171 /nfs/dbraw/zinc/76/51/71/1071765171.db2.gz JMBCJZFIPFDVGI-UHFFFAOYSA-N -1 0 640.534 7.426 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408772631 1071772205 /nfs/dbraw/zinc/77/22/05/1071772205.db2.gz PZEQEODVGUCCGM-OEAKJJBVSA-N -1 0 547.951 5.231 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408772438 1071774622 /nfs/dbraw/zinc/77/46/22/1071774622.db2.gz LREVLECJQVQTJG-OEAKJJBVSA-N -1 0 520.944 5.462 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409279944 1071774712 /nfs/dbraw/zinc/77/47/12/1071774712.db2.gz IWKAWGINJXFTKT-UHFFFAOYSA-N -1 0 675.717 6.732 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409279946 1071774840 /nfs/dbraw/zinc/77/48/40/1071774840.db2.gz AGHHQHOODMLVSQ-UHFFFAOYSA-N -1 0 630.249 5.552 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccccc3C(=O)[O-])o2)cc1C(C)C ZINC000409279693 1071780489 /nfs/dbraw/zinc/78/04/89/1071780489.db2.gz ILRIKEPOEQWBKD-UHFFFAOYSA-N -1 0 535.600 6.734 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408771538 1071780573 /nfs/dbraw/zinc/78/05/73/1071780573.db2.gz IWWAYHKDSJPVJG-OEAKJJBVSA-N -1 0 549.396 5.871 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408771051 1071782741 /nfs/dbraw/zinc/78/27/41/1071782741.db2.gz FAKCJZYPWFXJGW-HZHRSRAPSA-N -1 0 502.954 5.323 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409279609 1071783954 /nfs/dbraw/zinc/78/39/54/1071783954.db2.gz HXMNFXNTLXRHEZ-UHFFFAOYSA-N -1 0 673.863 7.293 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409279100 1071790186 /nfs/dbraw/zinc/79/01/86/1071790186.db2.gz GRPHZNAONPJPJX-INIZCTEOSA-N -1 0 576.403 5.705 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409279479 1071786689 /nfs/dbraw/zinc/78/66/89/1071786689.db2.gz GZDIYVIXWMQFRM-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279297 1071788669 /nfs/dbraw/zinc/78/86/69/1071788669.db2.gz HFJJSBLBWKUXMR-UHFFFAOYSA-N -1 0 619.697 6.297 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409278862 1071796083 /nfs/dbraw/zinc/79/60/83/1071796083.db2.gz FJTSRFRKAFZAMW-UHFFFAOYSA-N -1 0 562.670 6.882 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)cc21 ZINC000409278750 1071798997 /nfs/dbraw/zinc/79/89/97/1071798997.db2.gz FUPLDCDZRRIJOQ-UHFFFAOYSA-N -1 0 610.022 6.640 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409278129 1071808292 /nfs/dbraw/zinc/80/82/92/1071808292.db2.gz CXCZPDRCHPGASV-ZDUSSCGKSA-N -1 0 611.792 5.868 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408782290 1071811836 /nfs/dbraw/zinc/81/18/36/1071811836.db2.gz GRMGVQJCFQZHLM-ZVHZXABRSA-N -1 0 579.480 6.983 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Br)c1 ZINC000409277841 1071813688 /nfs/dbraw/zinc/81/36/88/1071813688.db2.gz BEZRTPLDQBZJSZ-UHFFFAOYSA-N -1 0 594.893 7.020 40 30 KKEBRM CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409037288 1071815238 /nfs/dbraw/zinc/81/52/38/1071815238.db2.gz TXVQZYMWEILXJR-JNNAGZRYSA-N -1 0 516.797 5.730 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4cccc(C(=O)[O-])c4)c(Br)c3Br)cc21 ZINC000409277654 1071815496 /nfs/dbraw/zinc/81/54/96/1071815496.db2.gz BNMGEAVTVFLBGK-UHFFFAOYSA-N -1 0 733.369 7.511 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2Cl)cc1 ZINC000409277690 1071816056 /nfs/dbraw/zinc/81/60/56/1071816056.db2.gz BQGBLTADWPRSLA-UHFFFAOYSA-N -1 0 584.415 7.276 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408780804 1071821815 /nfs/dbraw/zinc/82/18/15/1071821815.db2.gz LCEXGCAEBXWIOG-CVKSISIWSA-N -1 0 521.573 5.158 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408780661 1071822556 /nfs/dbraw/zinc/82/25/56/1071822556.db2.gz HJYQEDVEGKUBPW-PCLIKHOPSA-N -1 0 528.580 5.815 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409293905 1071827638 /nfs/dbraw/zinc/82/76/38/1071827638.db2.gz MGUODFWJRMBOSJ-UHFFFAOYSA-N -1 0 543.421 5.866 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C2=C1CCCC2=O ZINC000409046809 1071827999 /nfs/dbraw/zinc/82/79/99/1071827999.db2.gz MMFHVPFNWUDCAF-UHFFFAOYSA-N -1 0 576.476 7.224 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409294067 1071825262 /nfs/dbraw/zinc/82/52/62/1071825262.db2.gz KYBUTFDUKAMXIG-UHFFFAOYSA-N -1 0 719.032 8.478 40 30 KKEBRM O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc(Br)cc(Br)c1[O-])C1c3ccccc3C2c2ccccc21 ZINC000409047244 1071825504 /nfs/dbraw/zinc/82/55/04/1071825504.db2.gz NTKPKXBUNSCLRH-SWAOCSHASA-N -1 0 552.222 5.143 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)c1 ZINC000408779270 1071831436 /nfs/dbraw/zinc/83/14/36/1071831436.db2.gz TVPWDDBDKJYXSI-YDZHTSKRSA-N -1 0 530.378 5.183 40 30 KKEBRM O=C([O-])c1cccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)o2)c1 ZINC000409293563 1071832488 /nfs/dbraw/zinc/83/24/88/1071832488.db2.gz YXTOGUJIDIXCLS-UHFFFAOYSA-N -1 0 509.905 6.304 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409046398 1071832757 /nfs/dbraw/zinc/83/27/57/1071832757.db2.gz KJZCNUSSSDMLOC-UHFFFAOYSA-N -1 0 750.322 8.323 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(Br)c(Cl)c4)NC3=O)o2)cc1Cl ZINC000408777776 1071841577 /nfs/dbraw/zinc/84/15/77/1071841577.db2.gz INEQDBNAKDARIX-NVMNQCDNSA-N -1 0 538.206 6.606 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C2=C1CCCC2=O ZINC000409044603 1071846652 /nfs/dbraw/zinc/84/66/52/1071846652.db2.gz WFGZGBIRUKLXBD-UHFFFAOYSA-N -1 0 633.308 6.428 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409044414 1071850336 /nfs/dbraw/zinc/85/03/36/1071850336.db2.gz CSMYRFZHQGHSMY-MDWZMJQESA-N -1 0 554.622 5.405 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2OCC(=O)[O-])cc1C(C)C ZINC000409291930 1071862648 /nfs/dbraw/zinc/86/26/48/1071862648.db2.gz ROTJLXIPBDILGV-UHFFFAOYSA-N -1 0 519.985 5.503 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C2=C1CCCC2=O ZINC000409043602 1071856999 /nfs/dbraw/zinc/85/69/99/1071856999.db2.gz RZALGHHVMUWRIS-UHFFFAOYSA-N -1 0 605.312 6.833 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409292288 1071857775 /nfs/dbraw/zinc/85/77/75/1071857775.db2.gz GANZUXCXRGTYDY-UHFFFAOYSA-N -1 0 561.638 6.663 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408785013 1071859040 /nfs/dbraw/zinc/85/90/40/1071859040.db2.gz WYYHZLDWCIHBES-XKZIYDEJSA-N -1 0 586.407 5.469 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409292084 1071859610 /nfs/dbraw/zinc/85/96/10/1071859610.db2.gz RXLABYQGFDTPQY-KRWDZBQOSA-N -1 0 568.457 6.545 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2OCC(=O)[O-])cc1C(C)C ZINC000409291976 1071863763 /nfs/dbraw/zinc/86/37/63/1071863763.db2.gz ZBRBGSXRVQHYMQ-UHFFFAOYSA-N -1 0 579.009 5.801 40 30 KKEBRM O=C1NC(=Nc2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000408783535 1071870626 /nfs/dbraw/zinc/87/06/26/1071870626.db2.gz MSTINAIZFRLFHV-VHYOARMISA-N -1 0 701.484 8.686 40 30 KKEBRM CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409042650 1071868090 /nfs/dbraw/zinc/86/80/90/1071868090.db2.gz XHPQYJOUAKJJCL-JNNAGZRYSA-N -1 0 608.248 5.681 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408783430 1071869803 /nfs/dbraw/zinc/86/98/03/1071869803.db2.gz PBBINRQJDAKGRS-SRZZPIQSSA-N -1 0 580.822 5.618 40 30 KKEBRM O=C1NC(=Nc2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000408783527 1071870459 /nfs/dbraw/zinc/87/04/59/1071870459.db2.gz MSTINAIZFRLFHV-NCISAZFDSA-N -1 0 701.484 8.686 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409291751 1071871564 /nfs/dbraw/zinc/87/15/64/1071871564.db2.gz BSAIKZSKHVYOHX-AWEZNQCLSA-N -1 0 577.347 5.215 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409291766 1071872033 /nfs/dbraw/zinc/87/20/33/1071872033.db2.gz QXQNDSYQNCAYGO-UHFFFAOYSA-N -1 0 678.175 6.967 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408795441 1071882530 /nfs/dbraw/zinc/88/25/30/1071882530.db2.gz VKWNTLMMVQODFU-FWGBRMSSSA-N -1 0 585.451 6.498 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291198 1071878058 /nfs/dbraw/zinc/87/80/58/1071878058.db2.gz WSJIFFJKYKAEAF-UHFFFAOYSA-N -1 0 584.854 6.104 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408793671 1071886507 /nfs/dbraw/zinc/88/65/07/1071886507.db2.gz GBYLIHLAOJNWCU-DIENZIEHSA-N -1 0 683.749 7.218 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccccc1F ZINC000408792608 1071887654 /nfs/dbraw/zinc/88/76/54/1071887654.db2.gz BFNNTVXPLHCQJQ-GXMXPRDMSA-N -1 0 618.424 5.950 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408792500 1071888233 /nfs/dbraw/zinc/88/82/33/1071888233.db2.gz AKRKIHQRVBEVPU-JFDXAFBFSA-N -1 0 557.413 5.631 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408791748 1071889281 /nfs/dbraw/zinc/88/92/81/1071889281.db2.gz BXSAQFHNCZJJDK-QERWWCMESA-N -1 0 765.194 7.714 40 30 KKEBRM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409290660 1071890738 /nfs/dbraw/zinc/89/07/38/1071890738.db2.gz ACCZEBVEHSWYMJ-UHFFFAOYSA-N -1 0 646.055 6.958 40 30 KKEBRM CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408790230 1071893907 /nfs/dbraw/zinc/89/39/07/1071893907.db2.gz OAEWHUIMMJASJK-SANMLTNESA-N -1 0 525.557 5.104 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408790141 1071893977 /nfs/dbraw/zinc/89/39/77/1071893977.db2.gz UDOWLYSMWHNYNW-CCWWSCKISA-N -1 0 628.488 6.509 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409290055 1071900926 /nfs/dbraw/zinc/90/09/26/1071900926.db2.gz JPNCOIRZKSLYPB-KRWDZBQOSA-N -1 0 557.990 5.934 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I)C(=O)[O-] ZINC000409290081 1071901597 /nfs/dbraw/zinc/90/15/97/1071901597.db2.gz JYISYCCHKDLYQW-AWEZNQCLSA-N -1 0 671.273 5.388 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409290106 1071902182 /nfs/dbraw/zinc/90/21/82/1071902182.db2.gz KCLIOVXNBVGWTK-UHFFFAOYSA-N -1 0 586.570 6.308 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409056730 1071919296 /nfs/dbraw/zinc/91/92/96/1071919296.db2.gz ICAPBGYCHKFIJV-GKKIUYLVSA-N -1 0 547.589 5.895 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409055411 1071927288 /nfs/dbraw/zinc/92/72/88/1071927288.db2.gz IOBHQXIPPPZFIG-UHFFFAOYSA-N -1 0 651.414 8.649 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409288912 1071921902 /nfs/dbraw/zinc/92/19/02/1071921902.db2.gz JQMTZPBSJVTZLT-UHFFFAOYSA-N -1 0 629.412 7.184 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])c1 ZINC000409288994 1071922849 /nfs/dbraw/zinc/92/28/49/1071922849.db2.gz DHSAMPAOAWQDJT-UHFFFAOYSA-N -1 0 622.943 6.803 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409288681 1071927634 /nfs/dbraw/zinc/92/76/34/1071927634.db2.gz BLDJUHFLFKNWNB-GOSISDBHSA-N -1 0 701.412 7.162 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409055698 1071925221 /nfs/dbraw/zinc/92/52/21/1071925221.db2.gz ALTNUCLWYGSECC-OSBMWDIRSA-N -1 0 532.361 6.484 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409288308 1071930767 /nfs/dbraw/zinc/93/07/67/1071930767.db2.gz FZFLJLALUSZQLI-UHFFFAOYSA-N -1 0 666.450 7.403 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409055076 1071931069 /nfs/dbraw/zinc/93/10/69/1071931069.db2.gz CEFXNOFVKFHOJB-VNKJZNQASA-N -1 0 513.594 6.459 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409054794 1071932695 /nfs/dbraw/zinc/93/26/95/1071932695.db2.gz BQTSYVJZXMJAMB-DCZGRGCISA-N -1 0 606.498 6.621 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OC(C)C)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409054312 1071934171 /nfs/dbraw/zinc/93/41/71/1071934171.db2.gz IWQQLTYNJVVVAY-LTMWAVIFSA-N -1 0 519.417 5.567 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)cc1C(C)C ZINC000409287612 1071942712 /nfs/dbraw/zinc/94/27/12/1071942712.db2.gz XEJOEOGZSBKOCL-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000409297216 1071948259 /nfs/dbraw/zinc/94/82/59/1071948259.db2.gz SNXZIINRDWSSAB-UHFFFAOYSA-N -1 0 629.412 7.184 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1OCC(=O)[O-] ZINC000409297284 1071949472 /nfs/dbraw/zinc/94/94/72/1071949472.db2.gz VXQNGCSHLCTHKU-UHFFFAOYSA-N -1 0 608.489 6.011 40 30 KKEBRM O=C([O-])c1cccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000409296887 1071952504 /nfs/dbraw/zinc/95/25/04/1071952504.db2.gz RYDSAGNOZWVUKP-UHFFFAOYSA-N -1 0 543.501 6.242 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc([N+](=O)[O-])c3O[C@@H](C)C(=O)[O-])cc21 ZINC000409296878 1071957331 /nfs/dbraw/zinc/95/73/31/1071957331.db2.gz JNRUAJGPSLENHX-AWEZNQCLSA-N -1 0 607.373 5.223 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409050136 1071960670 /nfs/dbraw/zinc/96/06/70/1071960670.db2.gz ZGYYKOBIRACLRB-UHFFFAOYSA-N -1 0 689.416 7.700 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C3C4=C(CCCC4=O)N(CC(=O)[O-])C4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000409050172 1071958941 /nfs/dbraw/zinc/95/89/41/1071958941.db2.gz ZUWKTVCFAQVDCH-UHFFFAOYSA-N -1 0 590.481 5.568 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409049859 1071961185 /nfs/dbraw/zinc/96/11/85/1071961185.db2.gz YGJYABSLXRAYAU-UHFFFAOYSA-N -1 0 740.316 8.868 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409296429 1071963870 /nfs/dbraw/zinc/96/38/70/1071963870.db2.gz HZGRAGVCIWZFCA-UHFFFAOYSA-N -1 0 647.751 7.032 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(Br)c3[O-])cc21 ZINC000409296170 1071964950 /nfs/dbraw/zinc/96/49/50/1071964950.db2.gz PWXFWHXJAURGEJ-UHFFFAOYSA-N -1 0 524.758 5.822 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409296065 1071968113 /nfs/dbraw/zinc/96/81/13/1071968113.db2.gz GZBRBYWKMKCWSK-UHFFFAOYSA-N -1 0 674.979 8.079 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409295384 1071981677 /nfs/dbraw/zinc/98/16/77/1071981677.db2.gz QRZOULUOBRTBCD-LBPRGKRZSA-N -1 0 629.733 6.005 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409295012 1071984609 /nfs/dbraw/zinc/98/46/09/1071984609.db2.gz CSHYQOYDKMKRQB-UHFFFAOYSA-N -1 0 638.474 7.130 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409058339 1071987184 /nfs/dbraw/zinc/98/71/84/1071987184.db2.gz MNIDGFPKSJUZKB-RJPJOXNKSA-N -1 0 564.494 7.627 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3Br)cc21 ZINC000409294896 1071987764 /nfs/dbraw/zinc/98/77/64/1071987764.db2.gz POGRJFOCGLMGKX-UHFFFAOYSA-N -1 0 688.918 7.402 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409294795 1071990947 /nfs/dbraw/zinc/99/09/47/1071990947.db2.gz PHLIZZSLXVURRA-GOSISDBHSA-N -1 0 574.590 5.155 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409067237 1071996966 /nfs/dbraw/zinc/99/69/66/1071996966.db2.gz PSXIGRKELAQLQE-UHFFFAOYSA-N -1 0 754.343 9.258 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409065076 1071995942 /nfs/dbraw/zinc/99/59/42/1071995942.db2.gz HEBGVEFIAZAEMR-UHFFFAOYSA-N -1 0 590.511 5.253 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066649 1072000738 /nfs/dbraw/zinc/00/07/38/1072000738.db2.gz NRANLESFUOQMBP-UHFFFAOYSA-N -1 0 614.432 6.095 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(F)c1 ZINC000409066929 1072000872 /nfs/dbraw/zinc/00/08/72/1072000872.db2.gz DOHNGAKFGHJFGL-UHFFFAOYSA-N -1 0 598.465 6.064 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1Cl ZINC000409066672 1072001234 /nfs/dbraw/zinc/00/12/34/1072001234.db2.gz CEPYIEDTRVASDM-UHFFFAOYSA-N -1 0 570.469 6.469 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409066086 1072003991 /nfs/dbraw/zinc/00/39/91/1072003991.db2.gz ALGBKSUKSQYOIN-UHFFFAOYSA-N -1 0 697.610 7.673 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000409066622 1072002756 /nfs/dbraw/zinc/00/27/56/1072002756.db2.gz NPPMRPKEOWRMKK-UHFFFAOYSA-N -1 0 626.577 7.741 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409066969 1071998595 /nfs/dbraw/zinc/99/85/95/1071998595.db2.gz OHUCSTLXQBKTPF-UHFFFAOYSA-N -1 0 626.171 6.576 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c([O-])c(I)c2)cc1C(C)C ZINC000409294363 1071998721 /nfs/dbraw/zinc/99/87/21/1071998721.db2.gz AGRNNUYQQFEFGK-UHFFFAOYSA-N -1 0 693.323 6.691 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409066992 1071999169 /nfs/dbraw/zinc/99/91/69/1071999169.db2.gz NDSQWPJJQXRXKX-UHFFFAOYSA-N -1 0 573.661 6.420 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409066795 1071999774 /nfs/dbraw/zinc/99/97/74/1071999774.db2.gz CNTMKPDTQQSNGB-UHFFFAOYSA-N -1 0 628.143 5.887 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1C(C)C ZINC000409306856 1072007039 /nfs/dbraw/zinc/00/70/39/1072007039.db2.gz SBMGYTOYMGXXTB-UHFFFAOYSA-N -1 0 596.083 7.317 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409065411 1072010133 /nfs/dbraw/zinc/01/01/33/1072010133.db2.gz LMJQWCXILFRVBY-KGENOOAVSA-N -1 0 537.399 5.976 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCC(=O)[O-])c1 ZINC000409065678 1072007755 /nfs/dbraw/zinc/00/77/55/1072007755.db2.gz IRNMHLBDFNQADE-UHFFFAOYSA-N -1 0 513.634 6.036 40 30 KKEBRM CCCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000409065598 1072008907 /nfs/dbraw/zinc/00/89/07/1072008907.db2.gz JMTVNDYWLWWMLT-UHFFFAOYSA-N -1 0 558.115 6.688 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCC(=O)[O-] ZINC000409307025 1072005056 /nfs/dbraw/zinc/00/50/56/1072005056.db2.gz QSRCOTOFNMTMOE-UHFFFAOYSA-N -1 0 531.874 5.090 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C2=C1CCCC2=O ZINC000409064669 1072013650 /nfs/dbraw/zinc/01/36/50/1072013650.db2.gz DJSWTSXHEQRCJH-UHFFFAOYSA-N -1 0 574.888 7.114 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064387 1072015978 /nfs/dbraw/zinc/01/59/78/1072015978.db2.gz GXYFULLUQIHHSX-UHFFFAOYSA-N -1 0 755.909 7.403 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409064650 1072013788 /nfs/dbraw/zinc/01/37/88/1072013788.db2.gz DWIXJHFEJJJDOV-UHFFFAOYSA-N -1 0 598.117 5.878 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064460 1072014227 /nfs/dbraw/zinc/01/42/27/1072014227.db2.gz DKUJNZZHDGVJSD-UHFFFAOYSA-N -1 0 698.654 8.621 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409064542 1072014770 /nfs/dbraw/zinc/01/47/70/1072014770.db2.gz HKCHYCWZILMSJB-UHFFFAOYSA-N -1 0 546.458 5.237 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409064773 1072012413 /nfs/dbraw/zinc/01/24/13/1072012413.db2.gz FKQBZSHLVRVOIM-UHFFFAOYSA-N -1 0 605.709 5.388 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409064790 1072012858 /nfs/dbraw/zinc/01/28/58/1072012858.db2.gz GFLYVWXKFQNUOQ-UHFFFAOYSA-N -1 0 618.941 7.513 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC ZINC000409064113 1072017949 /nfs/dbraw/zinc/01/79/49/1072017949.db2.gz BQOZJTQBHJERPT-UHFFFAOYSA-N -1 0 544.088 6.298 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409306009 1072018530 /nfs/dbraw/zinc/01/85/30/1072018530.db2.gz OSDSRHSPPMYCRM-LJQANCHMSA-N -1 0 588.617 5.545 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2OCC(=O)[O-])cc1C(C)C ZINC000409306038 1072019465 /nfs/dbraw/zinc/01/94/65/1072019465.db2.gz OERJAYAXCNGORY-UHFFFAOYSA-N -1 0 623.460 5.910 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1Cl ZINC000409063853 1072019864 /nfs/dbraw/zinc/01/98/64/1072019864.db2.gz DZLOZOYGMCKZMS-UHFFFAOYSA-N -1 0 718.028 7.693 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409063399 1072021677 /nfs/dbraw/zinc/02/16/77/1072021677.db2.gz BELBDOMQTYXOEQ-UHFFFAOYSA-N -1 0 591.682 5.080 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2[N+](=O)[O-])c1 ZINC000409305558 1072023753 /nfs/dbraw/zinc/02/37/53/1072023753.db2.gz NREAQKQQQMEDRA-UHFFFAOYSA-N -1 0 673.863 7.293 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)cc21 ZINC000409305103 1072028993 /nfs/dbraw/zinc/02/89/93/1072028993.db2.gz MTVQRQMRCUBJER-UHFFFAOYSA-N -1 0 539.931 6.312 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OC(C)C ZINC000409062000 1072026052 /nfs/dbraw/zinc/02/60/52/1072026052.db2.gz LIBWIMQLYWZTAT-DLIIZKKJSA-N -1 0 552.390 5.019 40 30 KKEBRM CCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC ZINC000409061877 1072026932 /nfs/dbraw/zinc/02/69/32/1072026932.db2.gz JMYVOCISDAQWPW-NVHABHRXSA-N -1 0 519.417 5.569 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409305306 1072027596 /nfs/dbraw/zinc/02/75/96/1072027596.db2.gz VFAWVAFUVAHFOK-UHFFFAOYSA-N -1 0 672.168 6.086 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409059961 1072036453 /nfs/dbraw/zinc/03/64/53/1072036453.db2.gz STXLOLPEARXELB-CIKNCDAESA-N -1 0 502.592 5.905 40 30 KKEBRM CC(C)COc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409059663 1072038409 /nfs/dbraw/zinc/03/84/09/1072038409.db2.gz WKFAEPUJOFYDGA-UHFFFAOYSA-N -1 0 548.507 6.798 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccccc3)c(Br)c2)C2=C1CCCC2=O ZINC000409074487 1072040913 /nfs/dbraw/zinc/04/09/13/1072040913.db2.gz MAVUEFAUFKFWAD-UHFFFAOYSA-N -1 0 550.449 5.916 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c(Br)c2Br)cc1C(C)C ZINC000409304349 1072038650 /nfs/dbraw/zinc/03/86/50/1072038650.db2.gz JRJYBLVOBKZURF-UHFFFAOYSA-N -1 0 763.483 8.587 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000409304421 1072039609 /nfs/dbraw/zinc/03/96/09/1072039609.db2.gz JZHOTESGROXHOL-AWEZNQCLSA-N -1 0 532.896 5.105 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409077230 1072041711 /nfs/dbraw/zinc/04/17/11/1072041711.db2.gz CXIGQCUZAHNYOU-UHFFFAOYSA-N -1 0 681.491 8.483 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409076985 1072045848 /nfs/dbraw/zinc/04/58/48/1072045848.db2.gz CVRRDRDNLUJDEN-RCASGSTKSA-N -1 0 570.711 7.450 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Br)c([O-])c(I)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409076518 1072050740 /nfs/dbraw/zinc/05/07/40/1072050740.db2.gz BDCDVGGNSZSGRN-YJDIGNJUSA-N -1 0 671.826 8.628 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(OCC(=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409076533 1072051197 /nfs/dbraw/zinc/05/11/97/1072051197.db2.gz AJPKYSPRFRUCGD-KQPIQEFLSA-N -1 0 525.070 7.019 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409303335 1072053641 /nfs/dbraw/zinc/05/36/41/1072053641.db2.gz GYMKNYHWXAFHMR-UHFFFAOYSA-N -1 0 599.279 6.204 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409075690 1072057416 /nfs/dbraw/zinc/05/74/16/1072057416.db2.gz ZZWGRAABVPAOSR-UHFFFAOYSA-N -1 0 560.485 5.627 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409075156 1072062895 /nfs/dbraw/zinc/06/28/95/1072062895.db2.gz PBLLFKBNORGWHJ-KOEQRZSOSA-N -1 0 553.014 6.476 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409302761 1072061607 /nfs/dbraw/zinc/06/16/07/1072061607.db2.gz KACIDLYVTRADAO-INIZCTEOSA-N -1 0 691.804 7.647 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1cccc(F)c1 ZINC000409075121 1072062308 /nfs/dbraw/zinc/06/23/08/1072062308.db2.gz UTCIVORVPWSXIM-UHFFFAOYSA-N -1 0 654.573 7.336 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409302645 1072063691 /nfs/dbraw/zinc/06/36/91/1072063691.db2.gz FTFNYYRRMAHVBS-CQSZACIVSA-N -1 0 532.822 5.594 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C2=C1CCCC2=O ZINC000409074831 1072064702 /nfs/dbraw/zinc/06/47/02/1072064702.db2.gz SHEXLAKVDQOQEV-UHFFFAOYSA-N -1 0 647.335 6.818 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409302512 1072065962 /nfs/dbraw/zinc/06/59/62/1072065962.db2.gz GEPHUXKADKSXAE-OAHLLOKOSA-N -1 0 657.848 6.201 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409074773 1072066835 /nfs/dbraw/zinc/06/68/35/1072066835.db2.gz VMYXEVKTGOFTHM-UHFFFAOYSA-N -1 0 574.114 5.924 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Br)cc1 ZINC000409302379 1072067691 /nfs/dbraw/zinc/06/76/91/1072067691.db2.gz DQHDEZSCWMJHSJ-UHFFFAOYSA-N -1 0 752.213 8.257 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccccc2F)C2=C1CCCC2=O ZINC000409074099 1072069543 /nfs/dbraw/zinc/06/95/43/1072069543.db2.gz RVYKYCZDKAOOHM-UHFFFAOYSA-N -1 0 568.439 6.055 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409074325 1072068726 /nfs/dbraw/zinc/06/87/26/1072068726.db2.gz PSXSSQMPXNMJQM-UHFFFAOYSA-N -1 0 577.699 5.615 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409074205 1072069942 /nfs/dbraw/zinc/06/99/42/1072069942.db2.gz YQFIAWQKFOARRB-UHFFFAOYSA-N -1 0 695.607 7.495 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Br)cc1 ZINC000409302077 1072071399 /nfs/dbraw/zinc/07/13/99/1072071399.db2.gz FDSOLDZIJJPNEH-UHFFFAOYSA-N -1 0 622.397 7.004 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409073653 1072072231 /nfs/dbraw/zinc/07/22/31/1072072231.db2.gz QYGIAVVABMXUMI-UHFFFAOYSA-N -1 0 597.752 7.163 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409073696 1072072822 /nfs/dbraw/zinc/07/28/22/1072072822.db2.gz HUHWTJNJFBDRPI-UHFFFAOYSA-N -1 0 502.007 5.175 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409073739 1072073181 /nfs/dbraw/zinc/07/31/81/1072073181.db2.gz IFQUVTRIZPELJZ-PXLXIMEGSA-N -1 0 502.954 5.323 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073566 1072074356 /nfs/dbraw/zinc/07/43/56/1072074356.db2.gz VXNOEEABRMICTA-UHFFFAOYSA-N -1 0 707.039 6.649 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC000409301747 1072074523 /nfs/dbraw/zinc/07/45/23/1072074523.db2.gz GAWDQRKHWGFCTG-UHFFFAOYSA-N -1 0 690.332 6.274 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073403 1072075190 /nfs/dbraw/zinc/07/51/90/1072075190.db2.gz YPBLNEVCGGDYOB-CJLVFECKSA-N -1 0 581.046 5.210 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409073429 1072075766 /nfs/dbraw/zinc/07/57/66/1072075766.db2.gz YTNQFOAAHFSOKQ-UHFFFAOYSA-N -1 0 636.583 7.058 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073122 1072077483 /nfs/dbraw/zinc/07/74/83/1072077483.db2.gz XJDCPDUEIRQMCH-UHFFFAOYSA-N -1 0 534.052 6.590 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])c(Br)c1 ZINC000409072228 1072083982 /nfs/dbraw/zinc/08/39/82/1072083982.db2.gz MSEDYYZVRROECC-UHFFFAOYSA-N -1 0 592.530 6.798 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409072918 1072077900 /nfs/dbraw/zinc/07/79/00/1072077900.db2.gz FHRBTHAKFHUHLU-KGENOOAVSA-N -1 0 551.426 6.284 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409073174 1072078020 /nfs/dbraw/zinc/07/80/20/1072078020.db2.gz PJSZATUUNGDECG-UHFFFAOYSA-N -1 0 584.894 6.570 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409072240 1072084085 /nfs/dbraw/zinc/08/40/85/1072084085.db2.gz MTCYDKNDAKFYRU-PXLXIMEGSA-N -1 0 565.453 6.674 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409072986 1072078943 /nfs/dbraw/zinc/07/89/43/1072078943.db2.gz OFIPMOLQXYBXJF-UHFFFAOYSA-N -1 0 755.909 7.403 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409301488 1072078916 /nfs/dbraw/zinc/07/89/16/1072078916.db2.gz CNDMCTLKYGVPEK-QGZVFWFLSA-N -1 0 657.359 6.763 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409073031 1072079088 /nfs/dbraw/zinc/07/90/88/1072079088.db2.gz UPJJFYUGCHNHQR-UHFFFAOYSA-N -1 0 620.905 5.368 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073045 1072079305 /nfs/dbraw/zinc/07/93/05/1072079305.db2.gz ONDZUBVQUHNJMP-BUVRLJJBSA-N -1 0 595.073 5.518 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I)C(=O)[O-] ZINC000409301261 1072079668 /nfs/dbraw/zinc/07/96/68/1072079668.db2.gz AMQLKEMBWGKEOX-AWEZNQCLSA-N -1 0 705.246 5.753 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C)cc1 ZINC000409072828 1072079738 /nfs/dbraw/zinc/07/97/38/1072079738.db2.gz LGXSBEIFRGFXAW-UHFFFAOYSA-N -1 0 650.610 7.505 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409072824 1072079900 /nfs/dbraw/zinc/07/99/00/1072079900.db2.gz SQEIUCAZUULXMT-RJPJOXNKSA-N -1 0 564.494 7.627 40 30 KKEBRM CCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409072911 1072080199 /nfs/dbraw/zinc/08/01/99/1072080199.db2.gz FGWWYNMSRRENLK-UHFFFAOYSA-N -1 0 534.480 6.552 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409301294 1072080327 /nfs/dbraw/zinc/08/03/27/1072080327.db2.gz AOMSXYGUOUHUPT-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1Cl ZINC000409072900 1072080407 /nfs/dbraw/zinc/08/04/07/1072080407.db2.gz NYDCGMBNPIXZBS-UHFFFAOYSA-N -1 0 675.947 6.810 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072491 1072081401 /nfs/dbraw/zinc/08/14/01/1072081401.db2.gz VQEKBRLJONTLNP-UHFFFAOYSA-N -1 0 667.007 7.185 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409301172 1072081899 /nfs/dbraw/zinc/08/18/99/1072081899.db2.gz ACMPGQBDRHWBKE-UHFFFAOYSA-N -1 0 657.359 6.777 40 30 KKEBRM CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409072123 1072084943 /nfs/dbraw/zinc/08/49/43/1072084943.db2.gz IHCIKARABVKKFZ-UHFFFAOYSA-N -1 0 514.062 6.289 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409301194 1072082298 /nfs/dbraw/zinc/08/22/98/1072082298.db2.gz BPQDHPSRYWBTTK-UHFFFAOYSA-N -1 0 620.061 7.360 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409072430 1072083112 /nfs/dbraw/zinc/08/31/12/1072083112.db2.gz CCYQEVXIZVWJKC-QCFMCPCVSA-N -1 0 638.720 7.791 40 30 KKEBRM COc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409071986 1072086051 /nfs/dbraw/zinc/08/60/51/1072086051.db2.gz TXPXLYPFVJCEJQ-UHFFFAOYSA-N -1 0 609.355 6.381 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCC(=O)[O-] ZINC000409300932 1072086445 /nfs/dbraw/zinc/08/64/45/1072086445.db2.gz BEYGPTBSZGNTQN-UHFFFAOYSA-N -1 0 562.922 5.116 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000409071602 1072087520 /nfs/dbraw/zinc/08/75/20/1072087520.db2.gz KOEWIULQDBSXSK-UHFFFAOYSA-N -1 0 563.672 5.225 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409071734 1072088302 /nfs/dbraw/zinc/08/83/02/1072088302.db2.gz PRSJUEUMNVYQNA-UHFFFAOYSA-N -1 0 656.595 6.377 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409071599 1072088990 /nfs/dbraw/zinc/08/89/90/1072088990.db2.gz KMOFTCQGJIJFBP-UHFFFAOYSA-N -1 0 535.681 5.983 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409071326 1072089076 /nfs/dbraw/zinc/08/90/76/1072089076.db2.gz QPZKERCARZVWTI-UHFFFAOYSA-N -1 0 600.089 5.395 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071366 1072089341 /nfs/dbraw/zinc/08/93/41/1072089341.db2.gz JMEIPCBLLRVWCY-UHFFFAOYSA-N -1 0 641.502 6.400 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC ZINC000409071379 1072089476 /nfs/dbraw/zinc/08/94/76/1072089476.db2.gz JPOWVNFTGMMHSL-UHFFFAOYSA-N -1 0 521.654 5.593 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409071066 1072091398 /nfs/dbraw/zinc/09/13/98/1072091398.db2.gz PWLMMDKKKOUBFD-UHFFFAOYSA-N -1 0 501.579 5.406 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409300417 1072090157 /nfs/dbraw/zinc/09/01/57/1072090157.db2.gz WKISPRWVQSYZCX-UHFFFAOYSA-N 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/nfs/dbraw/zinc/09/84/44/1072098444.db2.gz XLRRXFMVLFOWLN-VPUKRXIYSA-N -1 0 538.320 5.985 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2OCC(=O)[O-])cc1C(C)C ZINC000409300114 1072093654 /nfs/dbraw/zinc/09/36/54/1072093654.db2.gz WWZNNDVVPFPJJB-UHFFFAOYSA-N -1 0 564.982 5.411 40 30 KKEBRM C=CCOc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409070696 1072094535 /nfs/dbraw/zinc/09/45/35/1072094535.db2.gz LTHBKOLLXDCDEE-UHFFFAOYSA-N -1 0 556.497 6.174 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409069955 1072099203 /nfs/dbraw/zinc/09/92/03/1072099203.db2.gz BSUHHUBLKIDFEO-NLRVBDNBSA-N -1 0 526.589 5.458 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCCC ZINC000409070138 1072098816 /nfs/dbraw/zinc/09/88/16/1072098816.db2.gz KRJRQBKSHQHGQX-LDADJPATSA-N -1 0 503.382 5.576 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2cccc(F)c2)C2=C1CCCC2=O ZINC000409070416 1072096167 /nfs/dbraw/zinc/09/61/67/1072096167.db2.gz GEXYGHPVAUUGFN-UHFFFAOYSA-N -1 0 523.988 5.946 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409300085 1072096554 /nfs/dbraw/zinc/09/65/54/1072096554.db2.gz UNKFDBSFSHOZSQ-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1Cl ZINC000409070242 1072097112 /nfs/dbraw/zinc/09/71/12/1072097112.db2.gz NPHIAXHDGFBYHU-UHFFFAOYSA-N -1 0 626.577 7.741 40 30 KKEBRM C=CCOc1c(CC=C)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000409070236 1072097210 /nfs/dbraw/zinc/09/72/10/1072097210.db2.gz DZZADESWRHKUMS-UHFFFAOYSA-N -1 0 547.692 6.149 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409070001 1072097403 /nfs/dbraw/zinc/09/74/03/1072097403.db2.gz KGFZYUFGPZGFNF-YDZHTSKRSA-N -1 0 592.402 5.340 40 30 KKEBRM COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070052 1072097875 /nfs/dbraw/zinc/09/78/75/1072097875.db2.gz ZKWGOJBVKBBTJI-WYMPLXKRSA-N -1 0 532.290 5.236 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409070036 1072097887 /nfs/dbraw/zinc/09/78/87/1072097887.db2.gz ZICODNZAEZRAHJ-HZHRSRAPSA-N -1 0 565.453 6.674 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCC(=O)[O-] ZINC000409299737 1072099600 /nfs/dbraw/zinc/09/96/00/1072099600.db2.gz UZJUIXPMRSUHHM-UHFFFAOYSA-N -1 0 609.376 5.159 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409069611 1072100973 /nfs/dbraw/zinc/10/09/73/1072100973.db2.gz WIFCHNJGFJXCLS-HZHRSRAPSA-N -1 0 545.523 5.107 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1cccc(Cl)c1 ZINC000409069646 1072101454 /nfs/dbraw/zinc/10/14/54/1072101454.db2.gz MEDFFKVAQOAXJA-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409069448 1072102603 /nfs/dbraw/zinc/10/26/03/1072102603.db2.gz JBHJGEPGZMEURN-UHFFFAOYSA-N -1 0 612.144 6.268 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409069539 1072103166 /nfs/dbraw/zinc/10/31/66/1072103166.db2.gz JOENGQKQAZEWNU-UHFFFAOYSA-N -1 0 600.089 5.313 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1 ZINC000409069557 1072103602 /nfs/dbraw/zinc/10/36/02/1072103602.db2.gz LNMPLPMNOBLUCR-UHFFFAOYSA-N -1 0 659.492 6.296 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409069544 1072103604 /nfs/dbraw/zinc/10/36/04/1072103604.db2.gz LJSBLBMFJAOZKV-PXLXIMEGSA-N -1 0 561.978 5.621 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409068845 1072107305 /nfs/dbraw/zinc/10/73/05/1072107305.db2.gz JGSPHTMEXKETKM-LUOAPIJWSA-N -1 0 538.276 6.099 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409069025 1072106333 /nfs/dbraw/zinc/10/63/33/1072106333.db2.gz UGQCBNJTOPTWJW-UHFFFAOYSA-N -1 0 612.166 8.233 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409069015 1072106380 /nfs/dbraw/zinc/10/63/80/1072106380.db2.gz UEPLGJPFRIBQTA-UHFFFAOYSA-N -1 0 691.540 5.264 40 30 KKEBRM C=CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409068297 1072112742 /nfs/dbraw/zinc/11/27/42/1072112742.db2.gz ACWPZYOIFVCPPC-UHFFFAOYSA-N -1 0 579.285 5.665 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000409067825 1072114720 /nfs/dbraw/zinc/11/47/20/1072114720.db2.gz RIIDPXXAGQSFHE-UHFFFAOYSA-N -1 0 562.106 6.732 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068889 1072107694 /nfs/dbraw/zinc/10/76/94/1072107694.db2.gz JZXWONBFGUGFEY-UHFFFAOYSA-N -1 0 620.507 5.658 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409068904 1072107711 /nfs/dbraw/zinc/10/77/11/1072107711.db2.gz KEBRXPXLVLNXEN-LPYMAVHISA-N -1 0 551.426 6.284 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)cc1C(C)C ZINC000409298890 1072113976 /nfs/dbraw/zinc/11/39/76/1072113976.db2.gz PYQWOHWMQHLWEA-UHFFFAOYSA-N -1 0 745.614 8.057 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409068892 1072107867 /nfs/dbraw/zinc/10/78/67/1072107867.db2.gz KBWQIZVPLAZVNS-UHFFFAOYSA-N -1 0 620.905 5.368 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC(=O)[O-] ZINC000409068782 1072109322 /nfs/dbraw/zinc/10/93/22/1072109322.db2.gz VOUNWUZGUDNTCN-UHFFFAOYSA-N -1 0 583.725 6.773 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068542 1072109783 /nfs/dbraw/zinc/10/97/83/1072109783.db2.gz AZGXOJZYMLFHSL-VUTHCHCSSA-N -1 0 659.116 6.090 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409298958 1072110591 /nfs/dbraw/zinc/11/05/91/1072110591.db2.gz OSLOGQLSLYZBBU-UHFFFAOYSA-N -1 0 604.575 6.276 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C2=C1CCCC2=O ZINC000409067920 1072115637 /nfs/dbraw/zinc/11/56/37/1072115637.db2.gz RQEUHFMSBJVJGS-UHFFFAOYSA-N -1 0 574.888 7.114 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409067561 1072116432 /nfs/dbraw/zinc/11/64/32/1072116432.db2.gz RHNOWERBGLLWNT-UHFFFAOYSA-N -1 0 586.084 6.969 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1 ZINC000409067566 1072116462 /nfs/dbraw/zinc/11/64/62/1072116462.db2.gz FIHOXZPZHSPABU-UHFFFAOYSA-N -1 0 594.502 6.233 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br ZINC000409298589 1072118196 /nfs/dbraw/zinc/11/81/96/1072118196.db2.gz ZYIQCYZYNIZDCT-UHFFFAOYSA-N -1 0 625.195 5.953 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Br)cc1 ZINC000409297942 1072125027 /nfs/dbraw/zinc/12/50/27/1072125027.db2.gz LQXVXHXWYSKYSJ-UHFFFAOYSA-N -1 0 639.344 7.129 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000409080153 1072126453 /nfs/dbraw/zinc/12/64/53/1072126453.db2.gz MDCHGZOHJJHJDN-SQZGSTBDSA-N -1 0 553.862 5.835 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409080149 1072126470 /nfs/dbraw/zinc/12/64/70/1072126470.db2.gz MBUBCPUABSXSAR-LJKFRJGNSA-N -1 0 595.548 9.167 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)cc1C(C)C ZINC000409297771 1072126796 /nfs/dbraw/zinc/12/67/96/1072126796.db2.gz XKMIPOROHOGCIN-UHFFFAOYSA-N -1 0 570.045 7.388 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(Br)cc(Br)c([O-])c2Br)cc1C(C)C ZINC000409297807 1072127156 /nfs/dbraw/zinc/12/71/56/1072127156.db2.gz MNMGTMFGNKABLY-UHFFFAOYSA-N -1 0 664.192 7.379 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079976 1072127453 /nfs/dbraw/zinc/12/74/53/1072127453.db2.gz KMFPBCRCQQRQRE-UHFFFAOYSA-N -1 0 712.550 7.227 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c2C(=O)NCc2ccco2)C1 ZINC000409079978 1072127457 /nfs/dbraw/zinc/12/74/57/1072127457.db2.gz CPQAYBLDOOAASY-YPANPHFWSA-N -1 0 563.503 6.943 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2Br)cc1 ZINC000409297704 1072129790 /nfs/dbraw/zinc/12/97/90/1072129790.db2.gz XAZJYKGXNIHIRL-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(O[C@H](C)C(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409297486 1072131286 /nfs/dbraw/zinc/13/12/86/1072131286.db2.gz WTYIOFGFNUJSAK-XMMPIXPASA-N -1 0 592.696 6.646 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(O[C@@H](C)C(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409297484 1072131290 /nfs/dbraw/zinc/13/12/90/1072131290.db2.gz WTYIOFGFNUJSAK-DEOSSOPVSA-N -1 0 592.696 6.646 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079761 1072131677 /nfs/dbraw/zinc/13/16/77/1072131677.db2.gz MFLKGNGDVJHWGX-UHFFFAOYSA-N -1 0 620.964 6.566 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2I)cc1 ZINC000409297353 1072133653 /nfs/dbraw/zinc/13/36/53/1072133653.db2.gz WHKLCIZRNYZGKW-UHFFFAOYSA-N -1 0 846.213 7.941 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409315266 1072137561 /nfs/dbraw/zinc/13/75/61/1072137561.db2.gz USRMTVNTDCJSCR-UHFFFAOYSA-N -1 0 598.881 6.323 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1 ZINC000409314796 1072141233 /nfs/dbraw/zinc/14/12/33/1072141233.db2.gz TYIUJSCKIXRPKW-UHFFFAOYSA-N -1 0 610.508 7.519 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409314311 1072144455 /nfs/dbraw/zinc/14/44/55/1072144455.db2.gz FQWIBHRBKCTLNO-OAHLLOKOSA-N -1 0 613.852 6.394 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC000409314156 1072145799 /nfs/dbraw/zinc/14/57/99/1072145799.db2.gz RQUXKCWCACAEDR-AWEZNQCLSA-N -1 0 595.288 5.397 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077669 1072153247 /nfs/dbraw/zinc/15/32/47/1072153247.db2.gz FSKQBEXUXLVJHB-UHFFFAOYSA-N -1 0 693.469 7.455 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409077825 1072151980 /nfs/dbraw/zinc/15/19/80/1072151980.db2.gz FZRDIGADANKLPR-KTBDRLKFSA-N -1 0 590.927 7.932 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409312723 1072158112 /nfs/dbraw/zinc/15/81/12/1072158112.db2.gz LYLHKHVUCUJXJO-HNNXBMFYSA-N -1 0 603.300 7.139 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409312771 1072159053 /nfs/dbraw/zinc/15/90/53/1072159053.db2.gz NLUWCJZEQPJRHN-UHFFFAOYSA-N -1 0 577.479 5.727 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409312951 1072154766 /nfs/dbraw/zinc/15/47/66/1072154766.db2.gz AJCZRTOJJXTGAM-UHFFFAOYSA-N -1 0 513.617 5.505 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C2=C1CCCC2=O ZINC000409086500 1072163884 /nfs/dbraw/zinc/16/38/84/1072163884.db2.gz DXVMPHZIVBWKMU-UHFFFAOYSA-N -1 0 635.389 6.666 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409311862 1072167828 /nfs/dbraw/zinc/16/78/28/1072167828.db2.gz CBNPBAPYHVSYPM-SFHVURJKSA-N -1 0 577.479 5.898 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086341 1072169227 /nfs/dbraw/zinc/16/92/27/1072169227.db2.gz QJNCSLUTXHDHRB-UHFFFAOYSA-N -1 0 656.442 5.955 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409086335 1072169268 /nfs/dbraw/zinc/16/92/68/1072169268.db2.gz DKVFCNJIXCUHHL-IBSCZOEOSA-N -1 0 605.927 7.934 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409310180 1072184435 /nfs/dbraw/zinc/18/44/35/1072184435.db2.gz RTRQPXSCZNRCRP-SECBINFHSA-N -1 0 636.964 6.548 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409309320 1072192981 /nfs/dbraw/zinc/19/29/81/1072192981.db2.gz FKYHTQYQVJMUSS-QWHCGFSZSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409309947 1072187378 /nfs/dbraw/zinc/18/73/78/1072187378.db2.gz OIWMDSXFMIAOIP-RYUDHWBXSA-N -1 0 585.680 5.823 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409309623 1072190462 /nfs/dbraw/zinc/19/04/62/1072190462.db2.gz KBPNIFJNAXQIFW-KRWDZBQOSA-N -1 0 534.410 5.832 40 30 KKEBRM C[C@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409309717 1072190877 /nfs/dbraw/zinc/19/08/77/1072190877.db2.gz LOLWLTLUZQHPHY-AWEZNQCLSA-N -1 0 577.273 5.703 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1 ZINC000409309287 1072196019 /nfs/dbraw/zinc/19/60/19/1072196019.db2.gz DZYKIPKKTNZEQZ-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409083788 1072196454 /nfs/dbraw/zinc/19/64/54/1072196454.db2.gz WHYKHELBYJSZSI-DGFCNKCGSA-N -1 0 540.685 8.169 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c([N+](=O)[O-])c3)c2C(=O)Nc2ccccc2)C1 ZINC000409083842 1072197703 /nfs/dbraw/zinc/19/77/03/1072197703.db2.gz ORUZKVSAXNQTBR-AQIFPNHESA-N -1 0 556.482 7.278 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000409308877 1072197710 /nfs/dbraw/zinc/19/77/10/1072197710.db2.gz YZJIRCSNQSLXCR-UHFFFAOYSA-N -1 0 505.284 5.068 40 30 KKEBRM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409308301 1072206928 /nfs/dbraw/zinc/20/69/28/1072206928.db2.gz XZYPXOVSMROCDZ-UHFFFAOYSA-N -1 0 522.708 6.086 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409308621 1072202951 /nfs/dbraw/zinc/20/29/51/1072202951.db2.gz ZEFJEIOQQMJPKR-QHCPKHFHSA-N -1 0 597.712 6.755 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409082716 1072207161 /nfs/dbraw/zinc/20/71/61/1072207161.db2.gz MWEXHJCNPOMOOT-UHFFFAOYSA-N -1 0 616.410 6.490 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082755 1072207696 /nfs/dbraw/zinc/20/76/96/1072207696.db2.gz RAELFFXGMNEILQ-UHFFFAOYSA-N -1 0 656.442 5.955 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308313 1072207316 /nfs/dbraw/zinc/20/73/16/1072207316.db2.gz YBWPJNCPNIQORK-UHFFFAOYSA-N -1 0 595.406 5.188 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409308211 1072210184 /nfs/dbraw/zinc/21/01/84/1072210184.db2.gz WREQUJTZOHBSBS-UHFFFAOYSA-N -1 0 550.409 5.450 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082432 1072210953 /nfs/dbraw/zinc/21/09/53/1072210953.db2.gz PXXYUXYHRRCNFV-UHFFFAOYSA-N -1 0 710.746 8.693 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1[O-] ZINC000409307534 1072222888 /nfs/dbraw/zinc/22/28/88/1072222888.db2.gz TZAPBRGDYHIHCE-UHFFFAOYSA-N -1 0 504.886 5.358 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409082095 1072217447 /nfs/dbraw/zinc/21/74/47/1072217447.db2.gz RPXZBXUDQHOWFJ-GSRFPTTGSA-N -1 0 603.527 8.696 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1)C(=O)[O-] ZINC000409307606 1072219255 /nfs/dbraw/zinc/21/92/55/1072219255.db2.gz TXICQXYWSPAFKZ-OAHLLOKOSA-N -1 0 532.350 5.306 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081404 1072222624 /nfs/dbraw/zinc/22/26/24/1072222624.db2.gz PYRHSMYDKUEATI-UHFFFAOYSA-N -1 0 735.550 8.337 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCc3cccc(C(=O)[O-])c3)c(Br)c2Br)cc1C(C)C ZINC000409307370 1072223831 /nfs/dbraw/zinc/22/38/31/1072223831.db2.gz SGWUQQRTKJZNLX-UHFFFAOYSA-N -1 0 777.510 8.977 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409317233 1072224717 /nfs/dbraw/zinc/22/47/17/1072224717.db2.gz SVDGKZGSYMKVKK-ZIAGYGMSSA-N -1 0 595.288 5.568 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409316508 1072230513 /nfs/dbraw/zinc/23/05/13/1072230513.db2.gz YOMRPQREGOGIHQ-ZDUSSCGKSA-N -1 0 611.718 6.357 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409316889 1072226365 /nfs/dbraw/zinc/22/63/65/1072226365.db2.gz NOUKJLDHFMNPBL-QGZVFWFLSA-N -1 0 564.436 5.841 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC000409315910 1072236228 /nfs/dbraw/zinc/23/62/28/1072236228.db2.gz WMDJIIZXCLYMQM-UHFFFAOYSA-N -1 0 710.104 5.056 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409326816 1072243587 /nfs/dbraw/zinc/24/35/87/1072243587.db2.gz OQGKFTYNOHWAPT-MRXNPFEDSA-N -1 0 643.332 6.603 40 30 KKEBRM CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409092860 1072259263 /nfs/dbraw/zinc/25/92/63/1072259263.db2.gz ZXQOBNIBAVETNQ-XKJRVUDJSA-N -1 0 537.878 6.389 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092637 1072259749 /nfs/dbraw/zinc/25/97/49/1072259749.db2.gz XKWUOPHIOUOZAW-FYJGNVAPSA-N -1 0 626.500 6.108 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409325145 1072259788 /nfs/dbraw/zinc/25/97/88/1072259788.db2.gz XLAAEQSUBZAWPX-QGZVFWFLSA-N -1 0 657.359 6.993 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409324927 1072260153 /nfs/dbraw/zinc/26/01/53/1072260153.db2.gz WMXAQBFLXYDDMW-INIZCTEOSA-N -1 0 736.255 7.756 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409324368 1072265589 /nfs/dbraw/zinc/26/55/89/1072265589.db2.gz SGMQTMBKTWBSEP-OAHLLOKOSA-N -1 0 658.303 6.503 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409324200 1072266698 /nfs/dbraw/zinc/26/66/98/1072266698.db2.gz ROTPUROYLRFNNZ-QGZVFWFLSA-N -1 0 704.359 6.835 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCC(=O)[O-] ZINC000409323465 1072273747 /nfs/dbraw/zinc/27/37/47/1072273747.db2.gz OELOKPWPLUMIOW-ZDUSSCGKSA-N -1 0 536.810 5.070 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br ZINC000409324179 1072269107 /nfs/dbraw/zinc/26/91/07/1072269107.db2.gz RKXUPWAVMWLFJQ-UHFFFAOYSA-N -1 0 563.246 5.315 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091749 1072270065 /nfs/dbraw/zinc/27/00/65/1072270065.db2.gz UDXGKSIZQRHYLM-MTDXEUNCSA-N -1 0 687.627 7.779 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409324025 1072270478 /nfs/dbraw/zinc/27/04/78/1072270478.db2.gz QUEQPLFJLUAKDW-HNNXBMFYSA-N -1 0 647.751 7.248 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409323805 1072271308 /nfs/dbraw/zinc/27/13/08/1072271308.db2.gz QTIWZOFUDHXKLX-UHFFFAOYSA-N -1 0 597.513 7.099 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409323612 1072272234 /nfs/dbraw/zinc/27/22/34/1072272234.db2.gz OPWPHDUOYPMZHB-GFCCVEGCSA-N -1 0 615.706 5.660 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409323266 1072276771 /nfs/dbraw/zinc/27/67/71/1072276771.db2.gz NBRKJLBGJWZEJO-INIZCTEOSA-N -1 0 579.407 5.740 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409090809 1072277921 /nfs/dbraw/zinc/27/79/21/1072277921.db2.gz OUDVPZORNRLGKD-WYPCKENUSA-N -1 0 557.716 7.278 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409090807 1072277930 /nfs/dbraw/zinc/27/79/30/1072277930.db2.gz OUDVPZORNRLGKD-MBEPPJNHSA-N -1 0 557.716 7.278 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322858 1072280732 /nfs/dbraw/zinc/28/07/32/1072280732.db2.gz YIKKXFAQTZTQGP-INIZCTEOSA-N -1 0 579.407 5.740 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090311 1072281689 /nfs/dbraw/zinc/28/16/89/1072281689.db2.gz OUZHIEHCPCVNSK-LPYMAVHISA-N -1 0 572.530 5.316 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)[O-])c(Br)c1Br ZINC000409322324 1072283948 /nfs/dbraw/zinc/28/39/48/1072283948.db2.gz IZOOHOVBUKUDEU-UHFFFAOYSA-N -1 0 660.157 5.771 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409322232 1072285747 /nfs/dbraw/zinc/28/57/47/1072285747.db2.gz JJXOODFSSDHLDE-UHFFFAOYSA-N -1 0 683.397 7.527 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089762 1072286602 /nfs/dbraw/zinc/28/66/02/1072286602.db2.gz KCXCUDWQSWSQAD-UHFFFAOYSA-N -1 0 633.654 6.464 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409322066 1072286633 /nfs/dbraw/zinc/28/66/33/1072286633.db2.gz VWXMBCVCGGLGMA-HNNXBMFYSA-N -1 0 658.303 6.503 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089783 1072286742 /nfs/dbraw/zinc/28/67/42/1072286742.db2.gz KARHYGMURJJPRG-FYJGNVAPSA-N -1 0 625.512 5.596 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000409089408 1072290814 /nfs/dbraw/zinc/29/08/14/1072290814.db2.gz JCGLIRBCQZQIDJ-JCVGPCPRSA-N -1 0 547.124 7.546 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409088432 1072298058 /nfs/dbraw/zinc/29/80/58/1072298058.db2.gz JJTIUKIZICOSNX-JPYNXDQDSA-N -1 0 643.559 7.408 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC000409320440 1072301092 /nfs/dbraw/zinc/30/10/92/1072301092.db2.gz BJFDUGBSELQMDK-CYBMUJFWSA-N -1 0 581.261 5.007 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000409320530 1072302058 /nfs/dbraw/zinc/30/20/58/1072302058.db2.gz BQZDBNKRJZZKRG-UHFFFAOYSA-N -1 0 505.756 5.356 40 30 KKEBRM O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Cl)cc(I)c1[O-])CCCC2 ZINC000409088028 1072302400 /nfs/dbraw/zinc/30/24/00/1072302400.db2.gz VSUQPYQMXHITLZ-MRUKODCESA-N -1 0 540.810 5.864 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409088070 1072303037 /nfs/dbraw/zinc/30/30/37/1072303037.db2.gz VZWLMWGZXIGWHK-UHFFFAOYSA-N -1 0 626.628 7.566 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409320849 1072296578 /nfs/dbraw/zinc/29/65/78/1072296578.db2.gz FNPNPQQGRKSHNB-UHFFFAOYSA-N -1 0 539.655 6.210 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl)C(=O)[O-] ZINC000409320001 1072305298 /nfs/dbraw/zinc/30/52/98/1072305298.db2.gz APHQTUZLTYBQHD-AWEZNQCLSA-N -1 0 532.822 5.594 40 30 KKEBRM O=C([O-])c1cccc(Cn2cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)c3ccccc32)c1 ZINC000409320064 1072305686 /nfs/dbraw/zinc/30/56/86/1072305686.db2.gz BKIGQGMHZGPEPC-UHFFFAOYSA-N -1 0 583.486 6.790 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409087530 1072306716 /nfs/dbraw/zinc/30/67/16/1072306716.db2.gz CZHPNYAIXHCHRC-PGQFDHEXSA-N -1 0 603.527 8.696 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087441 1072308631 /nfs/dbraw/zinc/30/86/31/1072308631.db2.gz UDHTUYUMRQBBTA-XDHOZWIPSA-N -1 0 615.948 6.771 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409318090 1072321913 /nfs/dbraw/zinc/32/19/13/1072321913.db2.gz WWONRRODVGDQOL-UHFFFAOYSA-N -1 0 563.452 5.337 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=N)s1 ZINC000409336589 1072331315 /nfs/dbraw/zinc/33/13/15/1072331315.db2.gz QBQITSLAICPQBN-VEPWRKEPSA-N -1 0 505.375 5.449 40 30 KKEBRM COc1cc(/C=N/c2oc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)c2C#N)cc(Br)c1[O-] ZINC000409335196 1072340744 /nfs/dbraw/zinc/34/07/44/1072340744.db2.gz OPZTVGCBQGATNG-KNBZMSCYSA-N -1 0 561.344 6.170 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409334702 1072343133 /nfs/dbraw/zinc/34/31/33/1072343133.db2.gz ICVOOKOXOFXBKF-BEZVDLRISA-N -1 0 505.448 6.845 40 30 KKEBRM C[C@@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409334814 1072344006 /nfs/dbraw/zinc/34/40/06/1072344006.db2.gz NEXDATIVVZXPBK-MRXNPFEDSA-N -1 0 541.446 5.007 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409334778 1072344046 /nfs/dbraw/zinc/34/40/46/1072344046.db2.gz MDKGQSQFKFMPJA-JBDHCHCMSA-N -1 0 629.488 5.805 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(I)c1OCc1ccc(Br)cc1 ZINC000409333887 1072350215 /nfs/dbraw/zinc/35/02/15/1072350215.db2.gz FJKJFYLYQKJUQF-BRTRIKAXSA-N -1 0 641.350 6.906 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Br)cc1 ZINC000409334455 1072345932 /nfs/dbraw/zinc/34/59/32/1072345932.db2.gz LRTLDCHNQBPZDV-UHFFFAOYSA-N -1 0 718.240 7.891 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccccc4)c(Br)c3)SC2=N)s1 ZINC000409333937 1072350708 /nfs/dbraw/zinc/35/07/08/1072350708.db2.gz GBAPNMWNWOLWLG-FDKCTOBMSA-N -1 0 500.443 5.860 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000409333821 1072349696 /nfs/dbraw/zinc/34/96/96/1072349696.db2.gz DFGFHKBYTIZPNR-BRTRIKAXSA-N -1 0 594.350 7.064 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409331443 1072370447 /nfs/dbraw/zinc/37/04/47/1072370447.db2.gz DFHKKNRMQJGTLI-INIZCTEOSA-N -1 0 542.430 5.340 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000409330397 1072377698 /nfs/dbraw/zinc/37/76/98/1072377698.db2.gz AAOQHYDTQKWGIS-SFHVURJKSA-N -1 0 551.441 5.253 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409337079 1072404626 /nfs/dbraw/zinc/40/46/26/1072404626.db2.gz WORWGCJCRSVMJO-NWDGAFQWSA-N -1 0 585.680 5.823 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=N)s1 ZINC000409336958 1072405814 /nfs/dbraw/zinc/40/58/14/1072405814.db2.gz RMVMCVBYLSUQDY-UVPUAOMFSA-N -1 0 529.043 5.198 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc2c(c1)OCO2 ZINC000409336950 1072405832 /nfs/dbraw/zinc/40/58/32/1072405832.db2.gz RJFBTULSQDDMTP-CPRPDSFRSA-N -1 0 509.609 5.225 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc(Br)c(Cl)c1 ZINC000409108600 1072406269 /nfs/dbraw/zinc/40/62/69/1072406269.db2.gz VKUAFLOZGSNFHY-NGYBGAFCSA-N -1 0 515.370 5.926 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)SC2=N)s1 ZINC000409336996 1072406397 /nfs/dbraw/zinc/40/63/97/1072406397.db2.gz SEOINVATIYDUGH-QZTVSSNYSA-N -1 0 513.475 6.828 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409345806 1072420065 /nfs/dbraw/zinc/42/00/65/1072420065.db2.gz LNCJYMLQPFPYLN-UHFFFAOYSA-N -1 0 617.250 5.185 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(Br)c(OC)c(Br)c3)SC2=N)s1 ZINC000409337713 1072492843 /nfs/dbraw/zinc/49/28/43/1072492843.db2.gz YVJWOMJQYUAVJW-REVHEHSNSA-N -1 0 503.241 5.052 40 30 KKEBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=N)C(c4nccs4)=C3[O-])c1C)CCCC2 ZINC000409337507 1072493292 /nfs/dbraw/zinc/49/32/92/1072493292.db2.gz VWOJHKRQEKXALW-KXLTUJGUSA-N -1 0 511.694 6.086 40 30 KKEBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=N)C(c4nccs4)=C3[O-])c1C)CCCC2 ZINC000409337508 1072493344 /nfs/dbraw/zinc/49/33/44/1072493344.db2.gz VWOJHKRQEKXALW-OIYOKFPHSA-N -1 0 511.694 6.086 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409337613 1072494571 /nfs/dbraw/zinc/49/45/71/1072494571.db2.gz ZXPYGCIQRBPRLS-UHFFFAOYSA-N -1 0 589.273 6.578 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409140535 1072558072 /nfs/dbraw/zinc/55/80/72/1072558072.db2.gz FIBUNZCZHOQZJH-CVKSISIWSA-N -1 0 653.559 7.159 40 30 KKEBRM CCOc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409140489 1072559555 /nfs/dbraw/zinc/55/95/55/1072559555.db2.gz FNVRBRCJFCVDDB-FMCGGJTJSA-N -1 0 615.889 6.179 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409359536 1072611966 /nfs/dbraw/zinc/61/19/66/1072611966.db2.gz OXIXQSFKSJWJNG-OAQYLSRUSA-N -1 0 576.506 5.717 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409376604 1072628091 /nfs/dbraw/zinc/62/80/91/1072628091.db2.gz BROPTNLWQNXHHC-TWKHWXDSSA-N -1 0 576.718 6.940 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409374795 1072635438 /nfs/dbraw/zinc/63/54/38/1072635438.db2.gz ZLQBIXVPFBDHPB-RGVLZGJSSA-N -1 0 541.387 5.565 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387222 1072682554 /nfs/dbraw/zinc/68/25/54/1072682554.db2.gz UZJXZFQMWMSKFQ-MTJSOVHGSA-N -1 0 526.083 6.586 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386590 1072685668 /nfs/dbraw/zinc/68/56/68/1072685668.db2.gz VIYPTLXFLJOUHU-WEAIDNMYSA-N -1 0 568.651 6.802 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386004 1072689540 /nfs/dbraw/zinc/68/95/40/1072689540.db2.gz PUZIUBAEUJWQSW-UKWGHVSLSA-N -1 0 519.362 5.764 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)SC2=Nc2ccccc2)cc1 ZINC000409385857 1072690532 /nfs/dbraw/zinc/69/05/32/1072690532.db2.gz NLOKHIJMMQVVSJ-UZWHTOBLSA-N -1 0 570.623 6.378 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409384745 1072697423 /nfs/dbraw/zinc/69/74/23/1072697423.db2.gz FSHQTJCXSPEDKK-KOEQRZSOSA-N -1 0 544.648 5.926 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1 ZINC000409382180 1072708047 /nfs/dbraw/zinc/70/80/47/1072708047.db2.gz LXDSATIBNQTWAA-UXHICEINSA-N -1 0 587.400 5.338 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409380016 1072720116 /nfs/dbraw/zinc/72/01/16/1072720116.db2.gz FWLMXTBRBWYKOT-KOEQRZSOSA-N -1 0 561.103 6.440 40 30 KKEBRM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409174213 1072723708 /nfs/dbraw/zinc/72/37/08/1072723708.db2.gz TXDBCWYQAPVBMY-ZMOGYAJESA-N -1 0 640.455 6.075 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409173163 1072729435 /nfs/dbraw/zinc/72/94/35/1072729435.db2.gz LLFHKNJIVSATEH-SSDVNMTOSA-N -1 0 539.396 6.379 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409387719 1072741687 /nfs/dbraw/zinc/74/16/87/1072741687.db2.gz PRQDEIIOTJTCEZ-YDZHTSKRSA-N -1 0 590.499 5.692 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000409405913 1072761342 /nfs/dbraw/zinc/76/13/42/1072761342.db2.gz PJGQSNCLPQHXQN-UHFFFAOYSA-N -1 0 599.397 5.894 40 30 KKEBRM COc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186712 1072761704 /nfs/dbraw/zinc/76/17/04/1072761704.db2.gz GWXZOAFAEVGZCU-KUOBGAMESA-N -1 0 564.663 6.645 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409405442 1072762464 /nfs/dbraw/zinc/76/24/64/1072762464.db2.gz UQESHOYJFXYOFH-UHFFFAOYSA-N -1 0 505.530 5.232 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409405231 1072762935 /nfs/dbraw/zinc/76/29/35/1072762935.db2.gz NQGAGGLXILJLFU-UHFFFAOYSA-N -1 0 520.501 5.131 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(CC=C)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186186 1072764627 /nfs/dbraw/zinc/76/46/27/1072764627.db2.gz YIIXGNRKNOONOY-LYEXHEBPSA-N -1 0 767.904 8.094 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)C(=O)[O-] ZINC000409404076 1072767788 /nfs/dbraw/zinc/76/77/88/1072767788.db2.gz KAFPMBDSOHEBNV-AWEZNQCLSA-N -1 0 526.774 5.214 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409402326 1072776661 /nfs/dbraw/zinc/77/66/61/1072776661.db2.gz HHFZSJULIAATES-UHFFFAOYSA-N -1 0 519.557 5.622 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409408243 1072817423 /nfs/dbraw/zinc/81/74/23/1072817423.db2.gz XAZJARKJDBKEAM-UHFFFAOYSA-N -1 0 564.554 5.530 40 30 KKEBRM C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O ZINC000409194693 1072840677 /nfs/dbraw/zinc/84/06/77/1072840677.db2.gz QIYOANHEUNBRTC-CPNJWEJPSA-N -1 0 533.408 5.408 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531091921 1072925967 /nfs/dbraw/zinc/92/59/67/1072925967.db2.gz FQFWVIVTKMILLD-YNFMAFFXSA-N -1 0 613.852 6.178 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531104922 1072930510 /nfs/dbraw/zinc/93/05/10/1072930510.db2.gz NZTZCXNKBZUYOB-YNFMAFFXSA-N -1 0 658.303 6.287 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC001531104914 1072930545 /nfs/dbraw/zinc/93/05/45/1072930545.db2.gz JCCYTHQKSWFRMR-JELCJJKJSA-N -1 0 642.288 5.194 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC001531131580 1072939958 /nfs/dbraw/zinc/93/99/58/1072939958.db2.gz CSZYSEUHAHNUGT-FZPRHHONSA-N -1 0 584.470 6.769 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531136018 1072941356 /nfs/dbraw/zinc/94/13/56/1072941356.db2.gz LXYVREWERNYNAK-VKVKMMGJSA-N -1 0 677.777 7.040 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531136061 1072941838 /nfs/dbraw/zinc/94/18/38/1072941838.db2.gz ROVUANRYBGWKEZ-NUJZUDFISA-N -1 0 579.407 5.524 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-] ZINC001531146988 1072944582 /nfs/dbraw/zinc/94/45/82/1072944582.db2.gz RVDLFDSDAXYBHH-WQBBPGTOSA-N -1 0 541.229 5.497 40 30 KKEBRM CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C(=O)N1C(C)C ZINC000409211562 1072962228 /nfs/dbraw/zinc/96/22/28/1072962228.db2.gz OHZVEAMXJMLAAK-FYAKISBZSA-N -1 0 507.439 6.360 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531209848 1072967809 /nfs/dbraw/zinc/96/78/09/1072967809.db2.gz IHKYLTIEFGYILB-AAPHRLRXSA-N -1 0 647.751 7.032 40 30 KKEBRM COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409209272 1072969644 /nfs/dbraw/zinc/96/96/44/1072969644.db2.gz INBZQKGWMBDUGN-LGJNPRDNSA-N -1 0 515.347 5.944 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531215048 1072969718 /nfs/dbraw/zinc/96/97/18/1072969718.db2.gz XMWYJUGYNGSISG-DMWKKASYSA-N -1 0 691.804 7.431 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531217775 1072971372 /nfs/dbraw/zinc/97/13/72/1072971372.db2.gz JMFHZFHXCWCXMA-ACXHZZMFSA-N -1 0 578.463 6.015 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409226337 1072975128 /nfs/dbraw/zinc/97/51/28/1072975128.db2.gz NAIAZXLMEHHFBD-RTDCPRSPSA-N -1 0 541.629 5.875 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531238199 1072991473 /nfs/dbraw/zinc/99/14/73/1072991473.db2.gz BHNMWVAHIYTKOZ-UAMLYTHZSA-N -1 0 578.463 6.231 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531238209 1072991957 /nfs/dbraw/zinc/99/19/57/1072991957.db2.gz BHNMWVAHIYTKOZ-ZEHKQSLBSA-N -1 0 578.463 6.231 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531238378 1072992866 /nfs/dbraw/zinc/99/28/66/1072992866.db2.gz KXJCOCDHTGGOCA-WGNGTQIVSA-N -1 0 568.855 6.485 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC001531238627 1072993947 /nfs/dbraw/zinc/99/39/47/1072993947.db2.gz OIWMDSXFMIAOIP-XHARTHDMSA-N -1 0 585.680 5.823 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531245031 1073000374 /nfs/dbraw/zinc/00/03/74/1073000374.db2.gz JLUNFNOWLVQKPU-CCVNUDIWSA-N -1 0 565.380 5.179 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(F)cc1 ZINC000409221162 1073000488 /nfs/dbraw/zinc/00/04/88/1073000488.db2.gz LVBZYCSHZABNNF-DDFGBMTRSA-N -1 0 728.321 6.936 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531249473 1073005170 /nfs/dbraw/zinc/00/51/70/1073005170.db2.gz MXWPFQRGTWEZHR-BUMKNRDJSA-N -1 0 643.332 6.603 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531254834 1073008038 /nfs/dbraw/zinc/00/80/38/1073008038.db2.gz KLAHDFHKQLRYNA-OKCVXOCRSA-N -1 0 564.436 5.670 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531254966 1073008385 /nfs/dbraw/zinc/00/83/85/1073008385.db2.gz ONSINRLKTQGVQS-AMVVHIIESA-N -1 0 584.854 5.933 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531255607 1073010199 /nfs/dbraw/zinc/01/01/99/1073010199.db2.gz CAUVXXKPBJANIE-RWPZCVJISA-N -1 0 520.383 5.271 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC001531255552 1073010245 /nfs/dbraw/zinc/01/02/45/1073010245.db2.gz BCVPRYCNTPHBCZ-RWPZCVJISA-N -1 0 521.415 5.490 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531255766 1073011336 /nfs/dbraw/zinc/01/13/36/1073011336.db2.gz NRVZAPJPPMYUIT-UAMLYTHZSA-N -1 0 578.463 6.231 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531256509 1073013509 /nfs/dbraw/zinc/01/35/09/1073013509.db2.gz GSRULUTYLRNCAT-ZJIVOUCISA-N -1 0 579.407 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531256526 1073013966 /nfs/dbraw/zinc/01/39/66/1073013966.db2.gz IPPKHGFWNQVSGO-ZXWLHBBBSA-N -1 0 551.235 5.169 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC001531258977 1073017742 /nfs/dbraw/zinc/01/77/42/1073017742.db2.gz QEZNQFGXVPNZQO-HIWRWHBISA-N -1 0 677.777 7.086 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531263534 1073022050 /nfs/dbraw/zinc/02/20/50/1073022050.db2.gz VZWGCRGVNPNTGD-TVKIPXGJSA-N -1 0 615.706 5.831 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N/c1ccc(F)cc1 ZINC000409229058 1073023280 /nfs/dbraw/zinc/02/32/80/1073023280.db2.gz JDACSBTTXNZQLN-QZUMTDLQSA-N -1 0 500.187 5.680 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531268663 1073028632 /nfs/dbraw/zinc/02/86/32/1073028632.db2.gz UHRKAIWQAXEBPF-ZFQVWYPFSA-N -1 0 612.908 6.884 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Cl)c1Br ZINC001531276332 1073040299 /nfs/dbraw/zinc/04/02/99/1073040299.db2.gz GHNFUXBXVXLURR-DFZVVERJSA-N -1 0 601.679 5.443 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC001531278039 1073043793 /nfs/dbraw/zinc/04/37/93/1073043793.db2.gz NNQHOJBUIGERLN-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531282986 1073048585 /nfs/dbraw/zinc/04/85/85/1073048585.db2.gz BWDKXLJCXUMCTR-ZTCTXGLISA-N -1 0 564.436 5.841 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531292043 1073062556 /nfs/dbraw/zinc/06/25/56/1073062556.db2.gz FQNXMDKWGNTXFH-IVWJEFBKSA-N -1 0 571.653 5.262 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC001531296603 1073067124 /nfs/dbraw/zinc/06/71/24/1073067124.db2.gz MGGGVPOPIGJSIB-RIIXLCPNSA-N -1 0 660.157 5.940 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409230760 1073068084 /nfs/dbraw/zinc/06/80/84/1073068084.db2.gz GESZFUSTLCCGSQ-VCUCLJMBSA-N -1 0 597.487 6.367 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])SC2=Nc2ccccc2)cc1 ZINC000409246899 1073073857 /nfs/dbraw/zinc/07/38/57/1073073857.db2.gz KULWNYOISAGSAG-RQEMOMAKSA-N -1 0 518.591 5.360 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531297844 1073074499 /nfs/dbraw/zinc/07/44/99/1073074499.db2.gz RXRZVJQUZZJYAJ-CCVNUDIWSA-N -1 0 565.380 5.179 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001531303204 1073076347 /nfs/dbraw/zinc/07/63/47/1073076347.db2.gz IYUSHEIGYYBVSU-ACLYYTTKSA-N -1 0 541.229 5.713 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531303362 1073077420 /nfs/dbraw/zinc/07/74/20/1073077420.db2.gz QEGHYEHSXOVBAH-WCMJOSRZSA-N -1 0 623.460 5.968 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531304555 1073082536 /nfs/dbraw/zinc/08/25/36/1073082536.db2.gz IZDYALYFKLVSBI-SZCYMYQJSA-N -1 0 629.733 6.221 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(I)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409245551 1073083068 /nfs/dbraw/zinc/08/30/68/1073083068.db2.gz VSMJQQHUWRDBLW-FYSQBISVSA-N -1 0 617.259 5.150 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531309908 1073085209 /nfs/dbraw/zinc/08/52/09/1073085209.db2.gz MVTYLLLFQSIZSH-VLCQYKRPSA-N -1 0 623.460 6.139 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531309919 1073085471 /nfs/dbraw/zinc/08/54/71/1073085471.db2.gz NPALMUYDYBAFMZ-IBBHUPRXSA-N -1 0 598.881 6.323 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC001531318267 1073093935 /nfs/dbraw/zinc/09/39/35/1073093935.db2.gz BJFDUGBSELQMDK-UQJRAWQTSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC001531318314 1073094653 /nfs/dbraw/zinc/09/46/53/1073094653.db2.gz IWIZKMNVARAYFZ-HIWRWHBISA-N -1 0 677.777 7.086 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC001531318680 1073095332 /nfs/dbraw/zinc/09/53/32/1073095332.db2.gz QLKUTQKQJHOQPS-UFOJXWSGSA-N -1 0 598.235 5.011 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(OCC)c1 ZINC001531325672 1073102004 /nfs/dbraw/zinc/10/20/04/1073102004.db2.gz ZWLCJMLUQLMFKR-ZKJHFGPLSA-N -1 0 642.288 5.239 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@H](C)C(=O)[O-])c2ccccc12 ZINC001531326514 1073104024 /nfs/dbraw/zinc/10/40/24/1073104024.db2.gz MAEYZYQXRJAUKI-DVBIQTOPSA-N -1 0 509.404 5.463 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531326556 1073104611 /nfs/dbraw/zinc/10/46/11/1073104611.db2.gz OBTYUOCCVFRUQF-BNWUJJENSA-N -1 0 613.852 6.394 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531327044 1073109227 /nfs/dbraw/zinc/10/92/27/1073109227.db2.gz VSBSIHQSFDHIEH-IPPBACCNSA-N -1 0 646.279 5.876 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531332039 1073113661 /nfs/dbraw/zinc/11/36/61/1073113661.db2.gz CGMGQHGRPNOFOX-AOAIAPAPSA-N -1 0 647.751 7.248 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC001531332717 1073115946 /nfs/dbraw/zinc/11/59/46/1073115946.db2.gz SVVHUMISIXOOEK-HIWRWHBISA-N -1 0 722.228 7.195 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001531333400 1073118350 /nfs/dbraw/zinc/11/83/50/1073118350.db2.gz MHUVZYUMDUAHAZ-LYIFJOSZSA-N -1 0 521.415 5.660 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531333484 1073118790 /nfs/dbraw/zinc/11/87/90/1073118790.db2.gz TZDUTPRTKPVBEA-WCMJOSRZSA-N -1 0 623.460 5.968 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC001531336963 1073120818 /nfs/dbraw/zinc/12/08/18/1073120818.db2.gz GYABFMJCWBDHSU-IJTYQOOWSA-N -1 0 596.232 5.077 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531339537 1073126567 /nfs/dbraw/zinc/12/65/67/1073126567.db2.gz VXBGCGIIXCMKRZ-BUMKNRDJSA-N -1 0 690.332 6.445 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC001531342935 1073133072 /nfs/dbraw/zinc/13/30/72/1073133072.db2.gz RGDCEWMAIHNMOG-KIBLKLHPSA-N -1 0 527.202 5.154 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC001531351155 1073142535 /nfs/dbraw/zinc/14/25/35/1073142535.db2.gz MSVFVBNVFFZKHB-HWDKICEFSA-N -1 0 508.372 5.821 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)cc1 ZINC001531383333 1073150986 /nfs/dbraw/zinc/15/09/86/1073150986.db2.gz FUFPROHVAKMCTL-KBVAKVRCSA-N -1 0 509.949 5.876 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531383403 1073151688 /nfs/dbraw/zinc/15/16/88/1073151688.db2.gz IYUIRRJFXOATKS-DPNNOFEESA-N -1 0 645.453 6.226 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531384913 1073163059 /nfs/dbraw/zinc/16/30/59/1073163059.db2.gz PCEAPBZWHUFAAJ-PUIHGENOSA-N -1 0 570.827 5.612 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531385530 1073167784 /nfs/dbraw/zinc/16/77/84/1073167784.db2.gz YKBKTCXZNAETBQ-KCSSXMTESA-N -1 0 535.556 5.240 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)n([C@H](C)C(=O)[O-])c4ccccc34)cc21 ZINC000409276007 1073293786 /nfs/dbraw/zinc/29/37/86/1073293786.db2.gz NVDQVQIOFZXTLM-GOSISDBHSA-N -1 0 520.545 5.609 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409275971 1073294948 /nfs/dbraw/zinc/29/49/48/1073294948.db2.gz NLMRSOOITPEGII-LLVKDONJSA-N -1 0 646.130 5.379 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409275261 1073301745 /nfs/dbraw/zinc/30/17/45/1073301745.db2.gz IEJSJORFLHFFSA-UHFFFAOYSA-N -1 0 633.724 6.858 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4ccccc4C(=O)[O-])o3)cc21 ZINC000409276998 1073325599 /nfs/dbraw/zinc/32/55/99/1073325599.db2.gz AIQRCUKMJUMHJG-UHFFFAOYSA-N -1 0 505.486 5.659 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1O[C@@H](C)C(=O)[O-] ZINC000409286802 1073344176 /nfs/dbraw/zinc/34/41/76/1073344176.db2.gz QUCOULXXYKDRIY-AWEZNQCLSA-N -1 0 545.901 5.478 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)o2)cc1Cl ZINC000409286356 1073349084 /nfs/dbraw/zinc/34/90/84/1073349084.db2.gz WALWIXOMJJNTOA-UHFFFAOYSA-N -1 0 509.905 6.304 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409283829 1073375379 /nfs/dbraw/zinc/37/53/79/1073375379.db2.gz QIEMCEZOKSRYHQ-UHFFFAOYSA-N -1 0 544.533 6.379 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn(Cc3ccc(C(=O)[O-])cc3)c3ccccc23)cc1C(C)C ZINC000409283610 1073376005 /nfs/dbraw/zinc/37/60/05/1073376005.db2.gz JQVYSLDFUFHTOV-UHFFFAOYSA-N -1 0 584.676 7.087 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br)C(=O)[O-] ZINC000409283422 1073379932 /nfs/dbraw/zinc/37/99/32/1073379932.db2.gz IXKOEGAFFJYUIB-CQSZACIVSA-N -1 0 611.246 6.069 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409283124 1073383324 /nfs/dbraw/zinc/38/33/24/1073383324.db2.gz QLVZDRSOEMRWJV-UHFFFAOYSA-N -1 0 599.825 6.003 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(Br)c2)cc1C(C)C ZINC000409282739 1073385894 /nfs/dbraw/zinc/38/58/94/1073385894.db2.gz QGUMEOPAZXQCEX-UHFFFAOYSA-N -1 0 689.006 8.469 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409282792 1073386619 /nfs/dbraw/zinc/38/66/19/1073386619.db2.gz QOYPNHDUSXFOGQ-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM O=C([O-])c1ccccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)o1 ZINC000409282457 1073389560 /nfs/dbraw/zinc/38/95/60/1073389560.db2.gz GYPZXCUWWCVWMP-UHFFFAOYSA-N -1 0 554.356 6.413 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409282417 1073392411 /nfs/dbraw/zinc/39/24/11/1073392411.db2.gz GSVHPUQOARITHO-UHFFFAOYSA-N -1 0 564.436 5.625 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409281743 1073397961 /nfs/dbraw/zinc/39/79/61/1073397961.db2.gz OARSYVYBDRSJKW-UHFFFAOYSA-N -1 0 655.221 5.962 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC000409281782 1073398396 /nfs/dbraw/zinc/39/83/96/1073398396.db2.gz OFBSILQGBAVMBE-UHFFFAOYSA-N -1 0 564.436 5.625 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2Br)c1 ZINC000409281618 1073399831 /nfs/dbraw/zinc/39/98/31/1073399831.db2.gz NBOCMVKTGRAJBW-UHFFFAOYSA-N -1 0 673.317 7.494 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634148 195479090 /nfs/dbraw/zinc/47/90/90/195479090.db2.gz RMUUYGKTQQLILV-IWIPYMOSSA-N -1 0 517.010 6.287 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCC(=O)OCC ZINC000408851300 195490082 /nfs/dbraw/zinc/49/00/82/195490082.db2.gz AZDXEJONCRFIBM-XNTDXEJSSA-N -1 0 598.302 5.258 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409050084 195498277 /nfs/dbraw/zinc/49/82/77/195498277.db2.gz YRAIBHGBZDQVLT-UHFFFAOYSA-N -1 0 689.416 7.700 40 30 KKEBRM O=C(OC1=C(c2ccc(O)cc2)C(=O)C(OC(=O)c2ccccc2)=C(c2ccc(O)cc2)C1=O)c1ccccc1 ZINC000001603967 551685861 /nfs/dbraw/zinc/68/58/61/551685861.db2.gz UFFCRNVIKXMYLJ-UHFFFAOYSA-N -1 0 532.504 5.086 40 30 KKEBRM [O-]C(=C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)N(O)c1ccccc1OCc1ccccc1 ZINC000001726682 551690579 /nfs/dbraw/zinc/69/05/79/551690579.db2.gz BGVDAMVBMZXMJW-UHFFFAOYSA-N -1 0 510.373 6.779 40 30 KKEBRM O=C(Oc1cc(Cl)ccc1Cl)c1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000001883689 551724919 /nfs/dbraw/zinc/72/49/19/551724919.db2.gz WATYECSEWAACSJ-FJEPWZHXSA-N -1 0 503.341 7.477 40 30 KKEBRM CCCOc1c(Br)cc(C=Nn2c(=S)[n-]nc2Cc2cccc3ccccc32)cc1OC ZINC000002632053 552140014 /nfs/dbraw/zinc/14/00/14/552140014.db2.gz KSFDCQQOAUKMDT-CVKSISIWSA-N -1 0 511.445 6.127 40 30 KKEBRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000004777870 552481600 /nfs/dbraw/zinc/48/16/00/552481600.db2.gz FTQDJVZNPJRVPG-MDJJVORWSA-N -1 0 512.731 6.983 40 30 KKEBRM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000005921339 552512708 /nfs/dbraw/zinc/51/27/08/552512708.db2.gz MIGSIQAGBLPGCE-JOCHJYFZSA-N -1 0 523.339 5.539 40 30 KKEBRM Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000006194645 552566316 /nfs/dbraw/zinc/56/63/16/552566316.db2.gz IPKBZTGRLSBJOP-FOKLQQMPSA-N -1 0 505.214 5.195 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000008789614 553145733 /nfs/dbraw/zinc/14/57/33/553145733.db2.gz ZPXHVNPZTXFIOI-XVBLZQJOSA-N -1 0 534.697 5.224 40 30 KKEBRM O=[N+]([O-])c1ccc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012600676 553401655 /nfs/dbraw/zinc/40/16/55/553401655.db2.gz OKPVAPBLFTYVNK-SSDVNMTOSA-N -1 0 510.315 5.057 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Cl)c(Cl)c1 ZINC000012621894 553403937 /nfs/dbraw/zinc/40/39/37/553403937.db2.gz VFHWUASUOXYMCO-ZMOGYAJESA-N -1 0 509.371 5.547 40 30 KKEBRM Cc1cc(N=NC(C)c2ccc(O)c(C)c2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000013548674 553469968 /nfs/dbraw/zinc/46/99/68/553469968.db2.gz PUNHTQUAWIWPSZ-BRJLIKDPSA-N -1 0 506.198 5.533 40 30 KKEBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cc(C(F)(F)F)ccc1Cl ZINC000013576798 553475064 /nfs/dbraw/zinc/47/50/64/553475064.db2.gz NRKSYVFQMIOKBW-PKAZHMFMSA-N -1 0 508.869 5.581 40 30 KKEBRM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@H]21 ZINC000070686712 553605576 /nfs/dbraw/zinc/60/55/76/553605576.db2.gz SEOJRLKLAQEBSW-JGVRRMDOSA-N -1 0 631.898 7.386 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000019898354 553632351 /nfs/dbraw/zinc/63/23/51/553632351.db2.gz UFRANKPBRUAPAQ-XMMPIXPASA-N -1 0 515.949 5.359 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000096022295 553720749 /nfs/dbraw/zinc/72/07/49/553720749.db2.gz XCXBZMQZXKZSPX-UCQKPKSFSA-N -1 0 519.377 5.003 40 30 KKEBRM Cc1ccc(-c2csc3ncnc(N=NCc4cc(Br)cc(Br)c4[O-])c23)cc1 ZINC000096022712 553722248 /nfs/dbraw/zinc/72/22/48/553722248.db2.gz ACFRRCXROGWADM-JAHAZDFLSA-N -1 0 518.234 6.343 40 30 KKEBRM C=CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027333004 553825602 /nfs/dbraw/zinc/82/56/02/553825602.db2.gz JKDXZLPXYYTPMX-JOCHJYFZSA-N -1 0 516.402 5.890 40 30 KKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032115534 553864668 /nfs/dbraw/zinc/86/46/68/553864668.db2.gz XERBBXXWMVIPQR-ZNLRHDTNSA-N -1 0 508.662 6.553 40 30 KKEBRM Cc1ccc(COc2ccc(C3C4=C(CCCC4=O)N(CC(=O)[O-])C4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000032116818 553865306 /nfs/dbraw/zinc/86/53/06/553865306.db2.gz MWDPLEOLEXYWES-UHFFFAOYSA-N -1 0 505.998 5.725 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2Br)cc1 ZINC000033683163 553967878 /nfs/dbraw/zinc/96/78/78/553967878.db2.gz DYUDLTKHKSBRRO-OPVMPGTRSA-N -1 0 505.712 5.129 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccc3c(c2)Nc2ccccc2S3)c([N+](=O)[O-])c1 ZINC000097980711 553990565 /nfs/dbraw/zinc/99/05/65/553990565.db2.gz RQUDJYYYKRBHBS-RHANQZHGSA-N -1 0 561.645 6.449 40 30 KKEBRM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000097980715 553990621 /nfs/dbraw/zinc/99/06/21/553990621.db2.gz PFKWNSUQVHYADF-XHPQRKPJSA-N -1 0 524.933 5.877 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1OCc1ccccc1 ZINC000035656718 554062007 /nfs/dbraw/zinc/06/20/07/554062007.db2.gz DVMOJYZIYWWJMO-CIKNCDAESA-N -1 0 502.592 5.986 40 30 KKEBRM CC(C)(C)c1csc(-n2[n-]c(-c3ccc([N+](=O)[O-])cc3)c(N=Nc3ccccc3C(F)(F)F)c2=O)n1 ZINC000100074937 554203828 /nfs/dbraw/zinc/20/38/28/554203828.db2.gz FNTDKGSARWUEIW-VUTHCHCSSA-N -1 0 516.505 5.587 40 30 KKEBRM C[C@@H](Sc1nc2ccc(/N=C/c3cc(Br)c([O-])c(Br)c3)cc2s1)C(=O)Nc1nccs1 ZINC000100097358 554218954 /nfs/dbraw/zinc/21/89/54/554218954.db2.gz NOMJENMTAUSRGE-CTWDJJQWSA-N -1 0 598.367 6.853 40 30 KKEBRM Cc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C(=O)c5ccccc5)cc4)c3=O)n2)cc1 ZINC000100135657 554226626 /nfs/dbraw/zinc/22/66/26/554226626.db2.gz SACSDTVRNMSLIW-OZMGXUMRSA-N -1 0 586.633 6.477 40 30 KKEBRM Cc1cccc(N=Nc2c(=O)n(-c3nc(-c4ccc(Br)cc4)cs3)[n-]c2-c2ccccc2)c1C ZINC000100146677 554230379 /nfs/dbraw/zinc/23/03/79/554230379.db2.gz NYEOGRULWNYMNX-BGABXYSRSA-N -1 0 530.451 6.408 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000038180043 554273932 /nfs/dbraw/zinc/27/39/32/554273932.db2.gz HOAKWJOBGYLKFL-BKWZTHLVSA-N -1 0 505.574 7.964 40 30 KKEBRM COc1ccc(-c2sc(/N=C\c3cc(Br)cc(Br)c3[O-])c(C#N)c2C)cc1OC ZINC000100302468 554292010 /nfs/dbraw/zinc/29/20/10/554292010.db2.gz VVQVYVXBYATDGG-MRUKODCESA-N -1 0 536.245 6.594 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000059135575 554381641 /nfs/dbraw/zinc/38/16/41/554381641.db2.gz WVXVZOQWAOFCQM-HYARGMPZSA-N -1 0 520.944 6.302 40 30 KKEBRM Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059247903 554386845 /nfs/dbraw/zinc/38/68/45/554386845.db2.gz NVWKKWXETLLGCL-VTNSRFBWSA-N -1 0 525.674 7.352 40 30 KKEBRM Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3s2)c(C)c1 ZINC000059461301 554396244 /nfs/dbraw/zinc/39/62/44/554396244.db2.gz XRMWWGZIQSKLEM-RPPGKUMJSA-N -1 0 506.609 6.317 40 30 KKEBRM C[C@@H](SC(=Nc1ccccc1)N(C)Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC000100470060 554398640 /nfs/dbraw/zinc/39/86/40/554398640.db2.gz ISXQXCFHZGXPNH-MRXNPFEDSA-O -1 0 563.335 5.903 40 30 KKEBRM COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4[O-])ccc3o2)cc1Br ZINC000100501313 554405808 /nfs/dbraw/zinc/40/58/08/554405808.db2.gz FHUACVOACCUYTN-KIBLKLHPSA-N -1 0 536.607 7.138 40 30 KKEBRM COc1ccc(CN=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)c(OC)c1 ZINC000100506623 554407842 /nfs/dbraw/zinc/40/78/42/554407842.db2.gz LVJCWYNAOQRZJM-AUEPDCJTSA-N -1 0 522.197 5.146 40 30 KKEBRM CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000059608516 554411303 /nfs/dbraw/zinc/41/13/03/554411303.db2.gz ROEPMFZMLAVZHD-UHFFFAOYSA-N -1 0 529.589 6.572 40 30 KKEBRM CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000100700866 554451669 /nfs/dbraw/zinc/45/16/69/554451669.db2.gz TXBSKHAJHWQOAB-QLTSDVKISA-N -1 0 506.691 8.882 40 30 KKEBRM O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1Br)c1ccccc1 ZINC000100924493 554523381 /nfs/dbraw/zinc/52/33/81/554523381.db2.gz WFYBNFKKYFJNMO-FOKLQQMPSA-N -1 0 519.149 5.828 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938076 554531322 /nfs/dbraw/zinc/53/13/22/554531322.db2.gz WXYPATMNHLQPGM-RJRBAZHUSA-N -1 0 523.954 5.759 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100937971 554531371 /nfs/dbraw/zinc/53/13/71/554531371.db2.gz ZGQRQPHFXWREJN-CTMKFROTSA-N -1 0 601.906 7.012 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938833 554531607 /nfs/dbraw/zinc/53/16/07/554531607.db2.gz HGNBPPUEHYGJRH-RJRBAZHUSA-N -1 0 568.405 5.868 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100938832 554531616 /nfs/dbraw/zinc/53/16/16/554531616.db2.gz ZYDVDUQJKUSZNZ-BXBQQLAMSA-N -1 0 557.455 6.903 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938804 554531656 /nfs/dbraw/zinc/53/16/56/554531656.db2.gz UDUXUIRSSIAGPR-LGUMZPBXSA-N -1 0 573.468 7.113 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100939496 554531878 /nfs/dbraw/zinc/53/18/78/554531878.db2.gz BGICJNPAEGSZJT-RBCJLTSXSA-N -1 0 553.434 5.969 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100939747 554531887 /nfs/dbraw/zinc/53/18/87/554531887.db2.gz MTQBZTGOMBUISE-ZQQCWGMFSA-N -1 0 523.408 5.960 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000100940194 554532162 /nfs/dbraw/zinc/53/21/62/554532162.db2.gz SONDNTJYAOAFPR-SLOBHAQXSA-N -1 0 567.461 6.277 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC ZINC000101014899 554559104 /nfs/dbraw/zinc/55/91/04/554559104.db2.gz BPIWNGBMNKYYOG-BAYXNVEISA-N -1 0 507.718 6.669 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1OC ZINC000101014994 554559368 /nfs/dbraw/zinc/55/93/68/554559368.db2.gz COXZKOOGKBQRHB-QXVUCPDHSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015202 554559514 /nfs/dbraw/zinc/55/95/14/554559514.db2.gz UDVCUWHLTZLZBS-LNLQUNOZSA-N -1 0 521.745 7.058 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OCC ZINC000101015155 554559533 /nfs/dbraw/zinc/55/95/33/554559533.db2.gz KORSKBMCGIDPNK-WBWFXSCKSA-N -1 0 591.880 9.010 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OCC ZINC000101015249 554559732 /nfs/dbraw/zinc/55/97/32/554559732.db2.gz VLQVZKAZTABFKA-MWHZFGPKSA-N -1 0 555.762 7.110 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101015292 554560016 /nfs/dbraw/zinc/56/00/16/554560016.db2.gz AIZCEILBCLITCZ-HLNOYYKJSA-N -1 0 527.708 7.317 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OCC ZINC000101015286 554560037 /nfs/dbraw/zinc/56/00/37/554560037.db2.gz RUOMYQRXMAAJIS-XVLPRMFPSA-N -1 0 536.716 5.133 40 30 KKEBRM Cc1cc(C)n(-c2nc(N=NCc3cc(Br)c([O-])c(Br)c3)nc(Nc3ccc(Cl)cc3)n2)n1 ZINC000101537889 554795501 /nfs/dbraw/zinc/79/55/01/554795501.db2.gz OAIPQKBVVAEUSN-KIBLKLHPSA-N -1 0 592.683 5.748 40 30 KKEBRM CO/N=C(\C(=O)[O-])c1csc(NC(=O)Cn2c(-c3cccs3)cc(-c3cccs3)cc2=S)n1 ZINC000101669092 554822855 /nfs/dbraw/zinc/82/28/55/554822855.db2.gz PRMOKMDVVVQGCQ-CLCOLTQESA-N -1 0 516.651 5.205 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N\c1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000102463165 554935476 /nfs/dbraw/zinc/93/54/76/554935476.db2.gz NPHVEVGEIMGNJA-VYYCAZPPSA-N -1 0 521.212 7.136 40 30 KKEBRM CCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])c(OCCC)c1 ZINC000102971086 555181695 /nfs/dbraw/zinc/18/16/95/555181695.db2.gz MRWMDIFIAVBZGA-OVVQPSECSA-N -1 0 542.614 5.428 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3Cl)o2)c(C)c1 ZINC000102980331 555187324 /nfs/dbraw/zinc/18/73/24/555187324.db2.gz PAQPKKOUJLJZGS-JFLMPSFJSA-N -1 0 524.986 6.372 40 30 KKEBRM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000102980378 555187409 /nfs/dbraw/zinc/18/74/09/555187409.db2.gz ZFPMFMBNJBYUSF-CCVNUDIWSA-N -1 0 557.007 5.745 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000102983901 555189658 /nfs/dbraw/zinc/18/96/58/555189658.db2.gz NJULEYJYDJFSHD-MTDXEUNCSA-N -1 0 532.578 5.429 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1Br ZINC000102984126 555189835 /nfs/dbraw/zinc/18/98/35/555189835.db2.gz BQVCNQHJPNBRTN-OEAKJJBVSA-N -1 0 519.377 5.003 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000102984143 555190019 /nfs/dbraw/zinc/19/00/19/555190019.db2.gz HWEGVEGOGXBIKW-RDRPBHBLSA-N -1 0 562.604 5.438 40 30 KKEBRM CCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103654673 555461333 /nfs/dbraw/zinc/46/13/33/555461333.db2.gz BTZLOWXUIJOJSD-UHFFFAOYSA-N -1 0 599.259 5.080 40 30 KKEBRM [O-]c1c(Br)cc(/C=N/c2ccc3nc(SCc4c(Cl)cccc4Cl)sc3c2)cc1Br ZINC000103746570 555466744 /nfs/dbraw/zinc/46/67/44/555466744.db2.gz YVWJYAIWWCPOCZ-JQAMDZJQSA-N -1 0 603.188 8.877 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103754637 555468812 /nfs/dbraw/zinc/46/88/12/555468812.db2.gz ZDISXTASOAXJNM-KIBLKLHPSA-N -1 0 533.418 6.698 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)[N-]C6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000150587075 562845917 /nfs/dbraw/zinc/84/59/17/562845917.db2.gz WJRJONZDINDKQJ-VODGBSGLSA-N -1 0 695.967 7.288 40 30 KKEBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)C2=O)c1 ZINC000103841736 571362428 /nfs/dbraw/zinc/36/24/28/571362428.db2.gz JWBBYJGGDBIRLI-WSDLNYQXSA-N -1 0 620.456 5.372 40 30 KKEBRM C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000103842644 571362507 /nfs/dbraw/zinc/36/25/07/571362507.db2.gz CVQPJPGDTBRTLR-LQKURTRISA-N -1 0 550.655 5.570 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000103842424 571362559 /nfs/dbraw/zinc/36/25/59/571362559.db2.gz BBYXORZAIDVAAE-IIDKFWLGSA-N -1 0 609.542 7.245 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103843659 571362783 /nfs/dbraw/zinc/36/27/83/571362783.db2.gz HNOVWFDAGPRLCS-UUNHGKJBSA-N -1 0 529.456 5.767 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000103850614 571364596 /nfs/dbraw/zinc/36/45/96/571364596.db2.gz GJTXGDVKHZMDHS-FYJGNVAPSA-N -1 0 569.814 6.216 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103850624 571364632 /nfs/dbraw/zinc/36/46/32/571364632.db2.gz NNRNCOZVDAXARL-RGVLZGJSSA-N -1 0 604.259 6.869 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103852930 571365631 /nfs/dbraw/zinc/36/56/31/571365631.db2.gz XOUKSJJQPVXFEH-DEDYPNTBSA-N -1 0 596.434 5.635 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103852988 571365797 /nfs/dbraw/zinc/36/57/97/571365797.db2.gz WGOWRSKNGODYTF-XDHOZWIPSA-N -1 0 571.457 6.280 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000103858239 571366600 /nfs/dbraw/zinc/36/66/00/571366600.db2.gz WRXYHKJSLYCTPC-LFVJCYFKSA-N -1 0 561.432 5.822 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000103858976 571366941 /nfs/dbraw/zinc/36/69/41/571366941.db2.gz DAKFTXPIWKFTOM-VXLYETTFSA-N -1 0 523.412 5.073 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000103859499 571367143 /nfs/dbraw/zinc/36/71/43/571367143.db2.gz ZKBGIPKZONOZHG-WPWMEQJKSA-N -1 0 597.465 6.585 40 30 KKEBRM Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103875350 571368391 /nfs/dbraw/zinc/36/83/91/571368391.db2.gz GCMXNXMQTNKLBH-KPGMTVGESA-N -1 0 546.092 7.697 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000103903829 571369079 /nfs/dbraw/zinc/36/90/79/571369079.db2.gz UYECDEIHIAKGMW-IZFVKCGISA-N -1 0 577.102 7.563 40 30 KKEBRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](CO)O1 ZINC000104058616 571371872 /nfs/dbraw/zinc/37/18/72/571371872.db2.gz PFEQIEUTCKQPGL-RVBSEAAZSA-N -1 0 616.836 5.266 40 30 KKEBRM CCCCCCCCCCCCC/C=C\C[C@H](CC(=O)[O-])C(=O)Nc1ccc(-n2c(=O)cc(C)n2C)cc1 ZINC000104140585 571374707 /nfs/dbraw/zinc/37/47/07/571374707.db2.gz XDZUTQBXQSQVPT-VNBGQBMQSA-N -1 0 525.734 7.161 40 30 KKEBRM CCCCCCCCCCCCC/C=C/C[C@H](CC(=O)[O-])C(=O)Nc1cccc(-c2cc(=O)n(-c3ccccc3)n2C)c1 ZINC000104140631 571374737 /nfs/dbraw/zinc/37/47/37/571374737.db2.gz PVWYJWDOQBNIPB-YRIRERNBSA-N -1 0 587.805 8.520 40 30 KKEBRM CO[C@H](C(=O)c1c(=O)c2c(c3c(O)c4c([O-])cc5c(c4oc1-3)C=CC(C)(C)O5)CCCC2)[C@@H](C)CCC=C(C)C ZINC000104194994 571376597 /nfs/dbraw/zinc/37/65/97/571376597.db2.gz MMYDZXDNKCPDCM-KOJRWILQSA-N -1 0 546.660 6.442 40 30 KKEBRM O=S(=O)([N-]c1ccnn1-c1ccccc1)c1ccc(/N=C\c2c3ccccc3nc3cc(Cl)ccc23)cc1 ZINC000104268881 571378122 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/nfs/dbraw/zinc/46/83/00/571468300.db2.gz BSHVCIOOXBCEFX-UHFFFAOYSA-N -1 0 705.799 9.403 40 30 KKEBRM C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000150398585 571477308 /nfs/dbraw/zinc/47/73/08/571477308.db2.gz YWLYGSSMGSIXLN-LQYNQDDKSA-N -1 0 670.851 5.120 40 30 KKEBRM Cc1ccc(NC(=O)[C@@H](CCCNC(=NC(=O)OCc2ccccc2)[N-]C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1C ZINC000150456796 571504834 /nfs/dbraw/zinc/50/48/34/571504834.db2.gz VGFWJXGFOBSZKY-MGBGTMOVSA-N -1 0 679.774 6.526 40 30 KKEBRM COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1 ZINC000150468614 571508407 /nfs/dbraw/zinc/50/84/07/571508407.db2.gz WIXIMORHZFNECE-KIBLKLHPSA-N -1 0 703.321 7.171 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1OC ZINC000150624791 571523684 /nfs/dbraw/zinc/52/36/84/571523684.db2.gz ALPXJRWSMLHJDW-XIFFEERXSA-N -1 0 711.862 8.217 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000164309937 571545391 /nfs/dbraw/zinc/54/53/91/571545391.db2.gz FLAHQCLTZSACKJ-RTXYEHARSA-N -1 0 767.483 9.264 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164452073 571547923 /nfs/dbraw/zinc/54/79/23/571547923.db2.gz IQLHHKMWGGHMAC-RIYZIHGNSA-N -1 0 632.046 5.047 40 30 KKEBRM Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c([O-])c(I)c4)cc3s2)c(C)c1 ZINC000164522265 571549284 /nfs/dbraw/zinc/54/92/84/571549284.db2.gz AFYROOGDZJDQRX-IPBVOBEMSA-N -1 0 713.404 7.618 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)c([O-])c(I)c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000164706394 571550808 /nfs/dbraw/zinc/55/08/08/571550808.db2.gz BFBAMXGVHJMMFA-KIBLKLHPSA-N -1 0 716.320 6.601 40 30 KKEBRM CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCC(=O)[O-] ZINC000220111682 571603950 /nfs/dbraw/zinc/60/39/50/571603950.db2.gz NYYSLMWNYAMUTQ-UHFFFAOYSA-N -1 0 518.776 6.806 40 30 KKEBRM CCCN(CCC)N=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263604133 572129399 /nfs/dbraw/zinc/12/93/99/572129399.db2.gz OHZIICRATCCRFN-LSHQPIEKSA-N -1 0 823.981 6.210 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408528028 572162420 /nfs/dbraw/zinc/16/24/20/572162420.db2.gz CAUMPDFCYLCQHM-UCQKPKSFSA-N -1 0 508.983 5.908 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408531214 572175055 /nfs/dbraw/zinc/17/50/55/572175055.db2.gz LGUPGJCTZAYPQA-BXHPTCRHSA-N -1 0 530.389 6.815 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408531377 572175495 /nfs/dbraw/zinc/17/54/95/572175495.db2.gz PQXQYMQXQJYETC-BGGVGALWSA-N -1 0 653.971 9.131 40 30 KKEBRM O=C([O-])c1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408533367 572183208 /nfs/dbraw/zinc/18/32/08/572183208.db2.gz YEOIRBVKEHQBSU-UQLAIIKNSA-N -1 0 506.583 6.772 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408533564 572183634 /nfs/dbraw/zinc/18/36/34/572183634.db2.gz YZNMXPGEWSONAS-HMAPJEAMSA-N -1 0 508.983 5.908 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408535047 572187509 /nfs/dbraw/zinc/18/75/09/572187509.db2.gz XJDCTUKAXJBRQV-AVFFQYQTSA-N -1 0 527.429 6.882 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000408536867 572192775 /nfs/dbraw/zinc/19/27/75/572192775.db2.gz BNUBXCZBDOGZEC-XDHOZWIPSA-N -1 0 537.871 7.361 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408537608 572195126 /nfs/dbraw/zinc/19/51/26/572195126.db2.gz GGAARFTULMBUCV-UYRXBGFRSA-N -1 0 612.746 7.271 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408538102 572196975 /nfs/dbraw/zinc/19/69/75/572196975.db2.gz JBTQSYKPEWEOJR-QNGOZBTKSA-N -1 0 559.457 5.959 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408538358 572198236 /nfs/dbraw/zinc/19/82/36/572198236.db2.gz LNHCOFSTQOJURZ-QJOMJCCJSA-N -1 0 527.459 6.472 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000408538489 572198495 /nfs/dbraw/zinc/19/84/95/572198495.db2.gz NTUXOFFGLOSKSU-OQKWZONESA-N -1 0 529.431 5.863 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408538681 572199232 /nfs/dbraw/zinc/19/92/32/572199232.db2.gz PALLIFPETLLRAK-CJLVFECKSA-N -1 0 513.034 6.453 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408538728 572199565 /nfs/dbraw/zinc/19/95/65/572199565.db2.gz PUJJSCOPJSEOOG-KGENOOAVSA-N -1 0 591.930 7.215 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1Br ZINC000408539143 572200999 /nfs/dbraw/zinc/20/09/99/572200999.db2.gz UEGPXNVRCXKOMQ-RCCKNPSSSA-N -1 0 622.354 7.016 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408539367 572201960 /nfs/dbraw/zinc/20/19/60/572201960.db2.gz WATACOZOLMAFQL-UNOMPAQXSA-N -1 0 534.396 6.307 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408539809 572203406 /nfs/dbraw/zinc/20/34/06/572203406.db2.gz ZBMGJEAUCUWGDD-KQWNVCNZSA-N -1 0 527.061 6.761 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408539865 572203658 /nfs/dbraw/zinc/20/36/58/572203658.db2.gz ZPYWLFCBFYYCJX-JWGURIENSA-N -1 0 509.559 5.399 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408540198 572205125 /nfs/dbraw/zinc/20/51/25/572205125.db2.gz ONMOOYVAOGBWAF-RCCKNPSSSA-N -1 0 503.426 6.708 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408540574 572206133 /nfs/dbraw/zinc/20/61/33/572206133.db2.gz UCSUUCGWFWWRQN-SILNSSARSA-N -1 0 547.877 6.817 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408540798 572206835 /nfs/dbraw/zinc/20/68/35/572206835.db2.gz VZDHTDJOHSRPDZ-RGEXLXHISA-N -1 0 594.369 6.782 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)SC1=Nc1ccccc1 ZINC000408541237 572207870 /nfs/dbraw/zinc/20/78/70/572207870.db2.gz FLDDNHRICTXWAZ-CJUPBPKFSA-N -1 0 515.591 5.621 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)SC1=Nc1ccccc1 ZINC000408541304 572208370 /nfs/dbraw/zinc/20/83/70/572208370.db2.gz FVLGMDRTJXNRGS-CJUPBPKFSA-N -1 0 515.591 5.621 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccc(Br)cc4)NC3=O)c3ccccc32)o1 ZINC000408542296 572210107 /nfs/dbraw/zinc/21/01/07/572210107.db2.gz KKSCWFYNZAOSEB-NHDPSOOVSA-N -1 0 522.380 5.635 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccccc3I)SC2=Nc2ccccc2)cc1 ZINC000408549908 572232703 /nfs/dbraw/zinc/23/27/03/572232703.db2.gz BJDOSRDZPFWVMX-UDYULTBOSA-N -1 0 540.382 5.794 40 30 KKEBRM O=C(C1=C(O)C(=Cc2cc(I)c([O-])c(I)c2)CCCC1)C(F)(F)F ZINC000408563571 572249547 /nfs/dbraw/zinc/24/95/47/572249547.db2.gz OHGZTEOVMHDPHI-LFKWHJGZSA-N -1 0 564.079 5.502 40 30 KKEBRM C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@H]1O ZINC000252394292 572260268 /nfs/dbraw/zinc/26/02/68/572260268.db2.gz FMRFCBBDHDGKKZ-MCLNGMQUSA-N -1 0 600.837 6.294 40 30 KKEBRM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1cc(I)c([O-])c(I)c1 ZINC000252695228 572281910 /nfs/dbraw/zinc/28/19/10/572281910.db2.gz WQQQSPMUCRLDSK-SZERETFISA-N -1 0 658.362 6.700 40 30 KKEBRM CCn1c(S/C(=C\c2cc(Cl)ccc2OCc2ccc(C#N)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631260 572287311 /nfs/dbraw/zinc/28/73/11/572287311.db2.gz CRTDSZFKPGREEU-OYKKKHCWSA-N -1 0 551.455 6.940 40 30 KKEBRM C=CCOc1c(I)cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1I ZINC000408631952 572288291 /nfs/dbraw/zinc/28/82/91/572288291.db2.gz BONRFWSUACOYDI-YBEGLDIGSA-N -1 0 665.678 6.117 40 30 KKEBRM C#CCOc1c(I)cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OC ZINC000408632537 572289004 /nfs/dbraw/zinc/28/90/04/572289004.db2.gz JMUVJNDVGQUYJE-ZDLGFXPLSA-N -1 0 598.802 5.242 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2OCc2ccccc2C#N)C(=O)[O-])o1 ZINC000408633193 572289845 /nfs/dbraw/zinc/28/98/45/572289845.db2.gz MDZZHHJFWVRJQZ-FMCGGJTJSA-N -1 0 519.966 6.067 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1OC ZINC000408633560 572290300 /nfs/dbraw/zinc/29/03/00/572290300.db2.gz KNTKRKZNWJJUCA-BOPFTXTBSA-N -1 0 523.792 5.944 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633586 572290402 /nfs/dbraw/zinc/29/04/02/572290402.db2.gz OAOJDOBRXGTIRF-IWIPYMOSSA-N -1 0 517.010 6.287 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Br ZINC000408633687 572290511 /nfs/dbraw/zinc/29/05/11/572290511.db2.gz LMWGNBPITZKDAO-YBEGLDIGSA-N -1 0 572.662 6.698 40 30 KKEBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)ccc3OCc3ccccc3C#N)C(=O)[O-])o2)c1 ZINC000408634486 572291511 /nfs/dbraw/zinc/29/15/11/572291511.db2.gz VESJUHIKLPDRTK-MSXFZWOLSA-N -1 0 594.443 6.185 40 30 KKEBRM C=CCOc1c(I)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1I ZINC000408635134 572292205 /nfs/dbraw/zinc/29/22/05/572292205.db2.gz ZEZNUDJBDYHPON-JMIUGGIZSA-N -1 0 719.339 5.974 40 30 KKEBRM O=C([O-])[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000103542012 1069711265 /nfs/dbraw/zinc/71/12/65/1069711265.db2.gz ZBFKFORIBRGANM-UWTATZPHSA-N -1 0 530.077 5.647 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OCC ZINC000106897438 1069716191 /nfs/dbraw/zinc/71/61/91/1069716191.db2.gz NIIAVQAMQFANCK-MOWYTJSFSA-N -1 0 521.745 7.059 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408946601 1069761618 /nfs/dbraw/zinc/76/16/18/1069761618.db2.gz PDTVROBRJKRHCC-ZBKNUEDVSA-N -1 0 520.825 6.644 40 30 KKEBRM N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408951147 1069762833 /nfs/dbraw/zinc/76/28/33/1069762833.db2.gz LUOFKQBHXGJFSP-OKCVXOCRSA-N -1 0 557.650 6.271 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)cc2Br)cc1 ZINC000408769387 1069876424 /nfs/dbraw/zinc/87/64/24/1069876424.db2.gz SPLVKDYNRUTRPE-GRSHGNNSSA-N -1 0 612.716 7.578 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408779570 1069900751 /nfs/dbraw/zinc/90/07/51/1069900751.db2.gz YQANMYKDXAQPRS-RDRPBHBLSA-N -1 0 546.623 6.439 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408785922 1069915436 /nfs/dbraw/zinc/91/54/36/1069915436.db2.gz JVORGLSJHBXULN-WGOQTCKBSA-N -1 0 510.590 5.594 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408789132 1069917659 /nfs/dbraw/zinc/91/76/59/1069917659.db2.gz JNTZWDZRMJWKOA-HYARGMPZSA-N -1 0 537.399 5.976 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408794164 1069926374 /nfs/dbraw/zinc/92/63/74/1069926374.db2.gz IADXCGJPDMQONM-SILRWXEESA-N -1 0 513.402 6.504 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408795922 1069928789 /nfs/dbraw/zinc/92/87/89/1069928789.db2.gz MZWYBYWDOYGBCL-SLOBHAQXSA-N -1 0 614.461 6.119 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792187 1069930953 /nfs/dbraw/zinc/93/09/53/1069930953.db2.gz JFSJIENNPXOTEX-VRAFJUTDSA-N -1 0 639.298 7.109 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408799336 1069934508 /nfs/dbraw/zinc/93/45/08/1069934508.db2.gz YOUBATVDAYYAPH-HSHBOIIWSA-N -1 0 578.444 5.840 40 30 KKEBRM C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408823063 1069985720 /nfs/dbraw/zinc/98/57/20/1069985720.db2.gz CGSRIBQLCYJTPR-BUVRLJJBSA-N -1 0 563.404 5.268 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000408820944 1069995171 /nfs/dbraw/zinc/99/51/71/1069995171.db2.gz ASRWJPYSWYUZCI-SRZZPIQSSA-N -1 0 585.827 5.913 40 30 KKEBRM C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408821349 1069996902 /nfs/dbraw/zinc/99/69/02/1069996902.db2.gz GNHXRWDYAVYCRV-OVVQPSECSA-N -1 0 536.971 5.751 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OCC ZINC000408827337 1070006095 /nfs/dbraw/zinc/00/60/95/1070006095.db2.gz CRVOHOJDPCDRDZ-HYARGMPZSA-N -1 0 611.876 6.311 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408824460 1070009866 /nfs/dbraw/zinc/00/98/66/1070009866.db2.gz HSJBCJUHNIXOPV-JNLVJSROSA-N -1 0 718.648 7.957 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)cc2)c1 ZINC000408830094 1070017307 /nfs/dbraw/zinc/01/73/07/1070017307.db2.gz RDAFCUNQHHRRGQ-APTWKGOFSA-N -1 0 524.642 6.585 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1Cl ZINC000408830424 1070017990 /nfs/dbraw/zinc/01/79/90/1070017990.db2.gz YJFINWXONOHWTQ-HYARGMPZSA-N -1 0 521.356 5.251 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Br ZINC000408836895 1070028971 /nfs/dbraw/zinc/02/89/71/1070028971.db2.gz WTRBCHDEMXXONO-CIAFOILYSA-N -1 0 600.252 6.013 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408833523 1070030792 /nfs/dbraw/zinc/03/07/92/1070030792.db2.gz TVPRRBGCPNRZSA-VSXUNDGWSA-N -1 0 658.154 6.905 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408846235 1070053344 /nfs/dbraw/zinc/05/33/44/1070053344.db2.gz HTMPFXQYMUMTBB-DEDYPNTBSA-N -1 0 571.457 6.280 40 30 KKEBRM O=C(Nc1ccccc1)c1c(/N=C\c2cc(I)c([O-])c(I)c2)sc2c1CCCC2 ZINC000408849723 1070062730 /nfs/dbraw/zinc/06/27/30/1070062730.db2.gz YRKRHJFNJYSKRH-ROTLSHHCSA-N -1 0 628.273 6.545 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408849510 1070062856 /nfs/dbraw/zinc/06/28/56/1070062856.db2.gz WLGLQNABTAEOQI-KGENOOAVSA-N -1 0 585.484 6.670 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000408849610 1070063019 /nfs/dbraw/zinc/06/30/19/1070063019.db2.gz XDPQVMAOSGJBOC-UKTHLTGXSA-N -1 0 556.265 5.551 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408866843 1070087068 /nfs/dbraw/zinc/08/70/68/1070087068.db2.gz IWDDMRPXPWWKBD-BUGKFGNISA-N -1 0 577.472 6.387 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1c(C)cccc1C ZINC000408905798 1070178962 /nfs/dbraw/zinc/17/89/62/1070178962.db2.gz DYUPDNJFGOHBHU-XFNLHSONSA-N -1 0 604.251 5.842 40 30 KKEBRM C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccccc1 ZINC000408905807 1070179037 /nfs/dbraw/zinc/17/90/37/1070179037.db2.gz FAJZQFMZERPGAF-RLFOYFQOSA-N -1 0 558.295 7.282 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C(=O)N1CC ZINC000408915680 1070217334 /nfs/dbraw/zinc/21/73/34/1070217334.db2.gz ZJHDRRRUOXZFMK-NVHABHRXSA-N -1 0 519.417 5.107 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408918505 1070231992 /nfs/dbraw/zinc/23/19/92/1070231992.db2.gz LGFHTJUAORAMBT-RUHATYICSA-N -1 0 712.449 9.236 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OC ZINC000408931539 1070243639 /nfs/dbraw/zinc/24/36/39/1070243639.db2.gz MYDRGXBJQYWVDZ-TXOYAAFXSA-N -1 0 518.591 5.605 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931911 1070247564 /nfs/dbraw/zinc/24/75/64/1070247564.db2.gz RZEWCTLWDMODGH-OTACCIFUSA-N -1 0 677.548 7.687 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4ccc(F)cc4)c(I)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408930812 1070261093 /nfs/dbraw/zinc/26/10/93/1070261093.db2.gz CJFDUBOSKDIUDT-IAPUUSCPSA-N -1 0 602.425 6.250 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408930814 1070261291 /nfs/dbraw/zinc/26/12/91/1070261291.db2.gz CJMJCUBSRCOHDM-QITZVISUSA-N -1 0 567.461 6.277 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3c(OC)ccc4ccccc43)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933171 1070264859 /nfs/dbraw/zinc/26/48/59/1070264859.db2.gz IBZGJLJIHYTTJE-IKFAVLQYSA-N -1 0 524.598 6.359 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408935809 1070274567 /nfs/dbraw/zinc/27/45/67/1070274567.db2.gz NVQNNMYLALGMOP-QNQJOHRQSA-N -1 0 532.618 5.995 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Br)ccc3OCc3ccc4ccccc4c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408932037 1070279129 /nfs/dbraw/zinc/27/91/29/1070279129.db2.gz AYLPNMRHJBBQPX-JQDPYBPBSA-N -1 0 587.495 7.422 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2cc(Br)c([O-])c(I)c2)S/C1=N\c1ccccc1 ZINC000408940510 1070286427 /nfs/dbraw/zinc/28/64/27/1070286427.db2.gz UVEGOGQCSFAWGX-NSMLSGJHSA-N -1 0 573.250 5.400 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(O)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408943876 1070305637 /nfs/dbraw/zinc/30/56/37/1070305637.db2.gz ZJSVEVQBJMTRJN-YDJCETBWSA-N -1 0 569.433 5.674 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408961465 1070327021 /nfs/dbraw/zinc/32/70/21/1070327021.db2.gz MMPGFGOYZFDQKW-CIAFOILYSA-N -1 0 557.397 5.766 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408962142 1070327833 /nfs/dbraw/zinc/32/78/33/1070327833.db2.gz QHGGTBDFQSIZKY-LPYMAVHISA-N -1 0 616.433 5.477 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408966018 1070331402 /nfs/dbraw/zinc/33/14/02/1070331402.db2.gz MLROPKXRSUSVKT-RGVLZGJSSA-N -1 0 655.297 6.775 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408985459 1070346320 /nfs/dbraw/zinc/34/63/20/1070346320.db2.gz WXDGMOXDPQALNJ-HAHDFKILSA-N -1 0 579.878 6.639 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408992839 1070355398 /nfs/dbraw/zinc/35/53/98/1070355398.db2.gz URHBODFKZIOSGN-UUYOSTAYSA-N -1 0 610.848 6.293 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408992845 1070356002 /nfs/dbraw/zinc/35/60/02/1070356002.db2.gz URWYLNBZRXANSZ-ONUIUJJFSA-N -1 0 636.486 6.226 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000408996512 1070365604 /nfs/dbraw/zinc/36/56/04/1070365604.db2.gz IKUMOFUSXOTWTH-HAHDFKILSA-N -1 0 657.482 6.121 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408994356 1070370625 /nfs/dbraw/zinc/37/06/25/1070370625.db2.gz YVXDAXQEZNDIGE-ONUIUJJFSA-N -1 0 510.590 5.540 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409013754 1070386655 /nfs/dbraw/zinc/38/66/55/1070386655.db2.gz VBUNFSGWYWLNTM-BYVRFLJOSA-N -1 0 531.815 6.685 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccccc2Cl)C2=C1CCCC2=O ZINC000409058758 1070471367 /nfs/dbraw/zinc/47/13/67/1070471367.db2.gz SWJWWGBSECJORJ-UHFFFAOYSA-N -1 0 649.763 6.942 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409054051 1070474102 /nfs/dbraw/zinc/47/41/02/1070474102.db2.gz QPZRSXIKJSDCNH-YBEGLDIGSA-N -1 0 567.255 5.087 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000409064695 1070481185 /nfs/dbraw/zinc/48/11/85/1070481185.db2.gz FHXADLSTVPUWFG-UHFFFAOYSA-N -1 0 516.034 5.605 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1O ZINC000409067160 1070483215 /nfs/dbraw/zinc/48/32/15/1070483215.db2.gz PJEIRTGKMOJJBM-UHFFFAOYSA-N -1 0 521.654 5.680 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409066719 1070483276 /nfs/dbraw/zinc/48/32/76/1070483276.db2.gz CHVBERPAYSEIKQ-YDZHTSKRSA-N -1 0 547.951 5.231 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409076373 1070490900 /nfs/dbraw/zinc/49/09/00/1070490900.db2.gz BALHIGIKUCTSTD-HZHRSRAPSA-N -1 0 561.978 5.621 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409070697 1070496304 /nfs/dbraw/zinc/49/63/04/1070496304.db2.gz OPDPYFUWOINXJX-UHFFFAOYSA-N -1 0 630.513 5.114 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409069906 1070495743 /nfs/dbraw/zinc/49/57/43/1070495743.db2.gz JXGKQXURQKTLBN-UHFFFAOYSA-N -1 0 612.144 6.186 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409071192 1070497199 /nfs/dbraw/zinc/49/71/99/1070497199.db2.gz INVPXLQIDZRFAF-UHFFFAOYSA-N -1 0 559.634 6.030 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409071670 1070497781 /nfs/dbraw/zinc/49/77/81/1070497781.db2.gz KWZVJSNVQNUMHG-OVVQPSECSA-N -1 0 518.569 5.822 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409072925 1070499175 /nfs/dbraw/zinc/49/91/75/1070499175.db2.gz NZWUOZAKGOHRME-VUTHCHCSSA-N -1 0 609.078 6.902 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409073917 1070500218 /nfs/dbraw/zinc/50/02/18/1070500218.db2.gz OBOZJUOXJPCPTF-UHFFFAOYSA-N -1 0 607.485 5.469 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Cl)cc(Cl)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409082647 1070507197 /nfs/dbraw/zinc/50/71/97/1070507197.db2.gz QOBDMJWCRTXAJD-DBUPPGCOSA-N -1 0 505.467 7.185 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C2=C1CCCC2=O ZINC000409085122 1070511336 /nfs/dbraw/zinc/51/13/36/1070511336.db2.gz RIJYUCWGHKGCHM-UHFFFAOYSA-N -1 0 649.416 7.057 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409093065 1070517408 /nfs/dbraw/zinc/51/74/08/1070517408.db2.gz ZBEWEUHBVBUATI-CVSRNISCSA-N -1 0 680.064 9.595 40 30 KKEBRM COc1ccc(Cl)cc1/N=C1/S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N1C ZINC000409169828 1070579676 /nfs/dbraw/zinc/57/96/76/1070579676.db2.gz SAXGKGUMEKDYDN-HFBRQWJHSA-N -1 0 503.363 6.194 40 30 KKEBRM C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O ZINC000409194688 1070613431 /nfs/dbraw/zinc/61/34/31/1070613431.db2.gz QIARHBWOGAKDEC-CPNJWEJPSA-N -1 0 620.294 5.073 40 30 KKEBRM Cc1c(Cl)cccc1/N=C/c1cc(Br)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409208300 1070623702 /nfs/dbraw/zinc/62/37/02/1070623702.db2.gz BZAABCZDCLKDIF-KBKYJPHKSA-N -1 0 537.635 7.201 40 30 KKEBRM CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409200044 1070625116 /nfs/dbraw/zinc/62/51/16/1070625116.db2.gz FWSVIZDIASUAGY-LGJNPRDNSA-N -1 0 533.216 6.638 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409226335 1070643856 /nfs/dbraw/zinc/64/38/56/1070643856.db2.gz NAIAZXLMEHHFBD-HFYSXMFYSA-N -1 0 541.629 5.875 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S1 ZINC000409238583 1070654067 /nfs/dbraw/zinc/65/40/67/1070654067.db2.gz KJWSHGOOKKYALV-MKMNVTDBSA-N -1 0 502.615 5.771 40 30 KKEBRM CCN1C(=O)/C(=C\c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000409233541 1070659006 /nfs/dbraw/zinc/65/90/06/1070659006.db2.gz SUQMHSRSOLLJBA-ORGCQWNBSA-N -1 0 511.603 6.020 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409277960 1070702727 /nfs/dbraw/zinc/70/27/27/1070702727.db2.gz CCULCJXVSITQLO-NRFANRHFSA-N -1 0 556.663 5.694 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409284451 1070739750 /nfs/dbraw/zinc/73/97/50/1070739750.db2.gz LJVIQZILUWGBAM-UHFFFAOYSA-N -1 0 606.635 6.572 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OCc3cccc(C(=O)[O-])c3)ccc3ccccc32)cc1C(C)C ZINC000409281636 1070732125 /nfs/dbraw/zinc/73/21/25/1070732125.db2.gz NCEIBHFEMFQJRQ-UHFFFAOYSA-N -1 0 611.698 7.817 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409284077 1070739135 /nfs/dbraw/zinc/73/91/35/1070739135.db2.gz SFEZHGPERWDSAU-AWEZNQCLSA-N -1 0 689.744 7.121 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409284402 1070739601 /nfs/dbraw/zinc/73/96/01/1070739601.db2.gz REVGLHYKWNYRED-CYBMUJFWSA-N -1 0 556.789 6.504 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409285397 1070742205 /nfs/dbraw/zinc/74/22/05/1070742205.db2.gz NNWOKBPAOLETHN-UHFFFAOYSA-N -1 0 669.444 6.648 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409285473 1070742305 /nfs/dbraw/zinc/74/23/05/1070742305.db2.gz NZFGWRRWZLHYLM-UHFFFAOYSA-N -1 0 632.551 6.549 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cccc2[N+](=O)[O-])c1 ZINC000409293045 1070747352 /nfs/dbraw/zinc/74/73/52/1070747352.db2.gz WLTOTTDDNJKLQR-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409286954 1070753565 /nfs/dbraw/zinc/75/35/65/1070753565.db2.gz ROVUANRYBGWKEZ-UHFFFAOYSA-N -1 0 579.407 5.524 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)cc1C(C)C ZINC000409287330 1070754533 /nfs/dbraw/zinc/75/45/33/1070754533.db2.gz UBMYMZWZRNQSCV-UHFFFAOYSA-N -1 0 654.163 8.106 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409287460 1070755040 /nfs/dbraw/zinc/75/50/40/1070755040.db2.gz VNNTZXLFEODDJI-GOSISDBHSA-N -1 0 608.489 6.009 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409290000 1070761733 /nfs/dbraw/zinc/76/17/33/1070761733.db2.gz QGLQEKQIPJHDIH-UHFFFAOYSA-N -1 0 540.801 5.534 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1I)C(=O)[O-] ZINC000409295529 1070764729 /nfs/dbraw/zinc/76/47/29/1070764729.db2.gz FOGSJHSNVMVYLN-AWEZNQCLSA-N -1 0 607.326 5.421 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(Br)cc(Br)c([O-])c2Br)cc1C(C)C ZINC000409295849 1070765295 /nfs/dbraw/zinc/76/52/95/1070765295.db2.gz PIFKCPNLWOVUBM-UHFFFAOYSA-N -1 0 678.219 7.769 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409297817 1070769771 /nfs/dbraw/zinc/76/97/71/1070769771.db2.gz XRKRMOAFIHPKOS-UHFFFAOYSA-N -1 0 556.800 5.289 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409299076 1070772797 /nfs/dbraw/zinc/77/27/97/1070772797.db2.gz PHAROLKXLVABOG-UHFFFAOYSA-N -1 0 662.278 5.494 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409302076 1070779998 /nfs/dbraw/zinc/77/99/98/1070779998.db2.gz CWISYJAOUHYCCW-UHFFFAOYSA-N -1 0 618.734 7.119 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1I ZINC000409302956 1070781886 /nfs/dbraw/zinc/78/18/86/1070781886.db2.gz HLQZJWZWHLXPRH-UHFFFAOYSA-N -1 0 644.219 5.522 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2I)cc1 ZINC000409302983 1070782283 /nfs/dbraw/zinc/78/22/83/1070782283.db2.gz GDNYGQBZJUSWMU-UHFFFAOYSA-N -1 0 801.762 7.832 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1OCC(=O)[O-] ZINC000409309949 1070790509 /nfs/dbraw/zinc/79/05/09/1070790509.db2.gz OJJOYYKNGSZVEA-UHFFFAOYSA-N -1 0 562.848 5.604 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409312320 1070794571 /nfs/dbraw/zinc/79/45/71/1070794571.db2.gz KSGBPKLUZAPATH-QGZVFWFLSA-N -1 0 657.359 6.993 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(I)c1OCC(=O)[O-] ZINC000408878828 1070798052 /nfs/dbraw/zinc/79/80/52/1070798052.db2.gz CDMANIFFCBERLA-IUXPMGMMSA-N -1 0 572.808 5.007 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC000409304923 1070798110 /nfs/dbraw/zinc/79/81/10/1070798110.db2.gz TZUSWAFPUQNUJO-QWHCGFSZSA-N -1 0 628.261 5.020 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC000409317018 1070821216 /nfs/dbraw/zinc/82/12/16/1070821216.db2.gz NMXHZDQRZRMCHW-OAHLLOKOSA-N -1 0 722.228 7.366 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000409317548 1070822425 /nfs/dbraw/zinc/82/24/25/1070822425.db2.gz VHGXLERTXIRHLM-OAHLLOKOSA-N -1 0 521.415 5.660 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000409317898 1070822788 /nfs/dbraw/zinc/82/27/88/1070822788.db2.gz SPJSXXNRSGZQRR-UHFFFAOYSA-N -1 0 521.415 5.490 40 30 KKEBRM O=C([O-])Cn1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc21 ZINC000409317866 1070822871 /nfs/dbraw/zinc/82/28/71/1070822871.db2.gz SJCKKSVRVFGAGO-UHFFFAOYSA-N -1 0 507.388 5.128 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000409326605 1070826614 /nfs/dbraw/zinc/82/66/14/1070826614.db2.gz MHUVZYUMDUAHAZ-HNNXBMFYSA-N -1 0 521.415 5.660 40 30 KKEBRM C=CCn1c(CSCc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000409363573 1070880475 /nfs/dbraw/zinc/88/04/75/1070880475.db2.gz UOXFBICIMZTMMP-UHFFFAOYSA-N -1 0 523.467 5.633 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409382015 1070899990 /nfs/dbraw/zinc/89/99/90/1070899990.db2.gz XHLXIGWDNIPRKJ-ZVHZXABRSA-N -1 0 581.521 6.703 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408906144 1070897047 /nfs/dbraw/zinc/89/70/47/1070897047.db2.gz HTKLYZFOEXMZEZ-ZPPFMFQGSA-N -1 0 581.488 6.158 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408905966 1070897747 /nfs/dbraw/zinc/89/77/47/1070897747.db2.gz GSLWKIXXVRAMQT-CHWABOMMSA-N -1 0 581.488 6.676 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408905761 1070898363 /nfs/dbraw/zinc/89/83/63/1070898363.db2.gz DMHBGXBBGIEGIP-NVHABHRXSA-N -1 0 519.417 5.324 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384587 1070901801 /nfs/dbraw/zinc/90/18/01/1070901801.db2.gz DQMGSLGPLRWCJY-NHDPSOOVSA-N -1 0 526.083 6.586 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)S2)cc1 ZINC000409385921 1070907747 /nfs/dbraw/zinc/90/77/47/1070907747.db2.gz MLOGGUWYNMKRDR-BKUYFWCQSA-N -1 0 507.637 5.633 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408902039 1070915364 /nfs/dbraw/zinc/91/53/64/1070915364.db2.gz JYSNQUQBTGODBK-KOEQRZSOSA-N -1 0 531.655 6.497 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585266337 1070989811 /nfs/dbraw/zinc/98/98/11/1070989811.db2.gz OZDKDMPIXCXJNV-SXBXJLEOSA-N -1 0 523.025 6.999 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408917245 1070993549 /nfs/dbraw/zinc/99/35/49/1070993549.db2.gz PSZXZJOOTYOBIE-GOVOZOGTSA-N -1 0 674.367 6.656 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263940 1070994267 /nfs/dbraw/zinc/99/42/67/1070994267.db2.gz JQUQBRUJHWZCEH-SKJOVQEYSA-N -1 0 539.499 8.416 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2cccc(F)c2)O[C@@H]1c1cccc(OC)c1OCC(=O)[O-] ZINC000585266463 1071002390 /nfs/dbraw/zinc/00/23/90/1071002390.db2.gz CQRXDBIESQBVKV-SFUJYVBYSA-N -1 0 510.989 7.130 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408915733 1071006139 /nfs/dbraw/zinc/00/61/39/1071006139.db2.gz ZRNLLTKZBUAFON-BPRJVQAXSA-N -1 0 510.251 6.240 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408914869 1071010891 /nfs/dbraw/zinc/01/08/91/1071010891.db2.gz ZHTUJTZRXHIDBS-WDHOPVFISA-N -1 0 628.488 6.266 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)N(CCc4ccccc4)C3=O)o2)ccc1Cl ZINC000408913860 1071016118 /nfs/dbraw/zinc/01/61/18/1071016118.db2.gz UNYJTVVDHATQRE-VIRMBIJJSA-N -1 0 529.017 7.145 40 30 KKEBRM C=C(C)[C@H]1C[C@@H]2c3ccc(OC)cc3CCC[C@@H]2O[C@@H]1c1cc(Oc2ccccc2)ccc1OCC(=O)[O-] ZINC000585268187 1071016109 /nfs/dbraw/zinc/01/61/09/1071016109.db2.gz WRQDHHBFRPSIHP-BAMUKTOESA-N -1 0 514.618 7.093 40 30 KKEBRM CC[C@H](C)N1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911898 1071026958 /nfs/dbraw/zinc/02/69/58/1071026958.db2.gz OUWUKATYPWAUOF-IROLNFEJSA-N -1 0 618.278 6.312 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408911589 1071059962 /nfs/dbraw/zinc/05/99/62/1071059962.db2.gz OCQBNWGROJXGBQ-PKNUDXBSSA-N -1 0 587.536 6.810 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1cc(C)ccc1C ZINC000408910725 1071066117 /nfs/dbraw/zinc/06/61/17/1071066117.db2.gz XVKQQYCZAFLMJN-FGVPMPITSA-N -1 0 510.251 6.158 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408919353 1071120039 /nfs/dbraw/zinc/12/00/39/1071120039.db2.gz WVGIYSNYEUPYRQ-GKCCGSIKSA-N -1 0 679.592 8.692 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)S/C2=N/c2ccccc2)cc1 ZINC000408919066 1071124363 /nfs/dbraw/zinc/12/43/63/1071124363.db2.gz SFXNDMWZEBDMOA-ZUZCJLRWSA-N -1 0 600.696 7.930 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)S/C2=N/c2ccccc2)cc1 ZINC000408918873 1071129460 /nfs/dbraw/zinc/12/94/60/1071129460.db2.gz PZSABIWWUHJZJG-WTZKLEHYSA-N -1 0 660.521 7.108 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408917576 1071143849 /nfs/dbraw/zinc/14/38/49/1071143849.db2.gz XQAXKMJSKKUYMN-MSPQWDQXSA-N -1 0 661.549 8.068 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408917645 1071145214 /nfs/dbraw/zinc/14/52/14/1071145214.db2.gz ZBVWCQACTJXBSR-NHDPSOOVSA-N -1 0 580.435 5.269 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408917526 1071147327 /nfs/dbraw/zinc/14/73/27/1071147327.db2.gz WGFCPXTZWDCAGV-CIRBIFNISA-N -1 0 722.455 8.692 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408917519 1071147340 /nfs/dbraw/zinc/14/73/40/1071147340.db2.gz WDHSKPMMOIDUOR-NOEOMOPPSA-N -1 0 686.584 7.286 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931633 1071149809 /nfs/dbraw/zinc/14/98/09/1071149809.db2.gz OERUVMPVKXOFHG-OFTKFCIUSA-N -1 0 556.665 7.250 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408930721 1071157049 /nfs/dbraw/zinc/15/70/49/1071157049.db2.gz BCJRAQZICKVUAI-NXHUBJRWSA-N -1 0 503.020 6.156 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408930819 1071157605 /nfs/dbraw/zinc/15/76/05/1071157605.db2.gz CMHPKFCOEKPCQI-ICEIDMMXSA-N -1 0 549.580 5.092 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931366 1071152394 /nfs/dbraw/zinc/15/23/94/1071152394.db2.gz KRPJLUBWOBATSU-XOXQHGIQSA-N -1 0 749.583 6.828 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408930702 1071159552 /nfs/dbraw/zinc/15/95/52/1071159552.db2.gz AXTSMRJINFLIKM-STBIYBPSSA-N -1 0 539.426 5.712 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408928823 1071177407 /nfs/dbraw/zinc/17/74/07/1071177407.db2.gz KZEQUFMKHLFQCG-NBBXONKTSA-N -1 0 594.089 5.696 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928508 1071184610 /nfs/dbraw/zinc/18/46/10/1071184610.db2.gz CCNMDJNFLGGHOQ-KQEJLNDGSA-N -1 0 621.497 5.377 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408936283 1071212176 /nfs/dbraw/zinc/21/21/76/1071212176.db2.gz PAPYEROQLZONLV-YRDVNVGOSA-N -1 0 585.451 6.416 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408936275 1071212223 /nfs/dbraw/zinc/21/22/23/1071212223.db2.gz PAGVKYKWKWHDTA-YDWAJNCASA-N -1 0 683.351 7.426 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408934804 1071229098 /nfs/dbraw/zinc/22/90/98/1071229098.db2.gz MODKLGPGSCBHMS-YSKQPDFISA-N -1 0 631.548 7.820 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708847 1071244601 /nfs/dbraw/zinc/24/46/01/1071244601.db2.gz OIGYEIIICGKMNH-OVZSPSEASA-N -1 0 541.735 7.626 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408933092 1071245038 /nfs/dbraw/zinc/24/50/38/1071245038.db2.gz HJGRNZVEXYTMIX-WNYGRBKJSA-N -1 0 687.612 8.246 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408932277 1071253593 /nfs/dbraw/zinc/25/35/93/1071253593.db2.gz BUTFKYMERDODPZ-WNZUNIINSA-N -1 0 730.637 7.685 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408931736 1071256600 /nfs/dbraw/zinc/25/66/00/1071256600.db2.gz POLIVYWWMXEMJB-ORDOYWAYSA-N -1 0 514.434 6.641 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3C)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408944498 1071258510 /nfs/dbraw/zinc/25/85/10/1071258510.db2.gz MRKVYWHDGWDTOT-FBHDLOMBSA-N -1 0 544.858 6.408 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000408943959 1071261180 /nfs/dbraw/zinc/26/11/80/1071261180.db2.gz ZTZDRBUIRXNAHL-JLHCICNNSA-N -1 0 658.514 6.218 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408943180 1071293963 /nfs/dbraw/zinc/29/39/63/1071293963.db2.gz YKEZRQDRFNZRLS-SOYCWMIESA-N -1 0 503.536 5.414 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408941349 1071310498 /nfs/dbraw/zinc/31/04/98/1071310498.db2.gz VPMWMPOYYKIFSH-HRKJWMQXSA-N -1 0 585.451 6.416 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408939665 1071321918 /nfs/dbraw/zinc/32/19/18/1071321918.db2.gz TWSVARSCYZITBH-RDIUFSFTSA-N -1 0 789.475 9.087 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408950387 1071356842 /nfs/dbraw/zinc/35/68/42/1071356842.db2.gz JPBKBRNDGSVJDD-VTNSRFBWSA-N -1 0 647.728 7.045 40 30 KKEBRM C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408948804 1071364239 /nfs/dbraw/zinc/36/42/39/1071364239.db2.gz GYHQDQPRAGAGKX-DHRITJCHSA-N -1 0 605.529 6.547 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408956716 1071375399 /nfs/dbraw/zinc/37/53/99/1071375399.db2.gz YBMZNZHZJCRSGY-SAEPALGJSA-N -1 0 650.779 7.679 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OCC)c3)S2)cc1 ZINC000408953420 1071396214 /nfs/dbraw/zinc/39/62/14/1071396214.db2.gz PMENJLYAQYQIQL-BUVRLJJBSA-N -1 0 644.487 6.257 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408692091 1071396565 /nfs/dbraw/zinc/39/65/65/1071396565.db2.gz DDYWFGPIABBLQK-HZHRSRAPSA-N -1 0 509.002 5.451 40 30 KKEBRM O=C([O-])COc1c(Br)cc(I)cc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408965831 1071413245 /nfs/dbraw/zinc/41/32/45/1071413245.db2.gz MKBKWXSRHQHZFI-WLRTZDKTSA-N -1 0 628.069 5.716 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C(=O)[O-])cc4)N(CC)C3=O)c2C)c1 ZINC000408965890 1071413271 /nfs/dbraw/zinc/41/32/71/1071413271.db2.gz JKDXZBBHYOTVDU-VYKPKEDGSA-N -1 0 517.607 5.593 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408965575 1071414027 /nfs/dbraw/zinc/41/40/27/1071414027.db2.gz WBAPCLIJEWHCNY-LPYMAVHISA-N -1 0 600.434 5.777 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408964441 1071417228 /nfs/dbraw/zinc/41/72/28/1071417228.db2.gz CKCAQZGUAQTGLM-VULFUBBASA-N -1 0 585.060 6.169 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408964396 1071418524 /nfs/dbraw/zinc/41/85/24/1071418524.db2.gz GRPZVDYKAPLHSM-OEAKJJBVSA-N -1 0 630.460 5.867 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408962510 1071426911 /nfs/dbraw/zinc/42/69/11/1071426911.db2.gz SPYDFMCZJJTKMK-CIAFOILYSA-N -1 0 669.324 7.166 40 30 KKEBRM O=C([O-])c1ccccc1-c1ccc(C=NN=c2nc(Nc3ccc(F)cc3)[nH]c(N3CCCCC3)n2)o1 ZINC000408973740 1071447098 /nfs/dbraw/zinc/44/70/98/1071447098.db2.gz QPTKQRVCRGLZFE-LQKURTRISA-N -1 0 501.522 5.149 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408987105 1071482346 /nfs/dbraw/zinc/48/23/46/1071482346.db2.gz AHTIUIXRRUTFSV-XMFCYEJRSA-N -1 0 685.765 6.625 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000408986474 1071490772 /nfs/dbraw/zinc/49/07/72/1071490772.db2.gz MEPYCLXIDDQEHU-MHWRWJLKSA-N -1 0 534.204 5.005 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)cc1Cl ZINC000408986025 1071496137 /nfs/dbraw/zinc/49/61/37/1071496137.db2.gz ZDGCVHCPRWYVCX-UWVJOHFNSA-N -1 0 540.790 6.072 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408985701 1071498455 /nfs/dbraw/zinc/49/84/55/1071498455.db2.gz XUTIPDOAPFYMKU-UCQKPKSFSA-N -1 0 531.952 5.531 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408980754 1071538365 /nfs/dbraw/zinc/53/83/65/1071538365.db2.gz XCUXKGIVUFTUPG-BRJLIKDPSA-N -1 0 520.290 7.839 40 30 KKEBRM O=C(N=C([N-]C(=O)OCc1ccccc1)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1 ZINC000408719999 1071545443 /nfs/dbraw/zinc/54/54/43/1071545443.db2.gz IKOOQMGVGRDSIF-JGCGQSQUSA-N -1 0 665.747 5.587 40 30 KKEBRM COc1ccc(OC)c(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)c(C(=O)[O-])c4)NC3=O)cc2OC)c1 ZINC000408994384 1071558335 /nfs/dbraw/zinc/55/83/35/1071558335.db2.gz ZICWVZHRIRXLMH-MYKKPKGFSA-N -1 0 555.008 5.535 40 30 KKEBRM [O-]c1c(Br)cc(Br)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1Br ZINC000408735349 1071562016 /nfs/dbraw/zinc/56/20/16/1071562016.db2.gz OAXKMKVAQBOKIP-NTJWKJDISA-N -1 0 588.897 6.701 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)S2)ccc1Cl ZINC000408993602 1071565586 /nfs/dbraw/zinc/56/55/86/1071565586.db2.gz WJOHIJPHVWZLJJ-MFOYZWKCSA-N -1 0 559.006 6.192 40 30 KKEBRM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C4/SC(=Nc5cccc(C(=O)[O-])c5)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992584 1071572237 /nfs/dbraw/zinc/57/22/37/1071572237.db2.gz SNMPLDZZEXYRAP-VYYCAZPPSA-N -1 0 667.750 7.506 40 30 KKEBRM Cc1cc(C)c(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)c(C(=O)[O-])c4)NC3=O)cc2)c(C)c1 ZINC000408990870 1071584553 /nfs/dbraw/zinc/58/45/53/1071584553.db2.gz OQUJFMMRLBWUPL-MSXFZWOLSA-N -1 0 507.011 6.434 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408990851 1071587306 /nfs/dbraw/zinc/58/73/06/1071587306.db2.gz ONSHUDXHLDMTNG-OYKKKHCWSA-N -1 0 576.005 5.929 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408990213 1071591084 /nfs/dbraw/zinc/59/10/84/1071591084.db2.gz JXRDTCZWKUJBOU-DXBMOUERSA-N -1 0 720.210 7.279 40 30 KKEBRM COc1c([O-])c(Br)cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1[N+](=O)[O-] ZINC000408729036 1071594750 /nfs/dbraw/zinc/59/47/50/1071594750.db2.gz BZCFJNDVTMHYED-QHVLENNUSA-N -1 0 506.128 5.093 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc(I)c([O-])c(I)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408728194 1071597929 /nfs/dbraw/zinc/59/79/29/1071597929.db2.gz JALDLPPXHZKSAP-AMVVHIIESA-N -1 0 676.248 7.168 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408989506 1071597015 /nfs/dbraw/zinc/59/70/15/1071597015.db2.gz KXEKFMPCMCRSOQ-XYGWBWBKSA-N -1 0 559.460 6.294 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408988743 1071602623 /nfs/dbraw/zinc/60/26/23/1071602623.db2.gz RJCIQUSLHBFKEG-ONUIUJJFSA-N -1 0 545.035 6.275 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(I)c([O-])c(I)c2)S1 ZINC000408739538 1071603262 /nfs/dbraw/zinc/60/32/62/1071603262.db2.gz XLIJSZIPTYPOAP-AUWJEWJLSA-N -1 0 596.615 5.455 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408988661 1071604313 /nfs/dbraw/zinc/60/43/13/1071604313.db2.gz ITNMLOVFEJZCDV-VEILYXNESA-N -1 0 595.493 7.139 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c([O-])c(I)c3)S2)cc1Cl ZINC000408738800 1071607726 /nfs/dbraw/zinc/60/77/26/1071607726.db2.gz OXUHYYYLWMQSRW-NSIKDUERSA-N -1 0 596.615 5.455 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000408997221 1071614431 /nfs/dbraw/zinc/61/44/31/1071614431.db2.gz LZUCPMIDEYFFMG-JLPGSUDCSA-N -1 0 531.586 5.516 40 30 KKEBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cc(C(=O)[O-])ccc3C)c2-c2ccccc2)cc1 ZINC000408743345 1071618268 /nfs/dbraw/zinc/61/82/68/1071618268.db2.gz SGGQNEIUANWOJP-PPOKSSTKSA-N -1 0 500.598 7.967 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1I ZINC000408741639 1071625083 /nfs/dbraw/zinc/62/50/83/1071625083.db2.gz MUNOXURYKDIOGF-VGOFMYFVSA-N -1 0 695.114 5.054 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)cc(Br)c2[O-])C1=O ZINC000409004335 1071633617 /nfs/dbraw/zinc/63/36/17/1071633617.db2.gz AKHNPYLWCQZUKW-SXGWCWSVSA-N -1 0 567.255 5.087 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c([O-])c(I)c2)C1=O ZINC000409005106 1071631083 /nfs/dbraw/zinc/63/10/83/1071631083.db2.gz ZFAUBBTYICBSSO-GDNBJRDFSA-N -1 0 619.218 5.145 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409004800 1071631476 /nfs/dbraw/zinc/63/14/76/1071631476.db2.gz RXVGTTFQUUNKKR-PQHUPVKOSA-N -1 0 566.260 7.338 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408755855 1071641395 /nfs/dbraw/zinc/64/13/95/1071641395.db2.gz PPTGYDBLFIOVIQ-LFVJCYFKSA-N -1 0 545.433 6.040 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000408999788 1071652133 /nfs/dbraw/zinc/65/21/33/1071652133.db2.gz VUPOCATZXKUQAY-HMAPJEAMSA-N -1 0 570.450 6.814 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C1=O ZINC000408999589 1071654728 /nfs/dbraw/zinc/65/47/28/1071654728.db2.gz UZYZDETYMNIZIB-OYKKKHCWSA-N -1 0 610.482 6.279 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000408998253 1071660232 /nfs/dbraw/zinc/66/02/32/1071660232.db2.gz INNNCEKZDDNWGQ-PEBYHUBMSA-N -1 0 758.375 7.982 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)ccc1Br ZINC000408752973 1071661513 /nfs/dbraw/zinc/66/15/13/1071661513.db2.gz DSATVJSYROLILB-DJKKODMXSA-N -1 0 768.143 6.084 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)ccc1Br ZINC000408751776 1071669045 /nfs/dbraw/zinc/66/90/45/1071669045.db2.gz CEYRFRXYEDBPJJ-DJKKODMXSA-N -1 0 585.241 6.181 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408760507 1071696340 /nfs/dbraw/zinc/69/63/40/1071696340.db2.gz ZTRZNIMIBZANMY-HZHRSRAPSA-N -1 0 610.302 6.494 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408759075 1071702484 /nfs/dbraw/zinc/70/24/84/1071702484.db2.gz XKJSKHHYAUWFLK-LPYMAVHISA-N -1 0 689.198 7.256 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408757774 1071710271 /nfs/dbraw/zinc/71/02/71/1071710271.db2.gz BWIPXSXFTBXYIY-HZHRSRAPSA-N -1 0 565.851 6.385 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408765638 1071723215 /nfs/dbraw/zinc/72/32/15/1071723215.db2.gz ZCTVNXFKVZLBCM-UUYOSTAYSA-N -1 0 646.357 7.006 40 30 KKEBRM Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc3c2CCCCCC3)c1 ZINC000409019761 1071729212 /nfs/dbraw/zinc/72/92/12/1071729212.db2.gz XAMUWUWDOAAIIU-KCSSXMTESA-N -1 0 526.658 7.985 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408761812 1071738180 /nfs/dbraw/zinc/73/81/80/1071738180.db2.gz LSDAQMSEPONJBL-LPYMAVHISA-N -1 0 539.407 5.627 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408762216 1071737165 /nfs/dbraw/zinc/73/71/65/1071737165.db2.gz NQNFBZNNTKDPPL-BUVRLJJBSA-N -1 0 701.355 6.735 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)c1 ZINC000408762218 1071737176 /nfs/dbraw/zinc/73/71/76/1071737176.db2.gz JQMJSLUBEZKKLO-HVSIYQNKSA-N -1 0 500.963 7.107 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408762846 1071734239 /nfs/dbraw/zinc/73/42/39/1071734239.db2.gz CDVFATWYVWMQSJ-HYARGMPZSA-N -1 0 610.302 6.494 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(Br)cc1OCC(=O)[O-] ZINC000408762708 1071734602 /nfs/dbraw/zinc/73/46/02/1071734602.db2.gz QITHWIXRJXAAOI-IDUWFGFVSA-N -1 0 570.259 5.192 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)cc(C)c1Br ZINC000408762553 1071735028 /nfs/dbraw/zinc/73/50/28/1071735028.db2.gz DSJZSORVYYLDJS-CHHVJCJISA-N -1 0 713.129 5.630 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408776886 1071747037 /nfs/dbraw/zinc/74/70/37/1071747037.db2.gz RQXOHTRUSSHAMO-ZVHZXABRSA-N -1 0 590.430 5.948 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408776292 1071750403 /nfs/dbraw/zinc/75/04/03/1071750403.db2.gz YIMZUAHBISTMCK-BUVRLJJBSA-N -1 0 534.971 5.852 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408774674 1071758992 /nfs/dbraw/zinc/75/89/92/1071758992.db2.gz QCOUUCPDBMKMKP-DJKKODMXSA-N -1 0 526.763 5.764 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409280881 1071760494 /nfs/dbraw/zinc/76/04/94/1071760494.db2.gz LHTRQYRRESJYDN-ZDUSSCGKSA-N -1 0 645.691 6.722 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cccc2[N+](=O)[O-])cc1 ZINC000409280290 1071770416 /nfs/dbraw/zinc/77/04/16/1071770416.db2.gz JZQHGIJUGULUSO-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM C[C@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc21 ZINC000409280327 1071771129 /nfs/dbraw/zinc/77/11/29/1071771129.db2.gz KWNGRIANDLMONT-MRXNPFEDSA-N -1 0 510.937 5.946 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409280381 1071772071 /nfs/dbraw/zinc/77/20/71/1071772071.db2.gz BFKJARLITQCZMR-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)cc1C(C)C ZINC000409280128 1071772768 /nfs/dbraw/zinc/77/27/68/1071772768.db2.gz JRAAYDHRROHILW-UHFFFAOYSA-N -1 0 556.018 6.998 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408771663 1071779508 /nfs/dbraw/zinc/77/95/08/1071779508.db2.gz JZRCFVHUZMAFKF-LPYMAVHISA-N -1 0 677.720 6.681 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409280000 1071775792 /nfs/dbraw/zinc/77/57/92/1071775792.db2.gz AIQSOYGVPDJBBT-UHFFFAOYSA-N -1 0 631.729 7.400 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409279685 1071780432 /nfs/dbraw/zinc/78/04/32/1071780432.db2.gz IFGRWESKJJZOKA-UHFFFAOYSA-N -1 0 717.370 7.893 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1C(C)C ZINC000409279165 1071791263 /nfs/dbraw/zinc/79/12/63/1071791263.db2.gz GOLZRGGQCUYVIX-UHFFFAOYSA-N -1 0 549.627 7.043 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409279355 1071789745 /nfs/dbraw/zinc/78/97/45/1071789745.db2.gz IKLLBIIBXOTNRE-IBGZPJMESA-N -1 0 548.039 6.282 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409278999 1071793091 /nfs/dbraw/zinc/79/30/91/1071793091.db2.gz HJPIBVRMLRUFDM-UHFFFAOYSA-N -1 0 565.380 5.350 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br ZINC000409279042 1071793766 /nfs/dbraw/zinc/79/37/66/1071793766.db2.gz GFPHUSKGGMLTCE-UHFFFAOYSA-N -1 0 546.299 5.190 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409278680 1071798058 /nfs/dbraw/zinc/79/80/58/1071798058.db2.gz FJIKDZDNMJDSLK-OAHLLOKOSA-N -1 0 655.299 6.468 40 30 KKEBRM Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)S1 ZINC000408768467 1071800939 /nfs/dbraw/zinc/80/09/39/1071800939.db2.gz GAIFCTIIYHWRMN-CHHVJCJISA-N -1 0 699.102 5.322 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408767776 1071805311 /nfs/dbraw/zinc/80/53/11/1071805311.db2.gz NYIRQZLHVOCJQJ-OGLMXYFKSA-N -1 0 595.493 7.193 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409277835 1071813731 /nfs/dbraw/zinc/81/37/31/1071813731.db2.gz CVEDCNZERFLQHK-UHFFFAOYSA-N -1 0 529.177 6.467 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277638 1071815532 /nfs/dbraw/zinc/81/55/32/1071815532.db2.gz BLBAEIDXLVIZMR-UHFFFAOYSA-N -1 0 715.500 6.981 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)cc2I)cc1 ZINC000408781110 1071820011 /nfs/dbraw/zinc/82/00/11/1071820011.db2.gz AAEWXHWBRDBXLO-NHDPSOOVSA-N -1 0 590.826 6.113 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C2=C1CCCC2=O ZINC000409047082 1071826245 /nfs/dbraw/zinc/82/62/45/1071826245.db2.gz MSTWFEWZWMPERL-UHFFFAOYSA-N -1 0 544.406 6.210 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409293882 1071826832 /nfs/dbraw/zinc/82/68/32/1071826832.db2.gz JSWISYZDBXHVBO-UHFFFAOYSA-N -1 0 627.245 5.689 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br)C(=O)[O-] ZINC000409293668 1071828847 /nfs/dbraw/zinc/82/88/47/1071828847.db2.gz JCCCNYAQTULMJN-AWEZNQCLSA-N -1 0 566.795 5.960 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409293550 1071831840 /nfs/dbraw/zinc/83/18/40/1071831840.db2.gz KTOGUMDCWJDQSM-UHFFFAOYSA-N -1 0 633.724 6.858 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409293559 1071832525 /nfs/dbraw/zinc/83/25/25/1071832525.db2.gz KUBHOCOZVIQSNB-UHFFFAOYSA-N -1 0 521.415 5.579 40 30 KKEBRM C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409293580 1071833101 /nfs/dbraw/zinc/83/31/01/1071833101.db2.gz ZAKWBRQSKJHQDN-UHFFFAOYSA-N -1 0 562.420 5.364 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409293076 1071845782 /nfs/dbraw/zinc/84/57/82/1071845782.db2.gz WPWIJHNQWUDQDE-UHFFFAOYSA-N -1 0 605.670 6.043 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409292914 1071847990 /nfs/dbraw/zinc/84/79/90/1071847990.db2.gz VWSHIKLDWAUAIT-UHFFFAOYSA-N -1 0 603.300 6.923 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1 ZINC000409292544 1071851595 /nfs/dbraw/zinc/85/15/95/1071851595.db2.gz USLFXBHGYNVPHO-UHFFFAOYSA-N -1 0 515.525 5.969 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409292600 1071852877 /nfs/dbraw/zinc/85/28/77/1071852877.db2.gz FCXVDFOOGYZPGU-ZDUSSCGKSA-N -1 0 669.248 6.350 40 30 KKEBRM CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409043599 1071857150 /nfs/dbraw/zinc/85/71/50/1071857150.db2.gz RXJPQNCQIBUUPW-UHFFFAOYSA-N -1 0 520.453 6.162 40 30 KKEBRM CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409043498 1071858848 /nfs/dbraw/zinc/85/88/48/1071858848.db2.gz MQYCVXGZTUZCLO-JNNAGZRYSA-N -1 0 561.248 5.839 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000409043148 1071860577 /nfs/dbraw/zinc/86/05/77/1071860577.db2.gz QARCABJFKGERLW-UHFFFAOYSA-N -1 0 660.315 6.197 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409043042 1071863246 /nfs/dbraw/zinc/86/32/46/1071863246.db2.gz PIEGNWNWVURAHY-UHFFFAOYSA-N -1 0 750.322 8.323 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c3)cc21 ZINC000409291926 1071862505 /nfs/dbraw/zinc/86/25/05/1071862505.db2.gz RNMLDTGANVXOHZ-OAHLLOKOSA-N -1 0 639.402 5.166 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409292042 1071864781 /nfs/dbraw/zinc/86/47/81/1071864781.db2.gz FJRXSOCWQLMTHN-UHFFFAOYSA-N -1 0 663.750 6.866 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1OCC(=O)[O-] ZINC000409292061 1071864982 /nfs/dbraw/zinc/86/49/82/1071864982.db2.gz ZJBJDBAYZGVSKG-UHFFFAOYSA-N -1 0 582.794 5.580 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409291908 1071868247 /nfs/dbraw/zinc/86/82/47/1071868247.db2.gz CFLVHERNAJQHHD-UHFFFAOYSA-N -1 0 706.141 6.451 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000409291679 1071870380 /nfs/dbraw/zinc/87/03/80/1071870380.db2.gz BLGPMAQEZYIVLJ-UHFFFAOYSA-N -1 0 588.498 6.150 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408782914 1071874950 /nfs/dbraw/zinc/87/49/50/1071874950.db2.gz LDHHEXWTKDMPTA-DJKKODMXSA-N -1 0 615.665 5.982 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409042377 1071872235 /nfs/dbraw/zinc/87/22/35/1071872235.db2.gz MQODOXWXNPLBSW-UHFFFAOYSA-N -1 0 705.871 8.214 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cccc2[N+](=O)[O-])c1 ZINC000409291531 1071873233 /nfs/dbraw/zinc/87/32/33/1071873233.db2.gz XUPRGJHVHFOGTC-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409291115 1071882251 /nfs/dbraw/zinc/88/22/51/1071882251.db2.gz OSQHHIUIOUNKSF-UHFFFAOYSA-N -1 0 690.332 6.229 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291293 1071879838 /nfs/dbraw/zinc/87/98/38/1071879838.db2.gz AOJWYNPTNLSQMR-UHFFFAOYSA-N -1 0 763.483 8.587 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408793744 1071886482 /nfs/dbraw/zinc/88/64/82/1071886482.db2.gz GJBYWTCYOXQUMP-ZQQCWGMFSA-N -1 0 570.408 5.802 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408792740 1071888289 /nfs/dbraw/zinc/88/82/89/1071888289.db2.gz CFZIQCGOUBXSMI-GXMXPRDMSA-N -1 0 618.424 5.950 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409290529 1071893595 /nfs/dbraw/zinc/89/35/95/1071893595.db2.gz MDKSCYUBJUEUAW-UHFFFAOYSA-N -1 0 595.453 6.869 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409290199 1071898843 /nfs/dbraw/zinc/89/88/43/1071898843.db2.gz RIJXDTRGKPTCFK-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409289991 1071905296 /nfs/dbraw/zinc/90/52/96/1071905296.db2.gz JJSYVLONZMKPOS-UHFFFAOYSA-N -1 0 744.121 5.836 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409290056 1071901671 /nfs/dbraw/zinc/90/16/71/1071901671.db2.gz JPNCOIRZKSLYPB-QGZVFWFLSA-N -1 0 557.990 5.934 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c([O-])c(Br)c1 ZINC000409038385 1071908999 /nfs/dbraw/zinc/90/89/99/1071908999.db2.gz VEJLIWUROGCRBI-UHFFFAOYSA-N -1 0 627.417 7.846 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408798250 1071912934 /nfs/dbraw/zinc/91/29/34/1071912934.db2.gz VLEUFMJMXBWMCF-HSZRJFAPSA-N -1 0 686.296 6.072 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)[O-] ZINC000409289167 1071916069 /nfs/dbraw/zinc/91/60/69/1071916069.db2.gz FESDYVFPAYVLEM-UHFFFAOYSA-N -1 0 627.245 5.689 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409289070 1071919232 /nfs/dbraw/zinc/91/92/32/1071919232.db2.gz DORPIYPCLLEKAC-SFHVURJKSA-N -1 0 637.487 6.299 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)cc(I)c3[O-])sc2C1 ZINC000409056219 1071923124 /nfs/dbraw/zinc/92/31/24/1071923124.db2.gz FTCAMMVVPLDJGD-LYORIEDSSA-N -1 0 543.268 6.594 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409055893 1071924658 /nfs/dbraw/zinc/92/46/58/1071924658.db2.gz KBZCOOKFRZFNFV-UHFFFAOYSA-N -1 0 616.969 7.996 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288842 1071925059 /nfs/dbraw/zinc/92/50/59/1071925059.db2.gz JMXCQSOZUVTMDZ-UHFFFAOYSA-N -1 0 652.423 7.013 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409288525 1071929468 /nfs/dbraw/zinc/92/94/68/1071929468.db2.gz HMTBZZGWWOBPSF-UHFFFAOYSA-N -1 0 620.662 6.962 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C#N)cc3)c(I)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409054728 1071932171 /nfs/dbraw/zinc/93/21/71/1071932171.db2.gz NNKIBKYCHXBWDW-BGVSHLRQSA-N -1 0 735.341 6.669 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2Br)cc1C(C)C ZINC000409288139 1071932705 /nfs/dbraw/zinc/93/27/05/1071932705.db2.gz DECDUARCXVYLQN-UHFFFAOYSA-N -1 0 719.032 8.478 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409054313 1071934093 /nfs/dbraw/zinc/93/40/93/1071934093.db2.gz FJUQBJWJTTYJOZ-UHFFFAOYSA-N -1 0 600.514 7.482 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409053584 1071939295 /nfs/dbraw/zinc/93/92/95/1071939295.db2.gz NFIZPSYMVPRTIS-IWIPYMOSSA-N -1 0 578.042 5.787 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409288106 1071936686 /nfs/dbraw/zinc/93/66/86/1071936686.db2.gz CUSXHALRXWIOED-UHFFFAOYSA-N -1 0 624.993 6.539 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C2=C1CCCC2=O ZINC000409053932 1071937709 /nfs/dbraw/zinc/93/77/09/1071937709.db2.gz DTNIWAHETCDALI-UHFFFAOYSA-N -1 0 633.308 6.428 40 30 KKEBRM O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2cc(Br)cc(I)c2[O-])sc2c1CCCC2 ZINC000409052957 1071942769 /nfs/dbraw/zinc/94/27/69/1071942769.db2.gz FPUYUGLVOMGETF-KBKYJPHKSA-N -1 0 615.718 7.356 40 30 KKEBRM O=C([O-])c1cccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409287421 1071944151 /nfs/dbraw/zinc/94/41/51/1071944151.db2.gz VDAVLEUTPVHOPD-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409297238 1071948932 /nfs/dbraw/zinc/94/89/32/1071948932.db2.gz SRVYCPBNBUNVLK-HNNXBMFYSA-N -1 0 610.848 6.358 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409297257 1071949410 /nfs/dbraw/zinc/94/94/10/1071949410.db2.gz SWOMIKKQDIIJMI-SFHVURJKSA-N -1 0 656.961 7.053 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409296988 1071954142 /nfs/dbraw/zinc/95/41/42/1071954142.db2.gz VICBEHKICIYHIZ-UHFFFAOYSA-N -1 0 651.501 6.607 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409051460 1071950819 /nfs/dbraw/zinc/95/08/19/1071950819.db2.gz CQEDQTWEYMCUOT-KIZKDISCSA-N -1 0 537.435 6.350 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409296426 1071963987 /nfs/dbraw/zinc/96/39/87/1071963987.db2.gz HYYOGRLJIDIUOI-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCC(=O)[O-] ZINC000409295890 1071969610 /nfs/dbraw/zinc/96/96/10/1071969610.db2.gz GILWOUXQWMKPKA-UHFFFAOYSA-N -1 0 552.370 5.861 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409295745 1071972157 /nfs/dbraw/zinc/97/21/57/1071972157.db2.gz FXEOGXVSPXLJPH-HNNXBMFYSA-N -1 0 604.379 5.978 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1Cl ZINC000409047600 1071979214 /nfs/dbraw/zinc/97/92/14/1071979214.db2.gz OXIKCQQSTAQMIT-FXLKZSPXSA-N -1 0 522.944 5.524 40 30 KKEBRM COc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409047631 1071979255 /nfs/dbraw/zinc/97/92/55/1071979255.db2.gz OYNYSRBETKCIAE-UHFFFAOYSA-N -1 0 595.328 5.990 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059532 1071979730 /nfs/dbraw/zinc/97/97/30/1071979730.db2.gz QMHBUEFVSSQEFW-YHSWEDCKSA-N -1 0 527.429 6.895 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409295019 1071985237 /nfs/dbraw/zinc/98/52/37/1071985237.db2.gz NLNGYLRNOTUWFY-UHFFFAOYSA-N -1 0 589.604 6.376 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409295010 1071984756 /nfs/dbraw/zinc/98/47/56/1071984756.db2.gz CRUXQKXAULJSQD-UHFFFAOYSA-N -1 0 624.993 6.539 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1OCC(=O)[O-] ZINC000409294560 1071991463 /nfs/dbraw/zinc/99/14/63/1071991463.db2.gz OXLKSUBKYJAEGO-UHFFFAOYSA-N -1 0 643.821 5.812 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409294555 1071991487 /nfs/dbraw/zinc/99/14/87/1071991487.db2.gz OWYZYDVNTTZOIC-CQSZACIVSA-N -1 0 641.272 6.077 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000409294595 1071992513 /nfs/dbraw/zinc/99/25/13/1071992513.db2.gz MTHAPWQQQRFINB-UHFFFAOYSA-N -1 0 656.842 7.658 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409067266 1071997529 /nfs/dbraw/zinc/99/75/29/1071997529.db2.gz CETNWRWVYFUWNT-PCLIKHOPSA-N -1 0 619.468 5.608 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066920 1072000769 /nfs/dbraw/zinc/00/07/69/1072000769.db2.gz DJYWWLQOSBAOAR-UHFFFAOYSA-N -1 0 650.931 5.377 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)o1 ZINC000409307131 1072002692 /nfs/dbraw/zinc/00/26/92/1072002692.db2.gz SWQWMTHMKTVBJH-UHFFFAOYSA-N -1 0 568.383 6.721 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409066633 1072003148 /nfs/dbraw/zinc/00/31/48/1072003148.db2.gz NQGWRXKEMXTOKJ-FYJGNVAPSA-N -1 0 569.416 6.505 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409067097 1071997668 /nfs/dbraw/zinc/99/76/68/1071997668.db2.gz NSWOPVWVPJFPIP-PXLXIMEGSA-N -1 0 581.046 5.128 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409066281 1072003545 /nfs/dbraw/zinc/00/35/45/1072003545.db2.gz KUXIICJVJRWKCA-HYARGMPZSA-N -1 0 547.951 5.231 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1O[C@H](C)C(=O)[O-] ZINC000409294142 1072000271 /nfs/dbraw/zinc/00/02/71/1072000271.db2.gz NSZVVXFOVGMJDS-MRXNPFEDSA-N -1 0 531.952 5.596 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409066907 1072000561 /nfs/dbraw/zinc/00/05/61/1072000561.db2.gz DCWWRXQDWHFDBB-UHFFFAOYSA-N -1 0 621.752 5.932 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCC(=O)[O-])c(OCC)c2)C2=C1CC(C)(C)CC2=O ZINC000409065701 1072007684 /nfs/dbraw/zinc/00/76/84/1072007684.db2.gz IXAZPOQXVXSMLK-UHFFFAOYSA-N -1 0 635.539 6.249 40 30 KKEBRM CCCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409066194 1072005186 /nfs/dbraw/zinc/00/51/86/1072005186.db2.gz KJLQMSRQLMWEJS-UHFFFAOYSA-N -1 0 514.062 6.289 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409066030 1072005633 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1072084642 /nfs/dbraw/zinc/08/46/42/1072084642.db2.gz DDFGMOJBKQJBKB-INIZCTEOSA-N -1 0 613.306 6.594 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000409072408 1072083094 /nfs/dbraw/zinc/08/30/94/1072083094.db2.gz CBKLRUOCYTVUKX-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409072395 1072083150 /nfs/dbraw/zinc/08/31/50/1072083150.db2.gz BZVAKTOQRVGUOE-UHFFFAOYSA-N -1 0 642.749 7.071 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409071274 1072090695 /nfs/dbraw/zinc/09/06/95/1072090695.db2.gz GJMDVRIDFKRAOM-UHFFFAOYSA-N -1 0 713.609 6.909 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1F ZINC000409072155 1072085276 /nfs/dbraw/zinc/08/52/76/1072085276.db2.gz LYHPDKFFMKXCLD-UHFFFAOYSA-N -1 0 668.600 7.726 40 30 KKEBRM 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ZINC000409070716 1072094557 /nfs/dbraw/zinc/09/45/57/1072094557.db2.gz LWUFCRHVRKDCKV-UHFFFAOYSA-N -1 0 681.034 7.575 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1Cl ZINC000409069918 1072099189 /nfs/dbraw/zinc/09/91/89/1072099189.db2.gz BPGWNYWRQXSJRK-UHFFFAOYSA-N -1 0 640.604 8.131 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409070551 1072095309 /nfs/dbraw/zinc/09/53/09/1072095309.db2.gz ZAWKCMWLJOVEFQ-UHFFFAOYSA-N -1 0 614.920 6.578 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-] ZINC000409070344 1072095645 /nfs/dbraw/zinc/09/56/45/1072095645.db2.gz OAPCCWNABQZGDP-UHFFFAOYSA-N -1 0 571.714 6.477 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409070346 1072095720 /nfs/dbraw/zinc/09/57/20/1072095720.db2.gz OCJPSOMSOMRAHO-RCCKNPSSSA-N -1 0 551.426 6.366 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409300072 1072096590 /nfs/dbraw/zinc/09/65/90/1072096590.db2.gz UJQIPGACPWVYRT-AWEZNQCLSA-N -1 0 566.795 5.960 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409299826 1072097265 /nfs/dbraw/zinc/09/72/65/1072097265.db2.gz VPNWCTBGUVUYBP-HNNXBMFYSA-N -1 0 640.874 6.367 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1 ZINC000409070266 1072097375 /nfs/dbraw/zinc/09/73/75/1072097375.db2.gz YONGANZVYGLJTC-UHFFFAOYSA-N -1 0 697.610 7.429 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409070047 1072098055 /nfs/dbraw/zinc/09/80/55/1072098055.db2.gz MSLSECZYXQIHPW-ZVHZXABRSA-N -1 0 551.426 6.366 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409069973 1072099562 /nfs/dbraw/zinc/09/95/62/1072099562.db2.gz 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/nfs/dbraw/zinc/10/20/50/1072102050.db2.gz QSTLZLYZOMUPQA-UHFFFAOYSA-N -1 0 575.665 7.053 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccccc2)C2=C1CCCC2=O ZINC000409069447 1072102512 /nfs/dbraw/zinc/10/25/12/1072102512.db2.gz KXGQEQWKEOKZQT-UHFFFAOYSA-N -1 0 550.449 5.916 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409069516 1072103107 /nfs/dbraw/zinc/10/31/07/1072103107.db2.gz DEVXHKJZZQPIID-UHFFFAOYSA-N -1 0 693.410 6.176 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409069406 1072104940 /nfs/dbraw/zinc/10/49/40/1072104940.db2.gz IVFXLQFNFUYGBF-AJBULDERSA-N -1 0 606.650 6.777 40 30 KKEBRM CN1C(=O)/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409069236 1072105891 /nfs/dbraw/zinc/10/58/91/1072105891.db2.gz MBQFGOLBPFMYHU-VNKJZNQASA-N -1 0 573.468 7.113 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)cc21 ZINC000409298805 1072113078 /nfs/dbraw/zinc/11/30/78/1072113078.db2.gz XVQYGTDCSLTGJG-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409068373 1072113149 /nfs/dbraw/zinc/11/31/49/1072113149.db2.gz GAWDPYBMQZKHTQ-LFVJCYFKSA-N -1 0 625.497 5.319 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409068893 1072107767 /nfs/dbraw/zinc/10/77/67/1072107767.db2.gz UJYZXRNIFONHEV-UHFFFAOYSA-N -1 0 632.197 7.816 40 30 KKEBRM CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000409067962 1072114016 /nfs/dbraw/zinc/11/40/16/1072114016.db2.gz FAWAVVAELWYNKT-UHFFFAOYSA-N -1 0 523.670 6.034 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Br)cc1 ZINC000409068710 1072108282 /nfs/dbraw/zinc/10/82/82/1072108282.db2.gz HQAMQBCDOBZBFB-UHFFFAOYSA-N -1 0 720.398 6.920 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409067972 1072114045 /nfs/dbraw/zinc/11/40/45/1072114045.db2.gz FDLNLUKJANXBDS-UHFFFAOYSA-N -1 0 650.610 7.448 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000409067961 1072114062 /nfs/dbraw/zinc/11/40/62/1072114062.db2.gz RQZHRMRZZNHTEU-UHFFFAOYSA-N -1 0 546.458 5.324 40 30 KKEBRM C[C@@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-] ZINC000409298925 1072110225 /nfs/dbraw/zinc/11/02/25/1072110225.db2.gz QHOJUFDZXHQZTO-OAHLLOKOSA-N -1 0 522.399 5.344 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067674 1072115659 /nfs/dbraw/zinc/11/56/59/1072115659.db2.gz PFTWXDPWFRVOBE-UHFFFAOYSA-N -1 0 508.954 5.754 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409298760 1072116389 /nfs/dbraw/zinc/11/63/89/1072116389.db2.gz XNNRUMCPDOCVSX-OAHLLOKOSA-N -1 0 655.299 6.468 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409067586 1072116982 /nfs/dbraw/zinc/11/69/82/1072116982.db2.gz FRYQSAIJMOMMCP-UHFFFAOYSA-N -1 0 703.443 8.090 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409067619 1072117052 /nfs/dbraw/zinc/11/70/52/1072117052.db2.gz GJEYDGQPRPZWII-UHFFFAOYSA-N -1 0 630.996 8.386 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409298597 1072118206 /nfs/dbraw/zinc/11/82/06/1072118206.db2.gz ZZDYUUSGXSRNOM-UHFFFAOYSA-N -1 0 579.407 5.524 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080713 1072120606 /nfs/dbraw/zinc/12/06/06/1072120606.db2.gz NUFMGPFAZONASA-UHFFFAOYSA-N -1 0 668.099 7.118 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409080760 1072121078 /nfs/dbraw/zinc/12/10/78/1072121078.db2.gz OCXINBAVHCBKPK-YGNIGIFCSA-N -1 0 566.723 8.179 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409080758 1072121086 /nfs/dbraw/zinc/12/10/86/1072121086.db2.gz OCXINBAVHCBKPK-VQURDZQPSA-N -1 0 566.723 8.179 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409298261 1072121537 /nfs/dbraw/zinc/12/15/37/1072121537.db2.gz YTVUMBCKBJDSID-UHFFFAOYSA-N -1 0 560.050 6.656 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409298163 1072124158 /nfs/dbraw/zinc/12/41/58/1072124158.db2.gz YKMGSHCYSAAWCL-UHFFFAOYSA-N -1 0 667.394 6.912 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409298174 1072124196 /nfs/dbraw/zinc/12/41/96/1072124196.db2.gz NRHMFCXJPYZAOA-SFHVURJKSA-N -1 0 578.463 6.001 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409297718 1072130391 /nfs/dbraw/zinc/13/03/91/1072130391.db2.gz MCUKQPLREIFSME-UHFFFAOYSA-N -1 0 628.468 7.675 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(I)c([O-])c([N+](=O)[O-])c3)c2C(=O)Nc2ccccc2)C1 ZINC000409080359 1072125539 /nfs/dbraw/zinc/12/55/39/1072125539.db2.gz NHVSXGPCAPZYJY-IPFQNQMQSA-N -1 0 603.482 7.120 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409314867 1072139346 /nfs/dbraw/zinc/13/93/46/1072139346.db2.gz HSSUFNZVKCCSIG-QGZVFWFLSA-N -1 0 556.457 5.363 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409079464 1072135389 /nfs/dbraw/zinc/13/53/89/1072135389.db2.gz JWAZFYNNBHQODU-JGUDRBOASA-N -1 0 553.728 8.008 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079238 1072136410 /nfs/dbraw/zinc/13/64/10/1072136410.db2.gz KQQLULZKRISPMO-YBFXNURJSA-N -1 0 650.393 7.506 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409314911 1072139709 /nfs/dbraw/zinc/13/97/09/1072139709.db2.gz TUIXCKHETIBRBR-RYUDHWBXSA-N -1 0 630.131 5.932 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409315059 1072138388 /nfs/dbraw/zinc/13/83/88/1072138388.db2.gz MUIHZXHWHHKRSF-MRXNPFEDSA-N -1 0 598.881 6.494 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409079162 1072138663 /nfs/dbraw/zinc/13/86/63/1072138663.db2.gz KFZKIUZKCKFSFV-JGUDRBOASA-N -1 0 553.728 8.008 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)[O-])c(Cl)c1Br ZINC000409315084 1072138858 /nfs/dbraw/zinc/13/88/58/1072138858.db2.gz NCCKJZPQAPOUNL-UHFFFAOYSA-N -1 0 615.706 5.662 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)[O-])c(Br)c1Br ZINC000409314771 1072141263 /nfs/dbraw/zinc/14/12/63/1072141263.db2.gz HHGNJBVNZSBYOS-UHFFFAOYSA-N -1 0 646.130 5.381 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409314410 1072142797 /nfs/dbraw/zinc/14/27/97/1072142797.db2.gz KLAHDFHKQLRYNA-UHFFFAOYSA-N -1 0 564.436 5.670 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409078066 1072148265 /nfs/dbraw/zinc/14/82/65/1072148265.db2.gz HKJFWPHSZIRDLG-ZKRFULCVSA-N -1 0 761.319 10.221 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409313676 1072148779 /nfs/dbraw/zinc/14/87/79/1072148779.db2.gz PBVIYZNJXBRHJZ-OAHLLOKOSA-N -1 0 603.300 7.139 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409313751 1072149125 /nfs/dbraw/zinc/14/91/25/1072149125.db2.gz CXZYSGDMBCLZST-ZIAGYGMSSA-N -1 0 642.288 5.410 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409312762 1072158523 /nfs/dbraw/zinc/15/85/23/1072158523.db2.gz MJEFQUDYQMLSSG-HNNXBMFYSA-N -1 0 613.852 6.394 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087225 1072157207 /nfs/dbraw/zinc/15/72/07/1072157207.db2.gz HFVJOFPXQOBPCD-HYARGMPZSA-N -1 0 639.539 5.986 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409312197 1072165035 /nfs/dbraw/zinc/16/50/35/1072165035.db2.gz DVMUMIVNLQVPSZ-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409311979 1072166111 /nfs/dbraw/zinc/16/61/11/1072166111.db2.gz IXGCLFVYDSNDFL-CYBMUJFWSA-N -1 0 577.819 5.502 40 30 KKEBRM CCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)[O-])cc2Br)S/C1=N/c1ccc(Cl)cc1 ZINC000409085953 1072171507 /nfs/dbraw/zinc/17/15/07/1072171507.db2.gz XQDWLSTVBBIGCM-QPEGHUKDSA-N -1 0 539.835 5.589 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409310897 1072176275 /nfs/dbraw/zinc/17/62/75/1072176275.db2.gz CMCILPJCEOFNGZ-UHFFFAOYSA-N -1 0 599.825 5.833 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085244 1072180500 /nfs/dbraw/zinc/18/05/00/1072180500.db2.gz WVTFPINIJVMDBW-DEDYPNTBSA-N -1 0 567.476 5.809 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409085105 1072182170 /nfs/dbraw/zinc/18/21/70/1072182170.db2.gz YJKLELGDIZYVMY-UHFFFAOYSA-N -1 0 589.601 6.066 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409085142 1072182651 /nfs/dbraw/zinc/18/26/51/1072182651.db2.gz NUFDDDSCBZERAF-UHFFFAOYSA-N -1 0 617.611 5.921 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br ZINC000409310379 1072183426 /nfs/dbraw/zinc/18/34/26/1072183426.db2.gz AXIJHLGXZHOMPU-UHFFFAOYSA-N -1 0 597.691 5.968 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@@H](C)C(=O)[O-])c2ccccc12 ZINC000409310134 1072186365 /nfs/dbraw/zinc/18/63/65/1072186365.db2.gz QVYOVLLHRWHIPH-INIZCTEOSA-N -1 0 509.404 5.293 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 ZINC000409084483 1072188492 /nfs/dbraw/zinc/18/84/92/1072188492.db2.gz XZQRXFAFQKPOJJ-SWIFDRHOSA-N -1 0 512.679 6.893 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409308998 1072196128 /nfs/dbraw/zinc/19/61/28/1072196128.db2.gz ZYYURHWQHNUZSQ-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083715 1072199159 /nfs/dbraw/zinc/19/91/59/1072199159.db2.gz VOEWLPJWBMSPGG-UHFFFAOYSA-N -1 0 656.654 7.575 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4cccc(C(=O)[O-])c4)c([N+](=O)[O-])c3)cc21 ZINC000409308417 1072204191 /nfs/dbraw/zinc/20/41/91/1072204191.db2.gz XFQYXFBTCPRBTM-UHFFFAOYSA-N -1 0 620.574 5.895 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409308687 1072204207 /nfs/dbraw/zinc/20/42/07/1072204207.db2.gz YJMSWQBZOQOQCM-UHFFFAOYSA-N -1 0 744.121 5.836 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409308320 1072207351 /nfs/dbraw/zinc/20/73/51/1072207351.db2.gz XAPGZAXDOAITEJ-MRXNPFEDSA-N -1 0 576.403 5.705 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409308333 1072207356 /nfs/dbraw/zinc/20/73/56/1072207356.db2.gz XCXHNOXIRIYKEI-IBGZPJMESA-N -1 0 622.516 6.399 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409083092 1072205216 /nfs/dbraw/zinc/20/52/16/1072205216.db2.gz RWRQCSWFOKLHAT-UIHWRNLWSA-N -1 0 595.548 9.167 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409308507 1072205548 /nfs/dbraw/zinc/20/55/48/1072205548.db2.gz XPDGZLOKKNRKQJ-UHFFFAOYSA-N -1 0 751.815 8.546 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082880 1072205811 /nfs/dbraw/zinc/20/58/11/1072205811.db2.gz RFEZMQKPSZWPSX-HZHRSRAPSA-N -1 0 625.556 6.598 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409308273 1072206380 /nfs/dbraw/zinc/20/63/80/1072206380.db2.gz WXBDQLGBANQYHF-HNNXBMFYSA-N -1 0 517.925 5.206 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409308125 1072208638 /nfs/dbraw/zinc/20/86/38/1072208638.db2.gz XJLGAORNMAYVFV-LJQANCHMSA-N -1 0 559.619 5.255 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409308122 1072208664 /nfs/dbraw/zinc/20/86/64/1072208664.db2.gz XJLGAORNMAYVFV-IBGZPJMESA-N -1 0 559.619 5.255 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409308208 1072210194 /nfs/dbraw/zinc/21/01/94/1072210194.db2.gz WRCHGCHMPSLAQX-CQSZACIVSA-N -1 0 641.272 6.077 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000409307882 1072213899 /nfs/dbraw/zinc/21/38/99/1072213899.db2.gz VGRPBWSYNIVTEQ-UHFFFAOYSA-N -1 0 718.314 7.402 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1)C(=O)[O-] ZINC000409307603 1072219332 /nfs/dbraw/zinc/21/93/32/1072219332.db2.gz TXICQXYWSPAFKZ-HNNXBMFYSA-N -1 0 532.350 5.306 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409307400 1072220573 /nfs/dbraw/zinc/22/05/73/1072220573.db2.gz SKELSSPPCXMZCN-UHFFFAOYSA-N -1 0 551.002 6.759 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(OCC)c1OCC(=O)[O-] ZINC000409081566 1072221202 /nfs/dbraw/zinc/22/12/02/1072221202.db2.gz PYWUWMSTRGZWHK-FPGNOGIKSA-N -1 0 542.657 5.950 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409316883 1072226376 /nfs/dbraw/zinc/22/63/76/1072226376.db2.gz NNMWWBIIQPQBSI-UHFFFAOYSA-N -1 0 554.828 5.924 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081227 1072226791 /nfs/dbraw/zinc/22/67/91/1072226791.db2.gz NEBGSTWWWCXFGU-CIAFOILYSA-N -1 0 629.975 7.161 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080990 1072227266 /nfs/dbraw/zinc/22/72/66/1072227266.db2.gz OUXQMHSLGZCJLD-RGVLZGJSSA-N -1 0 615.948 6.771 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC000409316747 1072227732 /nfs/dbraw/zinc/22/77/32/1072227732.db2.gz MEHPPLSITZCDOP-LLVKDONJSA-N -1 0 616.104 5.543 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC000409316842 1072228693 /nfs/dbraw/zinc/22/86/93/1072228693.db2.gz MQRIYVBZHAZYHV-UHFFFAOYSA-N -1 0 598.881 6.323 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409316446 1072229999 /nfs/dbraw/zinc/22/99/99/1072229999.db2.gz QHBUBIRFTDMDLL-UHFFFAOYSA-N -1 0 563.792 5.114 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409316225 1072233265 /nfs/dbraw/zinc/23/32/65/1072233265.db2.gz LJGAWQIUPIBEFW-LBPRGKRZSA-N -1 0 615.706 5.660 40 30 KKEBRM C=CCc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1OCc1ccc(Br)cc1 ZINC000409316087 1072234671 /nfs/dbraw/zinc/23/46/71/1072234671.db2.gz XOSDALWGPCDUNW-JXMROGBWSA-N -1 0 514.332 5.045 40 30 KKEBRM N#Cc1ccccc1Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000409096169 1072234838 /nfs/dbraw/zinc/23/48/38/1072234838.db2.gz JAYQQISEPDITJX-UDWIEESQSA-N -1 0 515.356 5.534 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(OCC)c1 ZINC000409325707 1072255212 /nfs/dbraw/zinc/25/52/12/1072255212.db2.gz ZWLCJMLUQLMFKR-AWEZNQCLSA-N -1 0 642.288 5.239 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409093214 1072253704 /nfs/dbraw/zinc/25/37/04/1072253704.db2.gz YCIAYNKLLDYRHJ-HQRHQKMJSA-N -1 0 631.194 8.841 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409093215 1072253756 /nfs/dbraw/zinc/25/37/56/1072253756.db2.gz YCIAYNKLLDYRHJ-PBHFAPSUSA-N -1 0 631.194 8.841 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC000409324998 1072261147 /nfs/dbraw/zinc/26/11/47/1072261147.db2.gz WMRQKHBETUJOQI-FQEVSTJZSA-N -1 0 627.539 7.239 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC000409325282 1072258297 /nfs/dbraw/zinc/25/82/97/1072258297.db2.gz XSPBIHOQVKVUHU-UHFFFAOYSA-N -1 0 521.415 5.408 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409324770 1072261551 /nfs/dbraw/zinc/26/15/51/1072261551.db2.gz VJIHZFRAEDFGBL-QGZVFWFLSA-N -1 0 564.436 5.841 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2)cc1 ZINC000409324736 1072263715 /nfs/dbraw/zinc/26/37/15/1072263715.db2.gz UTQSFWYAHQYGCB-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM O=C([O-])c1ccc(COc2cccc(/C=C3\S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000409091193 1072272890 /nfs/dbraw/zinc/27/28/90/1072272890.db2.gz QHULFCVQXIDWHM-PCYGFIDKSA-N -1 0 534.637 6.637 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409323696 1072273263 /nfs/dbraw/zinc/27/32/63/1072273263.db2.gz PHBQFURWONMGAD-HNNXBMFYSA-N -1 0 621.326 6.102 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC000409323333 1072274999 /nfs/dbraw/zinc/27/49/99/1072274999.db2.gz NFWDDTLBYPWEQV-CQSZACIVSA-N -1 0 550.837 5.288 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OCC)c1 ZINC000409323332 1072275080 /nfs/dbraw/zinc/27/50/80/1072275080.db2.gz NFWDDTLBYPWEQV-AWEZNQCLSA-N -1 0 550.837 5.288 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409090826 1072277953 /nfs/dbraw/zinc/27/79/53/1072277953.db2.gz OWGXGMGXKKQAPS-QVKLBEAGSA-N -1 0 544.673 7.439 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Cl)cc1 ZINC000409322931 1072278892 /nfs/dbraw/zinc/27/88/92/1072278892.db2.gz YRFIGPHMVZGODK-UHFFFAOYSA-N -1 0 629.338 7.673 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)o2)c1 ZINC000409322904 1072278918 /nfs/dbraw/zinc/27/89/18/1072278918.db2.gz LQWPDUFACNHKKX-UHFFFAOYSA-N -1 0 554.828 6.701 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409322714 1072281721 /nfs/dbraw/zinc/28/17/21/1072281721.db2.gz MVTYLLLFQSIZSH-QGZVFWFLSA-N -1 0 623.460 6.139 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409322571 1072283563 /nfs/dbraw/zinc/28/35/63/1072283563.db2.gz LYDTYCBLMQZVHX-UHFFFAOYSA-N -1 0 571.475 6.393 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409322010 1072286239 /nfs/dbraw/zinc/28/62/39/1072286239.db2.gz IHOTVAQCQFWHAG-UHFFFAOYSA-N -1 0 558.068 5.614 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC000409321562 1072289827 /nfs/dbraw/zinc/28/98/27/1072289827.db2.gz GXNWMDFZTMKKPS-CHWSQXEVSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000409321575 1072289939 /nfs/dbraw/zinc/28/99/39/1072289939.db2.gz GXNWMDFZTMKKPS-STQMWFEESA-N -1 0 536.810 5.069 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409089402 1072290836 /nfs/dbraw/zinc/29/08/36/1072290836.db2.gz IFXMODMJTXGSOW-AAYNNKITSA-N -1 0 629.532 7.934 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088908 1072294614 /nfs/dbraw/zinc/29/46/14/1072294614.db2.gz HOCZDAVHEAIDML-HYARGMPZSA-N -1 0 588.529 5.098 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409320102 1072303493 /nfs/dbraw/zinc/30/34/93/1072303493.db2.gz OZBCCECHZVJYJX-CYBMUJFWSA-N -1 0 581.261 5.007 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088189 1072300986 /nfs/dbraw/zinc/30/09/86/1072300986.db2.gz FHAFSNQKPGPPCB-UHFFFAOYSA-N -1 0 673.719 7.193 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409318902 1072316660 /nfs/dbraw/zinc/31/66/60/1072316660.db2.gz YQRVAVQQOVXPIR-GOSISDBHSA-N -1 0 577.479 5.898 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409318881 1072316730 /nfs/dbraw/zinc/31/67/30/1072316730.db2.gz YLVWCFWKZOGANK-QGZVFWFLSA-N -1 0 623.460 6.139 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409318553 1072318642 /nfs/dbraw/zinc/31/86/42/1072318642.db2.gz WOPDYBWLAOTCJW-UHFFFAOYSA-N -1 0 580.435 5.288 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000409318672 1072317052 /nfs/dbraw/zinc/31/70/52/1072317052.db2.gz WWJIOHWZSWXGNS-LJQANCHMSA-N -1 0 565.468 5.643 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409100873 1072317738 /nfs/dbraw/zinc/31/77/38/1072317738.db2.gz XCZHDMOHDHTARO-XDHOZWIPSA-N -1 0 535.094 5.699 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000409317448 1072328397 /nfs/dbraw/zinc/32/83/97/1072328397.db2.gz QQJBRBIXMJKQOK-UHFFFAOYSA-N -1 0 639.890 6.928 40 30 KKEBRM C=CCOc1c(Br)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1Br ZINC000409336524 1072330786 /nfs/dbraw/zinc/33/07/86/1072330786.db2.gz OSXHWGLMQACILC-HMWDARKLSA-N -1 0 500.237 5.651 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409335491 1072338523 /nfs/dbraw/zinc/33/85/23/1072338523.db2.gz OMSKDQMRWXHLOP-CHWSQXEVSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409335496 1072338552 /nfs/dbraw/zinc/33/85/52/1072338552.db2.gz OMSKDQMRWXHLOP-STQMWFEESA-N -1 0 581.261 5.178 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409334633 1072345017 /nfs/dbraw/zinc/34/50/17/1072345017.db2.gz UPYMSYIZEIZCDE-UHFFFAOYSA-N -1 0 716.370 6.979 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409332531 1072359395 /nfs/dbraw/zinc/35/93/95/1072359395.db2.gz GYGPGJMJZSNYTI-UHFFFAOYSA-N -1 0 748.266 7.900 40 30 KKEBRM O=C([O-])COc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br ZINC000409102563 1072364696 /nfs/dbraw/zinc/36/46/96/1072364696.db2.gz YPSNVPPGFLOKRG-GEVRCRHISA-N -1 0 541.074 5.048 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409331415 1072369847 /nfs/dbraw/zinc/36/98/47/1072369847.db2.gz DADHXGUAXLYWGT-ZIAGYGMSSA-N -1 0 595.288 5.568 40 30 KKEBRM O=C([O-])c1cccc(COc2c(I)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2I)c1 ZINC000409330426 1072377612 /nfs/dbraw/zinc/37/76/12/1072377612.db2.gz AKHNOOLEOKLVMP-UHFFFAOYSA-N -1 0 812.240 7.575 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000409330393 1072377667 /nfs/dbraw/zinc/37/76/67/1072377667.db2.gz AAOQHYDTQKWGIS-GOSISDBHSA-N -1 0 551.441 5.253 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br ZINC000409327654 1072400154 /nfs/dbraw/zinc/40/01/54/1072400154.db2.gz VQMYMFHJCUXRLA-UHFFFAOYSA-N -1 0 642.142 6.077 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC000409327389 1072402972 /nfs/dbraw/zinc/40/29/72/1072402972.db2.gz SVVHUMISIXOOEK-UHFFFAOYSA-N -1 0 722.228 7.195 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409337080 1072404680 /nfs/dbraw/zinc/40/46/80/1072404680.db2.gz WORWGCJCRSVMJO-RYUDHWBXSA-N -1 0 585.680 5.823 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc2c(c1)OCO2 ZINC000409336951 1072405790 /nfs/dbraw/zinc/40/57/90/1072405790.db2.gz RJFBTULSQDDMTP-PAWBPZTRSA-N -1 0 509.609 5.225 40 30 KKEBRM C=CCOc1c(Br)cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1Br ZINC000409336986 1072406476 /nfs/dbraw/zinc/40/64/76/1072406476.db2.gz RZEZACGJKFQAEI-YWOMYESRSA-N -1 0 529.279 5.608 40 30 KKEBRM Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409107911 1072411748 /nfs/dbraw/zinc/41/17/48/1072411748.db2.gz YBSDALQSQWBAIK-AFUMVMLFSA-N -1 0 509.612 5.974 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409344587 1072431718 /nfs/dbraw/zinc/43/17/18/1072431718.db2.gz HGKUJJAPCGEVQP-YBFXNURJSA-N -1 0 534.453 5.051 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409349145 1072553300 /nfs/dbraw/zinc/55/33/00/1072553300.db2.gz RNJWUVWOUJFBEO-OAQYLSRUSA-N -1 0 576.506 5.717 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409373412 1072641092 /nfs/dbraw/zinc/64/10/92/1072641092.db2.gz RUJLSYBUSOJAIF-LPYMAVHISA-N -1 0 551.393 5.020 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1Br ZINC000409148441 1072642211 /nfs/dbraw/zinc/64/22/11/1072642211.db2.gz PTQDYROWWDEDBN-LICLKQGHSA-N -1 0 608.283 5.236 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409148153 1072643790 /nfs/dbraw/zinc/64/37/90/1072643790.db2.gz OUEBRXSAPKBESQ-YZSQISJMSA-N -1 0 535.662 6.708 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409166069 1072650024 /nfs/dbraw/zinc/65/00/24/1072650024.db2.gz CPILVHPOPCCQSW-FSJBWODESA-N -1 0 534.977 5.734 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409370417 1072654334 /nfs/dbraw/zinc/65/43/34/1072654334.db2.gz QMULCMYQOWQUOG-NLRVBDNBSA-N -1 0 526.658 5.787 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409370230 1072655291 /nfs/dbraw/zinc/65/52/91/1072655291.db2.gz NFSJRTHPCUXWGK-OVVQPSECSA-N -1 0 540.685 6.095 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409379285 1072671062 /nfs/dbraw/zinc/67/10/62/1072671062.db2.gz VSLFCCIBVYIZBH-YDZHTSKRSA-N -1 0 546.048 5.583 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000409379210 1072672134 /nfs/dbraw/zinc/67/21/34/1072672134.db2.gz VMBXGTWZLLCFKE-LPYMAVHISA-N -1 0 546.446 5.293 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385425 1072692919 /nfs/dbraw/zinc/69/29/19/1072692919.db2.gz LOTRNIJEVVAVPG-CTRSHLJDSA-N -1 0 541.585 5.765 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385236 1072693939 /nfs/dbraw/zinc/69/39/39/1072693939.db2.gz IREWYVUDZHZNHZ-XKZIYDEJSA-N -1 0 505.665 6.241 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409385083 1072694783 /nfs/dbraw/zinc/69/47/83/1072694783.db2.gz HHNLACXPRQJJFZ-YDZHTSKRSA-N -1 0 637.499 5.534 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000409385011 1072695704 /nfs/dbraw/zinc/69/57/04/1072695704.db2.gz HOHPPEJCKFUWQL-CGVWRCKLSA-N -1 0 623.687 6.902 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409175043 1072718788 /nfs/dbraw/zinc/71/87/88/1072718788.db2.gz YMCXJFNHPGSHOG-JVWAILMASA-N -1 0 554.624 6.199 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409388206 1072738819 /nfs/dbraw/zinc/73/88/19/1072738819.db2.gz SVFNTLTYWJNFBC-OEAKJJBVSA-N -1 0 581.521 6.703 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409169266 1072751599 /nfs/dbraw/zinc/75/15/99/1072751599.db2.gz WHJCTPHYJPUWOS-FSJBWODESA-N -1 0 596.402 5.677 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409405809 1072760602 /nfs/dbraw/zinc/76/06/02/1072760602.db2.gz VRDIGPMPZSMHLR-UHFFFAOYSA-N -1 0 509.949 5.876 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409405249 1072762871 /nfs/dbraw/zinc/76/28/71/1072762871.db2.gz NVTFROZEEYNLQT-UHFFFAOYSA-N -1 0 601.251 5.333 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409405480 1072762882 /nfs/dbraw/zinc/76/28/82/1072762882.db2.gz UVXLPVOCLAOTGU-UHFFFAOYSA-N -1 0 618.871 6.647 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409403925 1072768168 /nfs/dbraw/zinc/76/81/68/1072768168.db2.gz NOJLZLYNUVDYCG-CQSZACIVSA-N -1 0 556.800 5.222 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)c1 ZINC000409403969 1072768667 /nfs/dbraw/zinc/76/86/67/1072768667.db2.gz NZCGHHCQLNOQAH-UHFFFAOYSA-N -1 0 544.394 6.530 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)cc1 ZINC000409402808 1072774506 /nfs/dbraw/zinc/77/45/06/1072774506.db2.gz JLJHLVGXRWZMHY-UHFFFAOYSA-N -1 0 727.296 6.432 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409190529 1072868934 /nfs/dbraw/zinc/86/89/34/1072868934.db2.gz YZHVEWWZFIXTSI-RUMWWMSVSA-N -1 0 648.756 7.396 40 30 KKEBRM C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531114812 1072934115 /nfs/dbraw/zinc/93/41/15/1072934115.db2.gz RDKHXSSJJDDHQM-FZPRHHONSA-N -1 0 604.501 6.353 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531123980 1072937686 /nfs/dbraw/zinc/93/76/86/1072937686.db2.gz WOEPMSALLLXGTD-CPDSRJINSA-N -1 0 613.306 6.378 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531124466 1072938126 /nfs/dbraw/zinc/93/81/26/1072938126.db2.gz USWVMBRJUHDYPP-CPDSRJINSA-N -1 0 568.855 6.269 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531128363 1072938654 /nfs/dbraw/zinc/93/86/54/1072938654.db2.gz DZZBDJWYRZLFAP-UGGTXAHQSA-N -1 0 615.706 5.615 40 30 KKEBRM COc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409208401 1072939014 /nfs/dbraw/zinc/93/90/14/1072939014.db2.gz FTFJXRCLGXAVGJ-DHRITJCHSA-N -1 0 501.320 5.636 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC001531131597 1072939980 /nfs/dbraw/zinc/93/99/80/1072939980.db2.gz NUGLITNQXNXIAR-UGGZHSSNSA-N -1 0 630.131 5.716 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531135951 1072941227 /nfs/dbraw/zinc/94/12/27/1072941227.db2.gz AQSFSUAQEBXCRU-CPDSRJINSA-N -1 0 568.855 6.269 40 30 KKEBRM C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531136044 1072941368 /nfs/dbraw/zinc/94/13/68/1072941368.db2.gz PSZSDSKMPBTCDV-FZPRHHONSA-N -1 0 604.501 6.353 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531138483 1072941698 /nfs/dbraw/zinc/94/16/98/1072941698.db2.gz AHRXJCVECIRJOO-VTNSRFBWSA-N -1 0 590.474 6.008 40 30 KKEBRM CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409216569 1072946083 /nfs/dbraw/zinc/94/60/83/1072946083.db2.gz JKORBZGHKJHNGK-UVHMKAGCSA-N -1 0 502.792 6.837 40 30 KKEBRM COc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409215616 1072948850 /nfs/dbraw/zinc/94/88/50/1072948850.db2.gz CJISUFBQNGLNJC-RPPGKUMJSA-N -1 0 535.765 6.289 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409214992 1072950512 /nfs/dbraw/zinc/95/05/12/1072950512.db2.gz VSIVEAYBLKLNJL-KTZUFFFVSA-N -1 0 517.047 6.105 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409214445 1072952554 /nfs/dbraw/zinc/95/25/54/1072952554.db2.gz XLIJDSQCRWYOHL-UVHMKAGCSA-N -1 0 502.792 6.837 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531170449 1072954527 /nfs/dbraw/zinc/95/45/27/1072954527.db2.gz ZQZQGBYMIMXFCK-CNCDYAKUSA-N -1 0 657.359 6.777 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531178011 1072956369 /nfs/dbraw/zinc/95/63/69/1072956369.db2.gz WLIKCPVLVUZELZ-DMWKKASYSA-N -1 0 736.255 7.540 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC001531186478 1072958802 /nfs/dbraw/zinc/95/88/02/1072958802.db2.gz FUWFINHONVXKLQ-MUXKCCDJSA-N -1 0 521.415 5.444 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531195422 1072962081 /nfs/dbraw/zinc/96/20/81/1072962081.db2.gz BTWAXWKRFQMQOY-FDVSRXAVSA-N -1 0 534.410 5.616 40 30 KKEBRM Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409210606 1072964610 /nfs/dbraw/zinc/96/46/10/1072964610.db2.gz FWTZCCZKJGGNOU-KBKYJPHKSA-N -1 0 537.635 7.201 40 30 KKEBRM CN(C)c1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC001531210063 1072968729 /nfs/dbraw/zinc/96/87/29/1072968729.db2.gz PXJVLJDCABORPE-ACXHZZMFSA-N -1 0 577.479 5.682 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC001531225216 1072974979 /nfs/dbraw/zinc/97/49/79/1072974979.db2.gz XMCPGVLXXQVHDU-JELCJJKJSA-N -1 0 595.288 5.352 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531227115 1072977268 /nfs/dbraw/zinc/97/72/68/1072977268.db2.gz QIHYQXRGKQLHAJ-JNKHFKFZSA-N -1 0 647.751 7.248 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531229863 1072978815 /nfs/dbraw/zinc/97/88/15/1072978815.db2.gz KACIDLYVTRADAO-YTFKJPEKSA-N -1 0 691.804 7.647 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531230299 1072979871 /nfs/dbraw/zinc/97/98/71/1072979871.db2.gz SEHHVPVNEMPRKQ-OKCVXOCRSA-N -1 0 564.436 5.670 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409225191 1072980888 /nfs/dbraw/zinc/98/08/88/1072980888.db2.gz JRPDTOGEMVBRTH-VCUCLJMBSA-N -1 0 644.487 6.210 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531231779 1072984398 /nfs/dbraw/zinc/98/43/98/1072984398.db2.gz XLGUYGRNHDJUPG-IPPBACCNSA-N -1 0 599.279 6.033 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC001531235890 1072989265 /nfs/dbraw/zinc/98/92/65/1072989265.db2.gz FKYHTQYQVJMUSS-UZGQRAPBSA-N -1 0 536.810 5.069 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531238821 1072994839 /nfs/dbraw/zinc/99/48/39/1072994839.db2.gz XNTMUPBLOZYMRB-SFXOIRTMSA-N -1 0 550.837 5.459 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC001531238908 1072995362 /nfs/dbraw/zinc/99/53/62/1072995362.db2.gz ZIJCARDEPSHBLN-UQJRAWQTSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531245309 1073003979 /nfs/dbraw/zinc/00/39/79/1073003979.db2.gz ZPXVNTBMLSXJQC-AMVVHIIESA-N -1 0 613.852 6.223 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531256508 1073013334 /nfs/dbraw/zinc/01/33/34/1073013334.db2.gz GSRULUTYLRNCAT-BRQOLZEGSA-N -1 0 579.407 5.740 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC001531256571 1073014179 /nfs/dbraw/zinc/01/41/79/1073014179.db2.gz OTJIVIVRSBEVIF-CQZTYCMPSA-N -1 0 542.430 5.144 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531256695 1073014604 /nfs/dbraw/zinc/01/46/04/1073014604.db2.gz VELJTEJUZIRHAS-XAZZYMPDSA-N -1 0 603.300 6.968 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531263379 1073020641 /nfs/dbraw/zinc/02/06/41/1073020641.db2.gz QIUDTFGLGLSGIO-WKULSOCRSA-N -1 0 579.407 5.569 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531263532 1073021601 /nfs/dbraw/zinc/02/16/01/1073021601.db2.gz VZWGCRGVNPNTGD-MWWLPYSISA-N -1 0 615.706 5.831 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC001531263530 1073021625 /nfs/dbraw/zinc/02/16/25/1073021625.db2.gz VZSXPCYZTDBHBR-KIBLKLHPSA-N -1 0 571.653 5.263 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531265203 1073025704 /nfs/dbraw/zinc/02/57/04/1073025704.db2.gz USRMTVNTDCJSCR-IBBHUPRXSA-N -1 0 598.881 6.323 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC001531268616 1073027826 /nfs/dbraw/zinc/02/78/26/1073027826.db2.gz MHQMYAVMBQLOQM-KPGMTVGESA-N -1 0 657.359 6.822 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC001531268685 1073029041 /nfs/dbraw/zinc/02/90/41/1073029041.db2.gz XJOOBLNJDIIEIB-RTHFECFVSA-N -1 0 643.332 6.603 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531268937 1073030861 /nfs/dbraw/zinc/03/08/61/1073030861.db2.gz NQCGKTVGKOUFRQ-VVEOGCPPSA-N -1 0 772.175 6.480 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC001531269670 1073032568 /nfs/dbraw/zinc/03/25/68/1073032568.db2.gz BOPRZGHLCDMXBI-SRIQITJBSA-N -1 0 558.068 5.785 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409235281 1073044734 /nfs/dbraw/zinc/04/47/34/1073044734.db2.gz ONVQSRLPLNUBFP-GYLBKSORSA-N -1 0 611.514 6.758 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531282422 1073048145 /nfs/dbraw/zinc/04/81/45/1073048145.db2.gz XFUBCMBVFREKLF-VVEOGCPPSA-N -1 0 633.724 6.687 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531283229 1073049761 /nfs/dbraw/zinc/04/97/61/1073049761.db2.gz NNMWWBIIQPQBSI-IPPBACCNSA-N -1 0 554.828 5.924 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21 ZINC001531283270 1073050089 /nfs/dbraw/zinc/05/00/89/1073050089.db2.gz RTSYVRSSYDSTRX-CQZTYCMPSA-N -1 0 522.399 5.560 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@H](C)C(=O)[O-])ccc2ccccc21 ZINC001531283272 1073050194 /nfs/dbraw/zinc/05/01/94/1073050194.db2.gz RTSYVRSSYDSTRX-OLVSFFJFSA-N -1 0 522.399 5.560 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@H](C)C(=O)[O-])ccc2ccccc21 ZINC001531283273 1073050723 /nfs/dbraw/zinc/05/07/23/1073050723.db2.gz RTSYVRSSYDSTRX-YHHORUTKSA-N -1 0 522.399 5.560 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531289761 1073057492 /nfs/dbraw/zinc/05/74/92/1073057492.db2.gz WSBDUCCJRBDQAA-XAZZYMPDSA-N -1 0 692.202 7.186 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001531292002 1073062596 /nfs/dbraw/zinc/06/25/96/1073062596.db2.gz DRRAJYBQEZICHK-RPPGKUMJSA-N -1 0 514.763 5.605 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531297282 1073071537 /nfs/dbraw/zinc/07/15/37/1073071537.db2.gz YIKKXFAQTZTQGP-ZJIVOUCISA-N -1 0 579.407 5.740 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409246916 1073073981 /nfs/dbraw/zinc/07/39/81/1073073981.db2.gz KYYLZYGDYWQVQI-VUJYMNLJSA-N -1 0 520.582 6.126 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCC(=O)[O-] ZINC001531310261 1073087207 /nfs/dbraw/zinc/08/72/07/1073087207.db2.gz OELOKPWPLUMIOW-RCMPGLAHSA-N -1 0 536.810 5.070 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531312241 1073089591 /nfs/dbraw/zinc/08/95/91/1073089591.db2.gz NBRKJLBGJWZEJO-BRQOLZEGSA-N -1 0 579.407 5.740 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531318313 1073094662 /nfs/dbraw/zinc/09/46/62/1073094662.db2.gz IQNZVHXMRBYEPT-VTNSRFBWSA-N -1 0 571.475 6.393 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC001531318676 1073095274 /nfs/dbraw/zinc/09/52/74/1073095274.db2.gz QLKUTQKQJHOQPS-GNZFJNCUSA-N -1 0 598.235 5.011 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCC(=O)[O-] ZINC001531319240 1073096990 /nfs/dbraw/zinc/09/69/90/1073096990.db2.gz IOKBMTUMSWSDSD-KXVDBBMMSA-N -1 0 542.430 5.145 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001531325232 1073098897 /nfs/dbraw/zinc/09/88/97/1073098897.db2.gz AONSGPICYJAVDZ-UFTMPCDOSA-N -1 0 596.232 5.077 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531325369 1073100398 /nfs/dbraw/zinc/10/03/98/1073100398.db2.gz OPWPHDUOYPMZHB-XWNUSCQOSA-N -1 0 615.706 5.660 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531325593 1073100968 /nfs/dbraw/zinc/10/09/68/1073100968.db2.gz WSMZQMKPQGRFOW-CPKNUWDISA-N -1 0 604.501 6.569 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531326182 1073101924 /nfs/dbraw/zinc/10/19/24/1073101924.db2.gz CRNZTTCKNHZYJR-VFLNYLIXSA-N -1 0 644.276 5.942 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC001531326135 1073101942 /nfs/dbraw/zinc/10/19/42/1073101942.db2.gz AXNZDGDJDWJRKU-DXRBVMPTSA-N -1 0 534.410 5.832 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1OCC(=O)[O-] ZINC001531326499 1073104032 /nfs/dbraw/zinc/10/40/32/1073104032.db2.gz BLOFZDBOQSULER-CZSGUXBISA-N -1 0 615.706 5.833 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531332041 1073113588 /nfs/dbraw/zinc/11/35/88/1073113588.db2.gz CGMGQHGRPNOFOX-JNKHFKFZSA-N -1 0 647.751 7.248 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC001531332034 1073113641 /nfs/dbraw/zinc/11/36/41/1073113641.db2.gz BORZEELOUQWCBG-HIWRWHBISA-N -1 0 722.228 7.195 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC001531336967 1073120750 /nfs/dbraw/zinc/12/07/50/1073120750.db2.gz GYABFMJCWBDHSU-UFTMPCDOSA-N -1 0 596.232 5.077 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531339529 1073126019 /nfs/dbraw/zinc/12/60/19/1073126019.db2.gz VCWPTVOJTMBOMU-JYSVBTJUSA-N -1 0 571.475 6.564 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531342611 1073130840 /nfs/dbraw/zinc/13/08/40/1073130840.db2.gz AOCZWZAXCHFSJL-ZTCTXGLISA-N -1 0 564.436 5.841 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001531342743 1073132003 /nfs/dbraw/zinc/13/20/03/1073132003.db2.gz KTMQZZCZKHJPIQ-NSCUCBQXSA-N -1 0 528.790 6.166 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531347435 1073137970 /nfs/dbraw/zinc/13/79/70/1073137970.db2.gz DSJQJCVVJWNOSU-QJTZLFFHSA-N -1 0 618.528 6.959 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531347540 1073138583 /nfs/dbraw/zinc/13/85/83/1073138583.db2.gz LUFAVMHFVUJTEU-VCEHOBFASA-N -1 0 601.679 5.270 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409249282 1073144283 /nfs/dbraw/zinc/14/42/83/1073144283.db2.gz KAWGJWVZFLRXDZ-CSBWODFHSA-N -1 0 567.461 6.359 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531382830 1073147839 /nfs/dbraw/zinc/14/78/39/1073147839.db2.gz NXIQEGNMVIBOIE-DPNNOFEESA-N -1 0 598.453 6.384 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC001531385559 1073168201 /nfs/dbraw/zinc/16/82/01/1073168201.db2.gz VRDIGPMPZSMHLR-KBVAKVRCSA-N -1 0 509.949 5.876 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409275351 1073299486 /nfs/dbraw/zinc/29/94/86/1073299486.db2.gz IRXZJNSNXQIVIH-UHFFFAOYSA-N -1 0 638.946 7.418 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000409277190 1073321431 /nfs/dbraw/zinc/32/14/31/1073321431.db2.gz AFMBLROFOJWKQQ-UHFFFAOYSA-N -1 0 529.177 6.467 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000409276968 1073325193 /nfs/dbraw/zinc/32/51/93/1073325193.db2.gz ADGPNZUTGMHTNC-UHFFFAOYSA-N -1 0 534.410 5.616 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccccc3C(=O)[O-])o2)cc1C(C)C ZINC000409286875 1073341645 /nfs/dbraw/zinc/34/16/45/1073341645.db2.gz RBWXWVSYBHSTRO-UHFFFAOYSA-N -1 0 521.573 6.344 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)cc21 ZINC000409286580 1073344977 /nfs/dbraw/zinc/34/49/77/1073344977.db2.gz YYJPPHMSOSXWCZ-UHFFFAOYSA-N -1 0 671.447 6.582 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)cc21 ZINC000409286566 1073344981 /nfs/dbraw/zinc/34/49/81/1073344981.db2.gz ZBSIXYRGUDSPKD-UHFFFAOYSA-N -1 0 539.931 6.312 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409286597 1073345447 /nfs/dbraw/zinc/34/54/47/1073345447.db2.gz ZDVIXBFGIZLTGS-UHFFFAOYSA-N -1 0 571.475 6.348 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409286464 1073346775 /nfs/dbraw/zinc/34/67/75/1073346775.db2.gz YRTMAKBIQVJXFU-UHFFFAOYSA-N -1 0 584.415 7.276 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc2n1CC(=O)[O-] ZINC000409285643 1073353708 /nfs/dbraw/zinc/35/37/08/1073353708.db2.gz XXJPRNRFFHPLAP-UHFFFAOYSA-N -1 0 504.468 5.312 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC000409285609 1073356322 /nfs/dbraw/zinc/35/63/22/1073356322.db2.gz UKQBSFWGPAZDIH-UHFFFAOYSA-N -1 0 557.626 5.044 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c([O-])c(Br)c2)cc1C(C)C ZINC000409285437 1073357569 /nfs/dbraw/zinc/35/75/69/1073357569.db2.gz NTNRELXWKBTPEX-UHFFFAOYSA-N -1 0 540.845 6.508 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-] ZINC000409285240 1073358631 /nfs/dbraw/zinc/35/86/31/1073358631.db2.gz WWQZPTLNSFJRIR-UHFFFAOYSA-N -1 0 553.314 5.370 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cccc2[N+](=O)[O-])cc1 ZINC000409285321 1073359810 /nfs/dbraw/zinc/35/98/10/1073359810.db2.gz NHPPFTJOHXGUPQ-UHFFFAOYSA-N -1 0 560.522 5.877 40 30 KKEBRM C[C@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409285193 1073361596 /nfs/dbraw/zinc/36/15/96/1073361596.db2.gz VQXBLVRQJUEJOW-INIZCTEOSA-N -1 0 530.968 5.263 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409285023 1073362902 /nfs/dbraw/zinc/36/29/02/1073362902.db2.gz SMQIYTIRPNKVPP-HNNXBMFYSA-N -1 0 702.299 6.310 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1ccc(OCC(=O)[O-])cc1 ZINC000409284998 1073362935 /nfs/dbraw/zinc/36/29/35/1073362935.db2.gz VVBQZRKAMLWLOJ-UHFFFAOYSA-N -1 0 532.556 5.563 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Br)c1 ZINC000409284840 1073364070 /nfs/dbraw/zinc/36/40/70/1073364070.db2.gz VJXBHHRKSMNOJJ-UHFFFAOYSA-N -1 0 656.842 7.658 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409284467 1073369524 /nfs/dbraw/zinc/36/95/24/1073369524.db2.gz LLAMRFZWLWWJJM-UHFFFAOYSA-N -1 0 594.023 7.021 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OC)c1OCC(=O)[O-] ZINC000409284246 1073370293 /nfs/dbraw/zinc/37/02/93/1073370293.db2.gz UUMZOJDVTATBAE-UHFFFAOYSA-N -1 0 569.658 5.977 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)ccc1OCC(=O)[O-] ZINC000409284067 1073371390 /nfs/dbraw/zinc/37/13/90/1073371390.db2.gz SVOTWDOQDRGPCR-UHFFFAOYSA-N -1 0 543.620 5.638 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409283930 1073373008 /nfs/dbraw/zinc/37/30/08/1073373008.db2.gz RQVKOIZQFMGQAA-UHFFFAOYSA-N -1 0 536.382 5.026 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409283977 1073373644 /nfs/dbraw/zinc/37/36/44/1073373644.db2.gz RTXMGHSCHFXHHD-UHFFFAOYSA-N -1 0 751.815 8.546 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409283994 1073374016 /nfs/dbraw/zinc/37/40/16/1073374016.db2.gz KHZPVEZBOBBWPM-UHFFFAOYSA-N -1 0 699.558 7.724 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409283697 1073376871 /nfs/dbraw/zinc/37/68/71/1073376871.db2.gz SNBUSEOEKYDUNY-UHFFFAOYSA-N -1 0 550.409 5.450 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc([N+](=O)[O-])c3O[C@H](C)C(=O)[O-])cc21 ZINC000409283562 1073378542 /nfs/dbraw/zinc/37/85/42/1073378542.db2.gz RWTRHFBQSUQXKY-CQSZACIVSA-N -1 0 562.922 5.114 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409283317 1073378845 /nfs/dbraw/zinc/37/88/45/1073378845.db2.gz PECJPHREUCPZNA-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409283118 1073383303 /nfs/dbraw/zinc/38/33/03/1073383303.db2.gz QCZCCFGTJZCULB-OAHLLOKOSA-N -1 0 610.848 6.358 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409282877 1073384138 /nfs/dbraw/zinc/38/41/38/1073384138.db2.gz PKEXIHYNDOWZFV-UHFFFAOYSA-N -1 0 599.279 6.204 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409282745 1073385851 /nfs/dbraw/zinc/38/58/51/1073385851.db2.gz NRHUMMMOOSLZLS-UHFFFAOYSA-N -1 0 601.251 5.398 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409282790 1073386483 /nfs/dbraw/zinc/38/64/83/1073386483.db2.gz QOYPNHDUSXFOGQ-AWEZNQCLSA-N -1 0 596.821 5.968 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)cc1C(C)C ZINC000409282582 1073387584 /nfs/dbraw/zinc/38/75/84/1073387584.db2.gz HJNOSGFGQSANAL-UHFFFAOYSA-N -1 0 745.614 8.057 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409282604 1073388070 /nfs/dbraw/zinc/38/80/70/1073388070.db2.gz HKRKNFLWWMSQPW-UHFFFAOYSA-N -1 0 683.397 7.527 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409282047 1073394625 /nfs/dbraw/zinc/39/46/25/1073394625.db2.gz FXFWBOFIVXARKW-OAQYLSRUSA-N -1 0 512.610 5.586 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409281720 1073397498 /nfs/dbraw/zinc/39/74/98/1073397498.db2.gz NYOPVMAAKDZMGE-UHFFFAOYSA-N -1 0 564.038 5.902 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(C3C4=C(CCCC4=O)N(CC(=O)[O-])C4=C3C(=O)CCC4)cc2Br)cc1 ZINC000409049646 195497163 /nfs/dbraw/zinc/49/71/63/195497163.db2.gz XNJZWLWFXSVVEC-UHFFFAOYSA-N -1 0 679.383 5.786 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 ZINC000000660402 551516093 /nfs/dbraw/zinc/51/60/93/551516093.db2.gz IMZAVYMRUKRSKH-UHFFFAOYSA-N -1 0 536.024 5.816 40 30 KKEBRM CCOC(=O)[C@H](Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000825156 551544727 /nfs/dbraw/zinc/54/47/27/551544727.db2.gz AACWRHFJUHVMRP-OFGWUUMASA-N -1 0 511.361 5.220 40 30 KKEBRM N#CC1(c2ccccc2)C(c2ccccc2)=CC(=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C=C1c1ccccc1 ZINC000001591145 551685438 /nfs/dbraw/zinc/68/54/38/551685438.db2.gz VNGDVIJHQBJNBG-UHFFFAOYSA-N -1 0 533.587 6.208 40 30 KKEBRM COc1cc(C=Nn2c(=S)[n-]nc2Cc2cccc3ccccc32)cc(Br)c1OCc1ccccc1 ZINC000002630336 552139648 /nfs/dbraw/zinc/13/96/48/552139648.db2.gz NEWUDFCQOCSIJH-OCSSWDANSA-N -1 0 559.489 6.917 40 30 KKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1[O-] ZINC000003116436 552290372 /nfs/dbraw/zinc/29/03/72/552290372.db2.gz GCSJPDHMDBJKJK-RPPGKUMJSA-N -1 0 504.296 6.481 40 30 KKEBRM O=C(Oc1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1)c1ccc(Cl)cc1Cl ZINC000003146091 552297115 /nfs/dbraw/zinc/29/71/15/552297115.db2.gz DVHNMDRYMLDIQO-FJEPWZHXSA-N -1 0 503.341 7.477 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(OCC)c2)C2=C1CC(C)(C)CC2=O ZINC000008396213 552995047 /nfs/dbraw/zinc/99/50/47/552995047.db2.gz DYUUTPHZRNUKII-UHFFFAOYSA-N -1 0 509.643 5.644 40 30 KKEBRM CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]3C(=O)C=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]4(C)[C@]3(C)CC[C@H]12 ZINC000008655667 553108687 /nfs/dbraw/zinc/10/86/87/553108687.db2.gz KBLYXYBUIJSJAE-WZYGQBGMSA-N -1 0 570.767 6.527 40 30 KKEBRM CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC)c1ccc(OC(F)F)cc1 ZINC000012311374 553357366 /nfs/dbraw/zinc/35/73/66/553357366.db2.gz DUYXJIHYMFOAJO-NLRVBDNBSA-N -1 0 520.514 5.232 40 30 KKEBRM CCCCCCCCCCCCCCCCOCCCO[P@](=O)([O-])CO[C@H](CO)Cn1ccc(N)nc1=O ZINC000014141521 553502964 /nfs/dbraw/zinc/50/29/64/553502964.db2.gz WXJFKKQWPMNTIM-VWLOTQADSA-N -1 0 561.701 5.251 40 30 investigational KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1[O-] ZINC000016450155 553565108 /nfs/dbraw/zinc/56/51/08/553565108.db2.gz LVAJSVJRMLYGDN-FJEPWZHXSA-N -1 0 519.907 6.151 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000070669969 553599775 /nfs/dbraw/zinc/59/97/75/553599775.db2.gz MISRCEKKHJVMIX-ISOFEBTASA-N -1 0 574.718 5.504 40 30 KKEBRM COc1ccccc1[C@H](C#N)N1CCCN([C@H](C#N)c2ccccc2OC)C1c1cc(Cl)cc(Cl)c1[O-] ZINC000019326026 553613456 /nfs/dbraw/zinc/61/34/56/553613456.db2.gz HBZPDFHHUQKGPV-XUEDKKMFSA-N -1 0 537.447 6.252 40 30 KKEBRM COC(=O)C(=C([O-])C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 ZINC000082190848 553675808 /nfs/dbraw/zinc/67/58/08/553675808.db2.gz RFXGTFMPZFBPSY-VWLOTQADSA-N -1 0 635.580 6.704 40 30 KKEBRM CC[C@H](C)[C@H](NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000085902460 553691351 /nfs/dbraw/zinc/69/13/51/553691351.db2.gz PLKXUFTWZZOUBY-BPMQFVEYSA-N -1 0 500.680 5.143 40 30 KKEBRM O=P([O-])(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000094303190 553695861 /nfs/dbraw/zinc/69/58/61/553695861.db2.gz ZDYYWMSLMLTXDM-UHFFFAOYSA-N -1 0 790.166 9.378 40 30 in-vitro KKEBRM CCCCCCCCN1C(=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 ZINC000094303225 553696065 /nfs/dbraw/zinc/69/60/65/553696065.db2.gz WZGXSNHXTGGEGJ-XPXSWUFESA-N -1 0 826.122 9.529 40 30 in-vitro KKEBRM [O-]c1c(Br)cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Br ZINC000095663364 553706776 /nfs/dbraw/zinc/70/67/76/553706776.db2.gz QKOOTYBFCSHOOP-MPUCSWFWSA-N -1 0 522.049 6.794 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000096022324 553720699 /nfs/dbraw/zinc/72/06/99/553720699.db2.gz JYOFLZLSAHBBGN-GJRHSESZSA-N -1 0 544.589 5.744 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccccc2Br)c(C)c1 ZINC000025389518 553806972 /nfs/dbraw/zinc/80/69/72/553806972.db2.gz CEDCYIKEKINCQY-YDZHTSKRSA-N -1 0 503.378 5.221 40 30 KKEBRM O=C(Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000097982480 554002790 /nfs/dbraw/zinc/00/27/90/554002790.db2.gz PSDIZJXAPZIGFE-RWPZCVJISA-N -1 0 551.968 5.109 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000035105360 554034993 /nfs/dbraw/zinc/03/49/93/554034993.db2.gz QEYUAMOEHCQAOC-QQXSKIMKSA-N -1 0 504.515 5.450 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000035656812 554062049 /nfs/dbraw/zinc/06/20/49/554062049.db2.gz LZUWFXTWBPJOKY-ACQOKJFWSA-N -1 0 516.619 6.295 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000035656976 554062244 /nfs/dbraw/zinc/06/22/44/554062244.db2.gz LWYYEBUKQPNLNO-WSCLTDIXSA-N -1 0 508.983 5.860 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000035656854 554062325 /nfs/dbraw/zinc/06/23/25/554062325.db2.gz FFKALHZIMYYLIZ-KSUKIFKWSA-N -1 0 523.010 6.250 40 30 KKEBRM CCCCCCCCCCCCCOC[C@@H](O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c([O-])c1 ZINC000100042272 554192719 /nfs/dbraw/zinc/19/27/19/554192719.db2.gz PSMYELRXRQIDAX-MGBGTMOVSA-N -1 0 653.908 9.879 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000100236729 554258828 /nfs/dbraw/zinc/25/88/28/554258828.db2.gz HHFOYDMMDUXFLV-RVIFBOBDSA-N -1 0 543.395 5.318 40 30 KKEBRM CC/N=C1\S/C(=C/c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)C(=O)N1CC ZINC000100249002 554262049 /nfs/dbraw/zinc/26/20/49/554262049.db2.gz MMPOZSVIBIXQKV-GQKMNLJRSA-N -1 0 533.444 5.437 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000100252749 554263507 /nfs/dbraw/zinc/26/35/07/554263507.db2.gz RFEPZYPCKNNZTJ-JAIQZWGSSA-N -1 0 608.297 6.933 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OCC(=O)[O-] ZINC000100275568 554272186 /nfs/dbraw/zinc/27/21/86/554272186.db2.gz WGIAKOFWUJBMKQ-FLNDSNKGSA-N -1 0 541.629 5.877 40 30 KKEBRM O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c(Cl)c1 ZINC000038162637 554273646 /nfs/dbraw/zinc/27/36/46/554273646.db2.gz GAJFJFUAAUCRKI-YSURURNPSA-N -1 0 500.692 5.268 40 30 KKEBRM Cc1ccc(COc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100313973 554302034 /nfs/dbraw/zinc/30/20/34/554302034.db2.gz NDBFLUMWHRHCIU-UHFFFAOYSA-N -1 0 541.688 6.734 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000100316573 554302992 /nfs/dbraw/zinc/30/29/92/554302992.db2.gz PDSCXUZZGFSNCJ-YSURURNPSA-N -1 0 602.132 5.207 40 30 KKEBRM O=c1c(N=Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000100408112 554374442 /nfs/dbraw/zinc/37/44/42/554374442.db2.gz YXCVSPDPSODQPU-WEMUVCOSSA-N -1 0 570.394 6.810 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OC ZINC000059105041 554380058 /nfs/dbraw/zinc/38/00/58/554380058.db2.gz RSIBORCYBMGGTC-VULFUBBASA-N -1 0 526.633 6.407 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000059135608 554381464 /nfs/dbraw/zinc/38/14/64/554381464.db2.gz BYUQZVBGAKKLDQ-BUVRLJJBSA-N -1 0 518.516 6.178 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000059135584 554381601 /nfs/dbraw/zinc/38/16/01/554381601.db2.gz WJYVPZHKGDSNRU-BUVRLJJBSA-N -1 0 500.526 5.957 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000059136350 554382556 /nfs/dbraw/zinc/38/25/56/554382556.db2.gz NVCLRYAXHHHKFQ-XIEYBQDHSA-N -1 0 522.601 6.958 40 30 KKEBRM O=[N+]([O-])c1cc(/C=N/c2ccc3nc(Sc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)sc3c2)ccc1[O-] ZINC000100455374 554396108 /nfs/dbraw/zinc/39/61/08/554396108.db2.gz XMYXRIFPSAQMFI-OCSSWDANSA-N -1 0 592.666 7.484 40 30 KKEBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC#N ZINC000059861126 554456328 /nfs/dbraw/zinc/45/63/28/554456328.db2.gz JPYYPCPLLUPQQM-ZMOGYAJESA-N -1 0 511.578 5.572 40 30 KKEBRM CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)[O-] ZINC000064858333 554518566 /nfs/dbraw/zinc/51/85/66/554518566.db2.gz KLRDCIPGNCOJEG-GDLZYMKVSA-O -1 0 652.827 7.188 40 30 in-vitro KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 ZINC000100935620 554529520 /nfs/dbraw/zinc/52/95/20/554529520.db2.gz MBJVFEZCVNWSBB-QCOBGISKSA-N -1 0 602.370 8.545 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100936691 554530670 /nfs/dbraw/zinc/53/06/70/554530670.db2.gz XOHMIKNHYWVCIS-HMGGVMEDSA-N -1 0 603.494 7.122 40 30 KKEBRM CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100940461 554532254 /nfs/dbraw/zinc/53/22/54/554532254.db2.gz ZYXFRYMKWCFJCP-ZQQCWGMFSA-N -1 0 523.408 5.960 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100941292 554532496 /nfs/dbraw/zinc/53/24/96/554532496.db2.gz FBALKSHCDBUSLW-SILRWXEESA-N -1 0 541.398 6.099 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000100958006 554540896 /nfs/dbraw/zinc/54/08/96/554540896.db2.gz XIRMEJYVYXWALG-YSURURNPSA-N -1 0 522.649 7.598 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1[O-] ZINC000100958265 554541161 /nfs/dbraw/zinc/54/11/61/554541161.db2.gz HXUMZFDTFUCAHF-FJEPWZHXSA-N -1 0 562.807 7.866 40 30 KKEBRM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000100961138 554542121 /nfs/dbraw/zinc/54/21/21/554542121.db2.gz GZFZKLARYDVERK-MXAYSNPKSA-N -1 0 561.332 5.321 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OCC ZINC000101014681 554558892 /nfs/dbraw/zinc/55/88/92/554558892.db2.gz SCOGBOUYAQMEQM-ZZIIXHQDSA-N -1 0 577.853 8.621 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000101014612 554558945 /nfs/dbraw/zinc/55/89/45/554558945.db2.gz AFBUAXHEEURGRQ-HAHDFKILSA-N -1 0 515.653 6.244 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000101015018 554559345 /nfs/dbraw/zinc/55/93/45/554559345.db2.gz SQQKSXXTFILEOZ-IYVRQVOYSA-N -1 0 541.735 6.720 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OC ZINC000101015004 554559355 /nfs/dbraw/zinc/55/93/55/554559355.db2.gz KTSKLQDXWASIMP-FKMUBXBXSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000101015020 554559383 /nfs/dbraw/zinc/55/93/83/554559383.db2.gz SQQKSXXTFILEOZ-QWKMGOBESA-N -1 0 541.735 6.720 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000101015023 554559386 /nfs/dbraw/zinc/55/93/86/554559386.db2.gz SQQKSXXTFILEOZ-UOIXBSGFSA-N -1 0 541.735 6.720 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1OCC ZINC000101015208 554559763 /nfs/dbraw/zinc/55/97/63/554559763.db2.gz MCBFUVSVVPZRNA-DYLBGEEPSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1OCC ZINC000101015225 554559779 /nfs/dbraw/zinc/55/97/79/554559779.db2.gz DIZLDFCKWGEAMY-JITJBMDESA-N -1 0 521.745 6.914 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000101037059 554566296 /nfs/dbraw/zinc/56/62/96/554566296.db2.gz PISSPNRIYKEOHN-UHFFFAOYSA-N -1 0 591.763 5.367 40 30 KKEBRM O=C(N=C1SC(=S)N(C(=O)c2ccccc2Cl)C1=C([O-])c1ccc(Br)cc1)c1ccccc1Cl ZINC000101064092 554570944 /nfs/dbraw/zinc/57/09/44/554570944.db2.gz IJMFKGOFXCWYRM-JWYWCWIRSA-N -1 0 592.323 6.720 40 30 KKEBRM O=C(N=C1SC(=S)N(C(=O)c2ccccc2Cl)C1=C([O-])c1ccc(Br)cc1)c1ccccc1Cl ZINC000101064089 554570959 /nfs/dbraw/zinc/57/09/59/554570959.db2.gz IJMFKGOFXCWYRM-WCLIKLPVSA-N -1 0 592.323 6.720 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)CN6C(=O)CSC6=S)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000101262804 554697668 /nfs/dbraw/zinc/69/76/68/554697668.db2.gz QFDNGNBSMJPXHH-TXQJIXBUSA-N -1 0 642.928 7.632 40 30 KKEBRM Cc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2C2CCCCC2)cc1C ZINC000101645979 554815582 /nfs/dbraw/zinc/81/55/82/554815582.db2.gz GRCUFARDFAEKJS-LGUMZPBXSA-N -1 0 535.065 7.852 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc(/N=C/c2cccc(Br)c2)ccc1N1CCCC1 ZINC000102957767 555174413 /nfs/dbraw/zinc/17/44/13/555174413.db2.gz OKKMEUUZIJPCFQ-YZSQISJMSA-N -1 0 514.445 5.609 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000102970947 555181457 /nfs/dbraw/zinc/18/14/57/555181457.db2.gz WSZUURGTUXHHHX-OGLMXYFKSA-N -1 0 533.610 5.566 40 30 KKEBRM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000102980341 555187458 /nfs/dbraw/zinc/18/74/58/555187458.db2.gz LAYKMUZUKZVTEA-MUFRIFMGSA-N -1 0 552.056 6.519 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000102983290 555189219 /nfs/dbraw/zinc/18/92/19/555189219.db2.gz QCIOHTDTAPSQPN-RDRPBHBLSA-N -1 0 541.589 5.999 40 30 KKEBRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1N=NCc1ccc(OC(F)F)cc1OC(F)F ZINC000102983562 555189498 /nfs/dbraw/zinc/18/94/98/555189498.db2.gz NWAGEQWSNSELKJ-LUOAPIJWSA-N -1 0 562.885 5.698 40 30 KKEBRM CCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc([O-])cc2oc2cc(=O)ccc1-2 ZINC000103650860 555461024 /nfs/dbraw/zinc/46/10/24/555461024.db2.gz VGAMOSIAHLQGAX-UHFFFAOYSA-N -1 0 500.635 8.348 40 30 KKEBRM Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)c(C)c1 ZINC000103746651 555467062 /nfs/dbraw/zinc/46/70/62/555467062.db2.gz GTOHVHVZKQTDAQ-IPBVOBEMSA-N -1 0 530.502 7.715 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)c([O-])c(Br)c3)cc2s1)NC[C@H]1CCCO1 ZINC000103754762 555469139 /nfs/dbraw/zinc/46/91/39/555469139.db2.gz LOLQMMCPZRPOFQ-UUCQMEITSA-N -1 0 585.343 5.665 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)NC[C@@H]1CCCO1 ZINC000103754746 555469144 /nfs/dbraw/zinc/46/91/44/555469144.db2.gz DIIKRUAYPVACHH-ANYUSWCHSA-N -1 0 585.343 5.665 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)c([O-])c(Br)c3)cc2s1)NC[C@@H]1CCCO1 ZINC000103754759 555469150 /nfs/dbraw/zinc/46/91/50/555469150.db2.gz LOLQMMCPZRPOFQ-GNIOVPSRSA-N -1 0 585.343 5.665 40 30 KKEBRM N#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000103843501 571362819 /nfs/dbraw/zinc/36/28/19/571362819.db2.gz IRJDPDALANTFAB-FSJBWODESA-N -1 0 607.448 5.328 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000103843628 571362841 /nfs/dbraw/zinc/36/28/41/571362841.db2.gz SCVZMVFEGXOSSV-YZSQISJMSA-N -1 0 588.632 5.996 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103844855 571362963 /nfs/dbraw/zinc/36/29/63/571362963.db2.gz ZBJSFTNOOLUOKO-SRZZPIQSSA-N -1 0 579.378 5.291 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000103845028 571363085 /nfs/dbraw/zinc/36/30/85/571363085.db2.gz RFEXLCYSYGGWBJ-XODNFHPESA-N -1 0 578.738 6.778 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000103850580 571364629 /nfs/dbraw/zinc/36/46/29/571364629.db2.gz ZXNHCKOLLWQHQO-HZHRSRAPSA-N -1 0 535.369 5.562 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000103850801 571364778 /nfs/dbraw/zinc/36/47/78/571364778.db2.gz JYLJDPMAHFADHT-MTDXEUNCSA-N -1 0 550.586 6.352 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000103851679 571364974 /nfs/dbraw/zinc/36/49/74/571364974.db2.gz LWLZBPIEUBEXRA-RQZCQDPDSA-N -1 0 570.827 5.524 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103852914 571365597 /nfs/dbraw/zinc/36/55/97/571365597.db2.gz KIQWDJFQZOTETR-KGENOOAVSA-N -1 0 565.464 6.035 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1F ZINC000103852899 571365633 /nfs/dbraw/zinc/36/56/33/571365633.db2.gz ZSUMZUZWJUBCTO-CPNJWEJPSA-N -1 0 569.427 5.866 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000103853052 571365746 /nfs/dbraw/zinc/36/57/46/571365746.db2.gz XJAWTQJCBKVUIQ-RCCKNPSSSA-N -1 0 551.039 6.017 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000103853131 571365807 /nfs/dbraw/zinc/36/58/07/571365807.db2.gz YJDADNXJTIDTBG-FYJGNVAPSA-N -1 0 560.603 5.092 40 30 KKEBRM C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4C(=O)C=C5[C@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@H]1O ZINC000104036808 571371609 /nfs/dbraw/zinc/37/16/09/571371609.db2.gz FMRFCBBDHDGKKZ-OKJKDAFNSA-N -1 0 600.837 6.294 40 30 KKEBRM O=[N+]([O-])C(N=Nc1ccc2ccccc2c1Br)=N[N-]c1ccc2ccccc2c1Br ZINC000104111229 571374112 /nfs/dbraw/zinc/37/41/12/571374112.db2.gz GJLRXYHFORZDMP-LFBNEXSTSA-N -1 0 527.176 7.262 40 30 KKEBRM CCCCCCCCCCCCC/C=C\C[C@H](CC(=O)[O-])C(=O)Nc1cccc(-c2cc(=O)n(-c3ccccc3)n2C)c1 ZINC000104140626 571374706 /nfs/dbraw/zinc/37/47/06/571374706.db2.gz PVWYJWDOQBNIPB-WOTYECORSA-N -1 0 587.805 8.520 40 30 KKEBRM CC(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(N=Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000104251126 571377922 /nfs/dbraw/zinc/37/79/22/571377922.db2.gz WQDALKISFBUVFX-HUGWIHAQSA-N -1 0 570.731 8.067 40 30 KKEBRM CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1O ZINC000109502957 571429301 /nfs/dbraw/zinc/42/93/01/571429301.db2.gz BXKWLRZTVIEMDO-OPEKNORGSA-N -1 0 532.188 6.580 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000110717707 571431734 /nfs/dbraw/zinc/43/17/34/571431734.db2.gz SBGLHCJLROIVOA-FHNQJCGUSA-N -1 0 601.906 7.012 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000110726516 571431774 /nfs/dbraw/zinc/43/17/74/571431774.db2.gz IABHMPKXGPKUAM-WDHOPVFISA-N -1 0 581.488 6.667 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110725792 571431781 /nfs/dbraw/zinc/43/17/81/571431781.db2.gz DLVDFVURYQRKCY-WOAKAZFHSA-N -1 0 601.906 7.012 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110718121 571431783 /nfs/dbraw/zinc/43/17/83/571431783.db2.gz PDIMZVYGHVIGPZ-SYCUJBBPSA-N -1 0 567.461 6.359 40 30 KKEBRM CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110729571 571431875 /nfs/dbraw/zinc/43/18/75/571431875.db2.gz JSKJMVRGKZIFRG-BYRLOFTLSA-N -1 0 550.467 7.319 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(I)c1OC ZINC000110728210 571431884 /nfs/dbraw/zinc/43/18/84/571431884.db2.gz WYYMTQQURLXVRM-PUCVJYRNSA-N -1 0 552.390 5.021 40 30 KKEBRM CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000110727979 571431900 /nfs/dbraw/zinc/43/19/00/571431900.db2.gz CESUPRNFRLGPJO-BYRLOFTLSA-N -1 0 550.467 7.319 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000118918530 571444834 /nfs/dbraw/zinc/44/48/34/571444834.db2.gz MISRCEKKHJVMIX-WDVWKEEWSA-N -1 0 574.718 5.504 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccc(O)cc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919057 571445498 /nfs/dbraw/zinc/44/54/98/571445498.db2.gz UOROQCUKQLETSA-HUHXDHDLSA-N -1 0 577.722 5.072 40 30 KKEBRM C[C@H](SC(=Nc1ccccc1)N(C)Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC000137019037 571449979 /nfs/dbraw/zinc/44/99/79/571449979.db2.gz PVYKKQTYKRSNKG-INIZCTEOSA-O -1 0 563.335 6.532 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000150350265 571461702 /nfs/dbraw/zinc/46/17/02/571461702.db2.gz HQKAOXWEUMTTGN-FACUTFBBSA-N -1 0 633.553 8.474 40 30 KKEBRM O=C([N-]CCC1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150370389 571465712 /nfs/dbraw/zinc/46/57/12/571465712.db2.gz JXWWICIUZUDFEY-UHFFFAOYSA-N -1 0 820.303 8.209 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000150382302 571467244 /nfs/dbraw/zinc/46/72/44/571467244.db2.gz WMCDBVYMHDMDSJ-BELQJWEKSA-N -1 0 622.324 7.276 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150382600 571467263 /nfs/dbraw/zinc/46/72/63/571467263.db2.gz BOEBIKBYIMZCSL-GXMXPRDMSA-N -1 0 632.330 6.731 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)c([O-])c(Br)c3)cc2s1)Nc1ccccc1C(F)(F)F ZINC000150383255 571467677 /nfs/dbraw/zinc/46/76/77/571467677.db2.gz IKDTYZNIYKPOKZ-VYVUJPJFSA-N -1 0 645.320 8.027 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 ZINC000150383652 571467917 /nfs/dbraw/zinc/46/79/17/571467917.db2.gz DBAMYMXQWZZTEA-JQAMDZJQSA-N -1 0 697.188 8.561 40 30 KKEBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 ZINC000150398236 571477127 /nfs/dbraw/zinc/47/71/27/571477127.db2.gz CHNIVZIQMDZPGD-OFSJXLMGSA-N -1 0 652.295 6.274 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150631312 571523977 /nfs/dbraw/zinc/52/39/77/571523977.db2.gz DLYOIVRBPXFIHF-JYEAFRFESA-N -1 0 697.378 7.898 40 30 KKEBRM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150646613 571525019 /nfs/dbraw/zinc/52/50/19/571525019.db2.gz FUBXRVMGHIJQFM-HKBQPEDESA-N -1 0 685.799 8.102 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000150670079 571528750 /nfs/dbraw/zinc/52/87/50/571528750.db2.gz HQKAOXWEUMTTGN-CIRBIFNISA-N -1 0 633.553 8.474 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000164443286 571547713 /nfs/dbraw/zinc/54/77/13/571547713.db2.gz AGWQQAKBFGGDKF-BUVRLJJBSA-N -1 0 640.328 6.584 40 30 KKEBRM CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4cc(Br)c([O-])c(Br)c4)cc3s2)cc1 ZINC000164467002 571548707 /nfs/dbraw/zinc/54/87/07/571548707.db2.gz GYLVZDBQSAJKFA-HPNXWYHWSA-N -1 0 702.622 12.033 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)c([O-])c(I)c3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000164705521 571550519 /nfs/dbraw/zinc/55/05/19/571550519.db2.gz MWBXNDNGCMVCLJ-KIBLKLHPSA-N -1 0 716.320 6.601 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)c([O-])c(I)c3)cc2s1)NC[C@H]1CCCO1 ZINC000164707451 571550674 /nfs/dbraw/zinc/55/06/74/571550674.db2.gz SNWFOMFWHOYNLY-UUCQMEITSA-N -1 0 679.343 5.349 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)c([O-])c(I)c3)cc2s1)NC[C@@H]1CCCO1 ZINC000164707323 571550695 /nfs/dbraw/zinc/55/06/95/571550695.db2.gz SNWFOMFWHOYNLY-GNIOVPSRSA-N -1 0 679.343 5.349 40 30 KKEBRM Cc1cc(Nc2ccc(C(c3ccc(Nc4ccc(S(=O)(=O)[O-])cc4)cc3)=C3C=CC(=[NH+]c4ccccc4)C=C3)cc2)ccc1N ZINC000263583782 572114761 /nfs/dbraw/zinc/11/47/61/572114761.db2.gz AFYYDZRHNARJCM-UHFFFAOYSA-N -1 0 624.766 9.012 40 30 KKEBRM CCCCCON=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603843 572129420 /nfs/dbraw/zinc/12/94/20/572129420.db2.gz NZLFPVCWUJGSPW-IFAIQKJKSA-N -1 0 810.938 6.295 40 30 KKEBRM C=C(CC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000299817403 572138778 /nfs/dbraw/zinc/13/87/78/572138778.db2.gz AYHCPTDPDUADTK-DOQOFRCWSA-N -1 0 510.759 8.137 40 30 biogenic,in-vitro KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408526897 572158902 /nfs/dbraw/zinc/15/89/02/572158902.db2.gz ACHKQSDHEAMKFC-TZUFQDQBSA-N -1 0 564.663 7.398 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408531231 572174949 /nfs/dbraw/zinc/17/49/49/572174949.db2.gz OXJIMTUDZNDLKK-OPUGFCLASA-N -1 0 577.873 7.318 40 30 KKEBRM CCOc1ccc(C(=O)[O-])cc1/C=C1\S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000408531938 572178023 /nfs/dbraw/zinc/17/80/23/572178023.db2.gz MWHQGFASXAJBAX-OUGGDVFGSA-N -1 0 513.402 6.899 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408532316 572179253 /nfs/dbraw/zinc/17/92/53/572179253.db2.gz UDQDUCIEJMGYBM-XKZIYDEJSA-N -1 0 587.879 6.670 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408533197 572182683 /nfs/dbraw/zinc/18/26/83/572182683.db2.gz XPOVJVFQKJRMQY-LGMNDEOKSA-N -1 0 657.167 7.790 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408533460 572183638 /nfs/dbraw/zinc/18/36/38/572183638.db2.gz YTCDTZGAGBBXMQ-DMBRDCDQSA-N -1 0 619.526 8.478 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408533617 572184153 /nfs/dbraw/zinc/18/41/53/572184153.db2.gz ZMJXVFVADYFYDL-MTJSOVHGSA-N -1 0 529.401 6.171 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408534319 572185789 /nfs/dbraw/zinc/18/57/89/572185789.db2.gz VCMFXJVGMJCPNK-XKZIYDEJSA-N -1 0 553.434 5.935 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408534686 572186644 /nfs/dbraw/zinc/18/66/44/572186644.db2.gz WBAPCLIJEWHCNY-XKZIYDEJSA-N -1 0 600.434 5.777 40 30 KKEBRM C#CCNC(=O)CCCCC[N+]1=C(C=CC=CC=C2N(CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21 ZINC000238730584 572187882 /nfs/dbraw/zinc/18/78/82/572187882.db2.gz SDCASIAEYVOHMO-UHFFFAOYSA-O -1 0 694.896 5.680 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408535124 572187958 /nfs/dbraw/zinc/18/79/58/572187958.db2.gz XZUPRZGTYWQBEP-UCQKPKSFSA-N -1 0 523.010 6.216 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408535414 572188629 /nfs/dbraw/zinc/18/86/29/572188629.db2.gz YRSSOEVLSFWTKI-HXOXSGNQSA-N -1 0 603.527 8.696 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000408537634 572195797 /nfs/dbraw/zinc/19/57/97/572195797.db2.gz GMOBMWHLGSSDDU-CJLVFECKSA-N -1 0 573.484 6.262 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000408537759 572196121 /nfs/dbraw/zinc/19/61/21/572196121.db2.gz HGVJMUQELOCMAN-STZFKDTASA-N -1 0 517.453 7.016 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408537920 572196405 /nfs/dbraw/zinc/19/64/05/572196405.db2.gz IBEYHPWGKCSGLZ-STZFKDTASA-N -1 0 588.455 6.162 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538118 572196881 /nfs/dbraw/zinc/19/68/81/572196881.db2.gz JGXCMBZGACBYIV-PDGQHHTCSA-N -1 0 553.870 7.061 40 30 KKEBRM O=C([O-])C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl ZINC000245204359 572201989 /nfs/dbraw/zinc/20/19/89/572201989.db2.gz ADMOCDJEQJUWJY-KVTDHHQDSA-N -1 0 596.353 7.062 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408539658 572202811 /nfs/dbraw/zinc/20/28/11/572202811.db2.gz XWNVBYCRTJPTKH-UYRXBGFRSA-N -1 0 523.844 7.053 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408539980 572204237 /nfs/dbraw/zinc/20/42/37/572204237.db2.gz LHLHGQKVYIXWPG-HKWRFOASSA-N -1 0 591.930 7.215 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408540124 572204605 /nfs/dbraw/zinc/20/46/05/572204605.db2.gz NJNSSQDKYCWXDR-KGENOOAVSA-N -1 0 591.930 7.215 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)c3ccccc32)o1 ZINC000408543300 572212166 /nfs/dbraw/zinc/21/21/66/572212166.db2.gz OSIRBOXCGRMRHX-LEGKVYBRSA-N -1 0 519.582 6.789 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1Br ZINC000408632666 572289192 /nfs/dbraw/zinc/28/91/92/572289192.db2.gz GPUQYORTKCGASB-YBEGLDIGSA-N -1 0 511.191 6.135 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631354 572287453 /nfs/dbraw/zinc/28/74/53/572287453.db2.gz DKTOQMQOFDHSCS-OYKKKHCWSA-N -1 0 595.906 7.049 40 30 KKEBRM CCOc1cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408631385 572287458 /nfs/dbraw/zinc/28/74/58/572287458.db2.gz IHEDYYKGSYRJOH-MXAYSNPKSA-N -1 0 563.035 6.201 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccccc2C#N)C(=O)[O-])o1 ZINC000408632462 572288836 /nfs/dbraw/zinc/28/88/36/572288836.db2.gz JAYNSRCFKLCPLZ-KSEXSDGBSA-N -1 0 598.862 6.830 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1OC ZINC000408632569 572288952 /nfs/dbraw/zinc/28/89/52/572288952.db2.gz JQUZPTGMIOGWGQ-UYRXBGFRSA-N -1 0 550.862 6.172 40 30 KKEBRM COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(I)c1OCc1ccccc1C#N ZINC000408632929 572289539 /nfs/dbraw/zinc/28/95/39/572289539.db2.gz HRCIAUQGWLYTRL-UUYOSTAYSA-N -1 0 583.407 5.845 40 30 KKEBRM C=CCOc1c(/C=C(/Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc([N+](=O)[O-])cc1OC ZINC000408633026 572289733 /nfs/dbraw/zinc/28/97/33/572289733.db2.gz LCILGODAIBLEPH-GIJQJNRQSA-N -1 0 519.919 5.098 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)[O-])o1 ZINC000408634482 572291510 /nfs/dbraw/zinc/29/15/10/572291510.db2.gz VDLHNHOKFNMYDP-KSEXSDGBSA-N -1 0 598.862 6.830 40 30 KKEBRM N#Cc1ccccc1COc1ccc(Br)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000408634569 572291600 /nfs/dbraw/zinc/29/16/00/572291600.db2.gz RTVKEVSYPQXMQE-UUYOSTAYSA-N -1 0 568.836 6.821 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OCc4ccc(C#N)cc4)c(Br)c3)C(=O)[O-])n[nH]2)c1 ZINC000408634878 572291938 /nfs/dbraw/zinc/29/19/38/572291938.db2.gz XOCZWWRHOYHXHZ-VROXFSQNSA-N -1 0 593.459 5.920 40 30 KKEBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)C(=O)[O-])o2)c1 ZINC000408635076 572292211 /nfs/dbraw/zinc/29/22/11/572292211.db2.gz YOHMLEOGAKFOGV-MYKKPKGFSA-N -1 0 515.547 5.422 40 30 KKEBRM COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000254556615 572302989 /nfs/dbraw/zinc/30/29/89/572302989.db2.gz VXXIKDZMTDKJLQ-KSVGNYRWSA-N -1 0 518.591 5.223 40 30 KKEBRM CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000255998442 572304824 /nfs/dbraw/zinc/30/48/24/572304824.db2.gz RACSQPAUTPPMLG-UHFFFAOYSA-N -1 0 571.699 6.473 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC ZINC000106897429 1069715425 /nfs/dbraw/zinc/71/54/25/1069715425.db2.gz BPIWNGBMNKYYOG-UPHPNCSHSA-N -1 0 507.718 6.669 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Br)c3[O-])S2)cc(C)c1Br ZINC000408756527 1069737767 /nfs/dbraw/zinc/73/77/67/1069737767.db2.gz SPIQFNXNKIYCAQ-NSIKDUERSA-N -1 0 561.093 6.188 40 30 KKEBRM C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N\c1ccccc1 ZINC000408909446 1069753630 /nfs/dbraw/zinc/75/36/30/1069753630.db2.gz HNFSYRPCNGVMQO-AVEIETHQSA-N -1 0 529.017 7.663 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933242 1069757558 /nfs/dbraw/zinc/75/75/58/1069757558.db2.gz IRUILLNMCVWSLJ-BISDZQDMSA-N -1 0 612.664 6.522 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408932982 1069757612 /nfs/dbraw/zinc/75/76/12/1069757612.db2.gz GHBFXQVKYMDDHI-CLZFLNTISA-N -1 0 689.617 8.821 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(C)n(Cc3cccc(C)c3)c3ccccc23)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409059229 1069770202 /nfs/dbraw/zinc/77/02/02/1069770202.db2.gz VPAZQDRYZHAPPY-IKFAVLQYSA-N -1 0 509.631 6.629 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409090084 1069774384 /nfs/dbraw/zinc/77/43/84/1069774384.db2.gz OPTDPWIKYVWJAP-YSUVVKCZSA-N -1 0 596.749 8.188 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(Br)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409090357 1069775103 /nfs/dbraw/zinc/77/51/03/1069775103.db2.gz MNLUMQRKZBQBRC-BNWUJJENSA-N -1 0 580.375 8.677 40 30 KKEBRM CC(C)(C)OC(=O)c1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])c(N)s1 ZINC000604940605 1069782224 /nfs/dbraw/zinc/78/22/24/1069782224.db2.gz WWYUSBOTPSESOY-UHFFFAOYSA-N -1 0 529.618 5.478 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408768652 1069873908 /nfs/dbraw/zinc/87/39/08/1069873908.db2.gz ZPBICKJOACKPME-RIYZIHGNSA-N -1 0 620.749 5.593 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408772221 1069883131 /nfs/dbraw/zinc/88/31/31/1069883131.db2.gz CTAPSZSGVQFKOW-YDZHTSKRSA-N -1 0 565.453 6.593 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)c(Cl)c4)NC3=O)cc2I)cc1 ZINC000408772600 1069884932 /nfs/dbraw/zinc/88/49/32/1069884932.db2.gz DIAIOWVNRQIRAG-FBHDLOMBSA-N -1 0 625.271 6.767 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408778997 1069899441 /nfs/dbraw/zinc/89/94/41/1069899441.db2.gz OOIZHBPRWFIUBU-BUVRLJJBSA-N -1 0 608.432 5.582 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408781736 1069916140 /nfs/dbraw/zinc/91/61/40/1069916140.db2.gz DJFKVFITWFEMRE-BUVRLJJBSA-N -1 0 516.981 5.631 40 30 KKEBRM O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cc(Br)c([O-])c(I)c1 ZINC000408789264 1069917594 /nfs/dbraw/zinc/91/75/94/1069917594.db2.gz ICJOYQSELNIMOQ-SDQBBNPISA-N -1 0 570.033 5.958 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408787156 1069923790 /nfs/dbraw/zinc/92/37/90/1069923790.db2.gz SNZJDMLKUQYOJR-ZVHZXABRSA-N -1 0 671.329 6.644 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408795812 1069928005 /nfs/dbraw/zinc/92/80/05/1069928005.db2.gz NFEINRFVOWSTPD-DIENZIEHSA-N -1 0 636.749 7.376 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408796212 1069928565 /nfs/dbraw/zinc/92/85/65/1069928565.db2.gz XKOYFIDGRNKEOV-LBRJIFLTSA-N -1 0 617.521 7.512 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796151 1069928736 /nfs/dbraw/zinc/92/87/36/1069928736.db2.gz OHXJFKAFAGMCFM-OQTNSEPCSA-N -1 0 639.298 7.109 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S2)ccc1Cl ZINC000408816980 1069973244 /nfs/dbraw/zinc/97/32/44/1069973244.db2.gz MNMANDJMVLZWDF-QFEZKATASA-N -1 0 549.435 7.315 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S2)ccc1Cl ZINC000408818089 1069976239 /nfs/dbraw/zinc/97/62/39/1069976239.db2.gz MXURFLLJNADQIZ-KSEXSDGBSA-N -1 0 522.413 6.586 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408813987 1069979223 /nfs/dbraw/zinc/97/92/23/1069979223.db2.gz GJZHKONSLWUWMJ-JLPGSUDCSA-N -1 0 501.560 5.942 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000408824329 1069987491 /nfs/dbraw/zinc/98/74/91/1069987491.db2.gz HYUZWDQNUQLMHV-WSDLNYQXSA-N -1 0 644.305 6.412 40 30 KKEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408821058 1069996048 /nfs/dbraw/zinc/99/60/48/1069996048.db2.gz BXKZXMPCLMVDAV-TURZUDJPSA-N -1 0 518.569 5.958 40 30 KKEBRM C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408821766 1069999024 /nfs/dbraw/zinc/99/90/24/1069999024.db2.gz KDZDIPLHUGWUCE-HYARGMPZSA-N -1 0 521.356 5.251 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408825931 1070001767 /nfs/dbraw/zinc/00/17/67/1070001767.db2.gz SCEZHNLAXBNMBN-VSXUNDGWSA-N -1 0 660.170 7.457 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408826025 1070002237 /nfs/dbraw/zinc/00/22/37/1070002237.db2.gz SKKBJIJUUJSUKO-FYJGNVAPSA-N -1 0 642.833 5.211 40 30 KKEBRM C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408824496 1070009535 /nfs/dbraw/zinc/00/95/35/1070009535.db2.gz HVOMDGNPTHZURT-VPPMLDDVSA-N -1 0 593.683 6.243 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(I)c1OCC(=O)[O-] ZINC000408829245 1070015475 /nfs/dbraw/zinc/01/54/75/1070015475.db2.gz OUOZLIXUOWBAQN-WKIKZPBSSA-N -1 0 596.487 5.517 40 30 KKEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408836611 1070027746 /nfs/dbraw/zinc/02/77/46/1070027746.db2.gz SYCMHSCCYDQDHK-VFATYNKOSA-N -1 0 645.759 7.949 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408850372 1070064024 /nfs/dbraw/zinc/06/40/24/1070064024.db2.gz MIYRXFAJQPFEAE-XSFVSMFZSA-N -1 0 601.939 7.184 40 30 KKEBRM O=C(Nc1ccccc1)c1c(/N=C\c2cc(Br)c([O-])c(Br)c2)sc2c1CCCC2 ZINC000408851431 1070066233 /nfs/dbraw/zinc/06/62/33/1070066233.db2.gz JZLJDXMFTMTOQS-ROTLSHHCSA-N -1 0 534.273 6.860 40 30 KKEBRM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)S/C1=N\c1ccccc1 ZINC000408863321 1070079542 /nfs/dbraw/zinc/07/95/42/1070079542.db2.gz NBPNKFQDJZOSNN-BVSFMENXSA-N -1 0 529.456 6.095 40 30 KKEBRM CCOC(=O)COc1ccc(Br)cc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000408917031 1070206675 /nfs/dbraw/zinc/20/66/75/1070206675.db2.gz LBJUHSIDCGIDLJ-CCWWSCKISA-N -1 0 595.471 5.893 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408917365 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C=CCc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409100897 1070533592 /nfs/dbraw/zinc/53/35/92/1070533592.db2.gz XEQLPZZMGYXAEX-WGOQTCKBSA-N -1 0 545.682 6.805 40 30 KKEBRM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(Br)c([O-])c(I)c1 ZINC000409099147 1070531993 /nfs/dbraw/zinc/53/19/93/1070531993.db2.gz SGVWLDXUOJVVDE-CGOBSMCZSA-N -1 0 530.038 5.132 40 30 KKEBRM O=C([O-])c1cc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)ccc1O ZINC000409186574 1070606948 /nfs/dbraw/zinc/60/69/48/1070606948.db2.gz DYNAFBCBMIBBOD-MYKKPKGFSA-N -1 0 505.162 5.945 40 30 KKEBRM Cc1cc(/C=C2\SC(=NC3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409214287 1070638026 /nfs/dbraw/zinc/63/80/26/1070638026.db2.gz SEJQLDPBKHJBBN-WHQHWOLESA-N -1 0 505.684 6.730 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C ZINC000409212014 1070635972 /nfs/dbraw/zinc/63/59/72/1070635972.db2.gz POPCHBGMQQJPGJ-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409236726 1070652612 /nfs/dbraw/zinc/65/26/12/1070652612.db2.gz GXHVQLSKJIHGIR-MRYWEKRUSA-N -1 0 536.678 7.649 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409230804 1070656810 /nfs/dbraw/zinc/65/68/10/1070656810.db2.gz GTJBUXXOKKDGLH-WSDLNYQXSA-N -1 0 587.879 6.588 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(I)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409235475 1070661355 /nfs/dbraw/zinc/66/13/55/1070661355.db2.gz QJIDGCAOLZABQQ-ODJLBJFPSA-N -1 0 559.223 5.392 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277407 1070702315 /nfs/dbraw/zinc/70/23/15/1070702315.db2.gz AYARCZRZWPLICO-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409278444 1070724903 /nfs/dbraw/zinc/72/49/03/1070724903.db2.gz FKGYHMARPMAVHF-UHFFFAOYSA-N -1 0 565.424 6.153 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Br)c1OCC(=O)[O-] ZINC000409279158 1070726426 /nfs/dbraw/zinc/72/64/26/1070726426.db2.gz GWACPJCMPGKVRX-UHFFFAOYSA-N -1 0 608.489 6.011 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409279387 1070727649 /nfs/dbraw/zinc/72/76/49/1070727649.db2.gz HGVZVKRZHRLZQP-UHFFFAOYSA-N -1 0 796.266 8.655 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409284596 1070740121 /nfs/dbraw/zinc/74/01/21/1070740121.db2.gz VARVXKKWYPCTOW-LJQANCHMSA-N -1 0 669.516 6.241 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409282930 1070735446 /nfs/dbraw/zinc/73/54/46/1070735446.db2.gz POGUUJQOYAHAQE-UHFFFAOYSA-N -1 0 564.436 5.625 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409283482 1070736930 /nfs/dbraw/zinc/73/69/30/1070736930.db2.gz QQWOKAPJAJBAPK-UHFFFAOYSA-N -1 0 575.665 7.053 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409283797 1070738015 /nfs/dbraw/zinc/73/80/15/1070738015.db2.gz QCJAOYXYWHDBCQ-UHFFFAOYSA-N -1 0 603.553 6.259 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409284297 1070739592 /nfs/dbraw/zinc/73/95/92/1070739592.db2.gz TXVPSDRQJXZWPO-UHFFFAOYSA-N -1 0 617.239 6.233 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409292699 1070746190 /nfs/dbraw/zinc/74/61/90/1070746190.db2.gz FSQGFAGUKUDRHN-GOSISDBHSA-N -1 0 616.468 6.434 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409293884 1070748695 /nfs/dbraw/zinc/74/86/95/1070748695.db2.gz JTNCBCCIFCAPDO-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409287008 1070753929 /nfs/dbraw/zinc/75/39/29/1070753929.db2.gz XWCBTZZLDNBONQ-UHFFFAOYSA-N -1 0 751.815 8.546 40 30 KKEBRM O=C([O-])COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1I ZINC000409287624 1070755641 /nfs/dbraw/zinc/75/56/41/1070755641.db2.gz XIRRZKCMBDYYGE-UHFFFAOYSA-N -1 0 770.115 6.127 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC000409288788 1070758698 /nfs/dbraw/zinc/75/86/98/1070758698.db2.gz BXZOFSCIVQFNRP-LLVKDONJSA-N -1 0 585.680 5.607 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409298171 1070770842 /nfs/dbraw/zinc/77/08/42/1070770842.db2.gz NRHMFCXJPYZAOA-GOSISDBHSA-N -1 0 578.463 6.001 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000409302856 1070781821 /nfs/dbraw/zinc/78/18/21/1070781821.db2.gz LDDGMOYLAUPSKC-OLZOCXBDSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409309946 1070790773 /nfs/dbraw/zinc/79/07/73/1070790773.db2.gz OIWMDSXFMIAOIP-NWDGAFQWSA-N -1 0 585.680 5.823 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409307630 1070785996 /nfs/dbraw/zinc/78/59/96/1070785996.db2.gz TZHSHOULXHPHSG-GOSISDBHSA-N -1 0 551.441 5.424 40 30 KKEBRM C[C@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409306226 1070802751 /nfs/dbraw/zinc/80/27/51/1070802751.db2.gz PNXWXGSQBWQQPV-AWEZNQCLSA-N -1 0 566.795 5.960 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409306940 1070804773 /nfs/dbraw/zinc/80/47/73/1070804773.db2.gz QLQRDBBNCMZUNO-ZDUSSCGKSA-N -1 0 656.243 5.977 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409323232 1070812736 /nfs/dbraw/zinc/81/27/36/1070812736.db2.gz ZTZRXBLHBSBOEB-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409323138 1070813048 /nfs/dbraw/zinc/81/30/48/1070813048.db2.gz NTTAGCNKNKQQQN-HNNXBMFYSA-N -1 0 692.202 7.357 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409324313 1070814714 /nfs/dbraw/zinc/81/47/14/1070814714.db2.gz SFDJUXSSERPQIT-UHFFFAOYSA-N -1 0 544.041 5.224 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409326063 1070843739 /nfs/dbraw/zinc/84/37/39/1070843739.db2.gz GGDNGRAJVFYVCS-UHFFFAOYSA-N -1 0 638.946 7.418 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=N)s1 ZINC000409335644 1070855792 /nfs/dbraw/zinc/85/57/92/1070855792.db2.gz LBVIYSQVUYAEJQ-NNOQLCTMSA-N -1 0 503.609 5.738 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(I)c1OCc1ccc(Br)cc1 ZINC000409337679 1070859149 /nfs/dbraw/zinc/85/91/49/1070859149.db2.gz XULYXJHAROFOHQ-ZHICUMMLSA-N -1 0 627.323 6.516 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(Br)c(OC)c(Br)c3)SC2=N)s1 ZINC000409337712 1070859598 /nfs/dbraw/zinc/85/95/98/1070859598.db2.gz YVJWOMJQYUAVJW-MQJKYCSLSA-N -1 0 503.241 5.052 40 30 KKEBRM C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccccc1 ZINC000408906079 1070896933 /nfs/dbraw/zinc/89/69/33/1070896933.db2.gz HEWRRNUKLQPVNQ-AWTDNBMVSA-N -1 0 652.295 6.967 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408906095 1070897031 /nfs/dbraw/zinc/89/70/31/1070897031.db2.gz HJFKASPXWXNHTM-CCBCPFMQSA-N -1 0 533.444 5.552 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccccc1 ZINC000408906173 1070897431 /nfs/dbraw/zinc/89/74/31/1070897431.db2.gz IAHSLZYFPNINOF-NZQUJZJYSA-N -1 0 590.224 5.615 40 30 KKEBRM O=C1/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408905674 1070898757 /nfs/dbraw/zinc/89/87/57/1070898757.db2.gz CGFRMYFQPACNSS-KLUIENCOSA-N -1 0 558.295 6.764 40 30 KKEBRM COc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc(I)c1OCC(=O)[O-] ZINC000408903964 1070901540 /nfs/dbraw/zinc/90/15/40/1070901540.db2.gz BUAFFHUTPTUJGT-WYMPLXKRSA-N -1 0 564.357 5.573 40 30 KKEBRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000409385784 1070907836 /nfs/dbraw/zinc/90/78/36/1070907836.db2.gz KGWOCTIZUVLWDD-VQTJNVASSA-N -1 0 587.400 5.338 40 30 KKEBRM C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(C)C)O[C@@H]1c1cc(OCc2ccccc2)ccc1OCC(=O)[O-] ZINC000585264405 1070993678 /nfs/dbraw/zinc/99/36/78/1070993678.db2.gz ACQSJJMMOXFVEB-ZYMFSFAHSA-N -1 0 535.080 7.845 40 30 KKEBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408917074 1070994800 /nfs/dbraw/zinc/99/48/00/1070994800.db2.gz MADKCRGVEYNCIJ-GNHZAAKYSA-N -1 0 551.064 7.028 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)O[C@@H]1c1cc(OC)ccc1OCC(=O)[O-] ZINC000585266283 1070995588 /nfs/dbraw/zinc/99/55/88/1070995588.db2.gz GAFMNZMYMLYGGD-QAQXJPMASA-N -1 0 523.025 6.999 40 30 KKEBRM Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)o2)cc1 ZINC000408916896 1070996164 /nfs/dbraw/zinc/99/61/64/1070996164.db2.gz ICPBAIXXDCYDPU-VQQYLBFOSA-N -1 0 526.639 7.242 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2ccc(OC)cc2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585266610 1071001093 /nfs/dbraw/zinc/00/10/93/1071001093.db2.gz FKSMNNAUNJKSBQ-DLQYFKQDSA-N -1 0 523.025 6.999 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408919306 1071122935 /nfs/dbraw/zinc/12/29/35/1071122935.db2.gz WFEHTNHXGJCLNA-NHDPSOOVSA-N -1 0 627.435 5.111 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408919398 1071120062 /nfs/dbraw/zinc/12/00/62/1071120062.db2.gz XIHLGVXMTSKGMF-GKCCGSIKSA-N -1 0 635.141 8.583 40 30 KKEBRM COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000408918601 1071130055 /nfs/dbraw/zinc/13/00/55/1071130055.db2.gz MLCFRBVARYNAPF-HNQGNDFSSA-N -1 0 519.535 5.114 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408917810 1071143091 /nfs/dbraw/zinc/14/30/91/1071143091.db2.gz BLZQJQVWYCYQAN-KMVPMIRPSA-N -1 0 712.449 9.236 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408917650 1071145277 /nfs/dbraw/zinc/14/52/77/1071145277.db2.gz ZFYSOEGLWPLOHH-WNXTVMGOSA-N -1 0 610.091 7.302 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S/C2=N/c2ccccc2)cc1 ZINC000408917871 1071140386 /nfs/dbraw/zinc/14/03/86/1071140386.db2.gz CEHPGXUTCXISEL-UNAWRRCPSA-N -1 0 559.987 7.011 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408917485 1071146448 /nfs/dbraw/zinc/14/64/48/1071146448.db2.gz VKARGLSVWVWECX-LEGKVYBRSA-N -1 0 540.597 6.370 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931545 1071151735 /nfs/dbraw/zinc/15/17/35/1071151735.db2.gz NAGWXIMKUUEWFF-BKATZKDBSA-N -1 0 618.671 7.109 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408931023 1071155076 /nfs/dbraw/zinc/15/50/76/1071155076.db2.gz GEJCUNJESRVAOD-IIDKFWLGSA-N -1 0 597.089 6.275 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccc(OC)cc1 ZINC000408931108 1071155695 /nfs/dbraw/zinc/15/56/95/1071155695.db2.gz HHYJTPMIWOQPAG-PLISCHTNSA-N -1 0 542.249 5.176 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccccc1 ZINC000408930033 1071164268 /nfs/dbraw/zinc/16/42/68/1071164268.db2.gz RFIPCHDXBLARFH-WZGRHJFWSA-N -1 0 502.592 5.604 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N/c1ccccc1 ZINC000408929799 1071168264 /nfs/dbraw/zinc/16/82/64/1071168264.db2.gz OGLXPOVRNOZTID-MBGKWCLDSA-N -1 0 754.384 6.814 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408929230 1071175119 /nfs/dbraw/zinc/17/51/19/1071175119.db2.gz SAQKGCXBTJYYEG-YNHMEYCFSA-N -1 0 608.514 5.797 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928975 1071175145 /nfs/dbraw/zinc/17/51/45/1071175145.db2.gz NNAXJZCVLFRLDP-KAOCIJRYSA-N -1 0 717.367 5.973 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408934116 1071201115 /nfs/dbraw/zinc/20/11/15/1071201115.db2.gz LHGAKAXRDLSSTF-AUWVMUTASA-N -1 0 652.744 8.043 40 30 KKEBRM CC[C@@H](C)Oc1c(I)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408935774 1071220442 /nfs/dbraw/zinc/22/04/42/1071220442.db2.gz NQHQTNPEQFEJIY-PJMXRACVSA-N -1 0 672.541 6.988 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(I)c(OCc4ccc(I)cc4)c(I)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935143 1071225441 /nfs/dbraw/zinc/22/54/41/1071225441.db2.gz MQQPWDALWUPTPW-VOYMCNKXSA-N -1 0 928.324 8.590 40 30 KKEBRM Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408933570 1071240629 /nfs/dbraw/zinc/24/06/29/1071240629.db2.gz BKDZKFACCMFJEN-RWPZCVJISA-N -1 0 505.983 7.256 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OCC ZINC000110708435 1071243382 /nfs/dbraw/zinc/24/33/82/1071243382.db2.gz FIEZTNIUUVCZBH-JLPGSUDCSA-N -1 0 529.680 6.634 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408933283 1071243663 /nfs/dbraw/zinc/24/36/63/1071243663.db2.gz AGRDTSDVTLPLMK-VHOCVAHHSA-N -1 0 534.081 7.382 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708657 1071244064 /nfs/dbraw/zinc/24/40/64/1071244064.db2.gz VWZJHYHNBKPEPD-GJQHCVRFSA-N -1 0 513.681 6.927 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC ZINC000110708665 1071244072 /nfs/dbraw/zinc/24/40/72/1071244072.db2.gz SALOAJNCBKRQGV-WMWHPZEKSA-N -1 0 529.680 6.633 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000110708859 1071244582 /nfs/dbraw/zinc/24/45/82/1071244582.db2.gz RFZZKFXBDHICTM-SAHIIKMKSA-N -1 0 543.707 7.023 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408933014 1071246737 /nfs/dbraw/zinc/24/67/37/1071246737.db2.gz GPOGZPBKEAMJEC-LEGKVYBRSA-N -1 0 508.599 6.659 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408932710 1071249963 /nfs/dbraw/zinc/24/99/63/1071249963.db2.gz YUHNIWMPVJJLMW-JEQQQZIYSA-N -1 0 595.515 6.976 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1I ZINC000408932720 1071250103 /nfs/dbraw/zinc/25/01/03/1071250103.db2.gz DROACIRMBAMMDC-NFASZRGGSA-N -1 0 747.365 6.753 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408932546 1071251249 /nfs/dbraw/zinc/25/12/49/1071251249.db2.gz XHMUNTRDOIVCQD-IAPUUSCPSA-N -1 0 527.429 6.813 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932411 1071252505 /nfs/dbraw/zinc/25/25/05/1071252505.db2.gz WWBYFXDNQVFFPB-OGJGDWFSSA-N -1 0 615.107 7.439 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932894 1071248802 /nfs/dbraw/zinc/24/88/02/1071248802.db2.gz FOFZHQBJSUSYIH-UPPSBMKDSA-N -1 0 751.555 7.298 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OC(C)C ZINC000408932237 1071253535 /nfs/dbraw/zinc/25/35/35/1071253535.db2.gz VBESHUZCJKCPRL-XZAJGXKFSA-N -1 0 533.444 5.875 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932050 1071254228 /nfs/dbraw/zinc/25/42/28/1071254228.db2.gz SMCPRFVTXCTQOD-SOYCWMIESA-N -1 0 503.536 5.414 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932067 1071254259 /nfs/dbraw/zinc/25/42/59/1071254259.db2.gz SRDGPMSHJXPSTF-OGTVYNARSA-N -1 0 595.633 6.685 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC ZINC000408940690 1071314871 /nfs/dbraw/zinc/31/48/71/1071314871.db2.gz VHOXXACQIYGZBT-JNGXCMENSA-N -1 0 553.036 6.258 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408939556 1071323094 /nfs/dbraw/zinc/32/30/94/1071323094.db2.gz SXUIAFNMTTYFDL-MLYXKJEJSA-N -1 0 685.221 8.338 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408952656 1071343966 /nfs/dbraw/zinc/34/39/66/1071343966.db2.gz OPAHSVMGOKZOLT-FOKLQQMPSA-N -1 0 734.372 6.595 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408956788 1071375741 /nfs/dbraw/zinc/37/57/41/1071375741.db2.gz YLDMADWGWCNILZ-DHRITJCHSA-N -1 0 603.513 5.994 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408956380 1071379195 /nfs/dbraw/zinc/37/91/95/1071379195.db2.gz WIZJSTPRIVVSBW-ZVHZXABRSA-N -1 0 540.572 5.096 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408956168 1071380035 /nfs/dbraw/zinc/38/00/35/1071380035.db2.gz ZABAKQDICUKSIY-NKVSQWTQSA-N -1 0 500.407 6.299 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408694479 1071388491 /nfs/dbraw/zinc/38/84/91/1071388491.db2.gz IJACMURLEVLEHZ-FYJGNVAPSA-N -1 0 543.447 6.104 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408955154 1071387009 /nfs/dbraw/zinc/38/70/09/1071387009.db2.gz SWPIUZBBUATWAA-DPNNOFEESA-N -1 0 742.654 8.132 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408967146 1071402456 /nfs/dbraw/zinc/40/24/56/1071402456.db2.gz SOXDCOLZNKIKBU-RGVLZGJSSA-N -1 0 578.271 6.925 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965485 1071414057 /nfs/dbraw/zinc/41/40/57/1071414057.db2.gz HXGABUNNRVJVKL-HRUMIUIVSA-N -1 0 502.592 5.823 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c2C)c1 ZINC000408964026 1071419883 /nfs/dbraw/zinc/41/98/83/1071419883.db2.gz BGSNXTZOXIHKBD-RTSKBFCNSA-N -1 0 579.678 6.773 40 30 KKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c1[O-] ZINC000408973891 1071447230 /nfs/dbraw/zinc/44/72/30/1071447230.db2.gz WESYFCFGBLOILN-RWPZCVJISA-N -1 0 507.612 6.649 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(Br)cc1 ZINC000408967753 1071465843 /nfs/dbraw/zinc/46/58/43/1071465843.db2.gz UNPYHGWIVOUJQV-OLZWGXQXSA-N -1 0 567.461 6.359 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1cccc(C(=O)[O-])c1 ZINC000408967295 1071466953 /nfs/dbraw/zinc/46/69/53/1071466953.db2.gz PTPYRQPMTMYREF-LGSKZASQSA-N -1 0 501.652 6.714 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C(=O)[O-])cc4C)N(C)C3=O)c2C)c1 ZINC000408967471 1071467073 /nfs/dbraw/zinc/46/70/73/1071467073.db2.gz SAGMWTOURQBRKB-HRUMIUIVSA-N -1 0 517.607 5.511 40 30 KKEBRM Cc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408986891 1071487320 /nfs/dbraw/zinc/48/73/20/1071487320.db2.gz PUWQBRILSVEIKA-FJEPWZHXSA-N -1 0 501.608 6.006 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408986742 1071488771 /nfs/dbraw/zinc/48/87/71/1071488771.db2.gz DHSWRLARKAJUNO-QRVIBDJDSA-N -1 0 534.971 5.770 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408986314 1071492353 /nfs/dbraw/zinc/49/23/53/1071492353.db2.gz BSSLVQXEDRJDSX-JJFYIABZSA-N -1 0 560.990 5.360 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408984225 1071511546 /nfs/dbraw/zinc/51/15/46/1071511546.db2.gz QBNZFRRCRNDGTN-UUYOSTAYSA-N -1 0 644.747 7.147 40 30 KKEBRM CCOc1cc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc(Br)c1[O-] ZINC000408726941 1071514588 /nfs/dbraw/zinc/51/45/88/1071514588.db2.gz WHFZOQOUNKWLCA-WCMJOSRZSA-N -1 0 547.405 7.120 40 30 KKEBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408984129 1071513303 /nfs/dbraw/zinc/51/33/03/1071513303.db2.gz PTVGVXUFSJRQAJ-UKWGHVSLSA-N -1 0 536.371 5.428 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408983878 1071513382 /nfs/dbraw/zinc/51/33/82/1071513382.db2.gz NWJIWFNQMQYKEC-PKAZHMFMSA-N -1 0 537.015 6.776 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408982606 1071525297 /nfs/dbraw/zinc/52/52/97/1071525297.db2.gz IGNIFKDTRQIJSE-FBHDLOMBSA-N -1 0 594.849 5.927 40 30 KKEBRM N#Cc1c(/N=C/c2cc(Br)c([O-])c(Br)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408722666 1071531562 /nfs/dbraw/zinc/53/15/62/1071531562.db2.gz BVAVSVVRDWATOY-CCVNUDIWSA-N -1 0 522.196 7.466 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408981370 1071536328 /nfs/dbraw/zinc/53/63/28/1071536328.db2.gz AXVGAHOCWNAYOG-UUYOSTAYSA-N -1 0 515.953 5.164 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000408722615 1071533368 /nfs/dbraw/zinc/53/33/68/1071533368.db2.gz MGGJYUABYQLOJV-NTUHNPAUSA-N -1 0 542.238 5.161 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408981391 1071533537 /nfs/dbraw/zinc/53/35/37/1071533537.db2.gz AUWCZEUWUOPVFA-QRVIBDJDSA-N -1 0 574.431 5.527 40 30 KKEBRM O=C(N=C([N-]C(=O)OCc1ccccc1)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1 ZINC000408720003 1071545419 /nfs/dbraw/zinc/54/54/19/1071545419.db2.gz IKOOQMGVGRDSIF-YTTGMZPUSA-N -1 0 665.747 5.587 40 30 KKEBRM Cc1ccc(Nc2nc(N=NCc3c(Br)cc(Br)c([O-])c3Br)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000408734724 1071564215 /nfs/dbraw/zinc/56/42/15/1071564215.db2.gz CKJMLBWXQYOMHN-ATZGPIRCSA-N -1 0 730.303 7.822 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408993383 1071565536 /nfs/dbraw/zinc/56/55/36/1071565536.db2.gz WJWJTZIHFSFHFA-ONUIUJJFSA-N -1 0 555.587 5.530 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408992486 1071571686 /nfs/dbraw/zinc/57/16/86/1071571686.db2.gz SXNYUIZXGAXOBJ-XKZIYDEJSA-N -1 0 551.426 6.284 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)S2)cc1 ZINC000408991421 1071582161 /nfs/dbraw/zinc/58/21/61/1071582161.db2.gz OBLAXUMIRLYVMY-HMAPJEAMSA-N -1 0 528.571 5.884 40 30 KKEBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408740830 1071628429 /nfs/dbraw/zinc/62/84/29/1071628429.db2.gz IIYHLOOVJNYQER-CIAFOILYSA-N -1 0 532.419 5.040 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1Br ZINC000408740632 1071629063 /nfs/dbraw/zinc/62/90/63/1071629063.db2.gz HQNODHNXSWAWJN-ZSOIEALJSA-N -1 0 615.141 5.679 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408756622 1071637751 /nfs/dbraw/zinc/63/77/51/1071637751.db2.gz SWEBUCHUBVRYSK-KEBDBYFISA-N -1 0 672.273 5.488 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc(C)c1Br ZINC000408755451 1071644937 /nfs/dbraw/zinc/64/49/37/1071644937.db2.gz UZHXSJIRHNHQJL-NHDPSOOVSA-N -1 0 650.776 7.651 40 30 KKEBRM O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408755207 1071647283 /nfs/dbraw/zinc/64/72/83/1071647283.db2.gz ZLANHMQLVMUJMH-NTUHNPAUSA-N -1 0 580.039 5.413 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)ccc1Br ZINC000408755060 1071648362 /nfs/dbraw/zinc/64/83/62/1071648362.db2.gz TWOMHQYHZZRCGP-CIAFOILYSA-N -1 0 595.247 5.637 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408754625 1071651657 /nfs/dbraw/zinc/65/16/57/1071651657.db2.gz NZUHBIRWMJCRDF-MTDXEUNCSA-N -1 0 625.519 7.283 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408753985 1071654528 /nfs/dbraw/zinc/65/45/28/1071654528.db2.gz OZOJDYPQGOJSRP-LPYMAVHISA-N -1 0 655.299 6.402 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c([O-])c(Br)c2)C1=O ZINC000408999598 1071654678 /nfs/dbraw/zinc/65/46/78/1071654678.db2.gz VBNSLPZGNHRFNV-GDNBJRDFSA-N -1 0 525.218 5.461 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408753060 1071660417 /nfs/dbraw/zinc/66/04/17/1071660417.db2.gz HKQSJRXSRVAWOY-LPYMAVHISA-N -1 0 644.349 7.437 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408751637 1071669608 /nfs/dbraw/zinc/66/96/08/1071669608.db2.gz AUSVHEXPBSGUBD-UUYOSTAYSA-N -1 0 601.906 6.897 40 30 KKEBRM CCN1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409013693 1071678865 /nfs/dbraw/zinc/67/88/65/1071678865.db2.gz NIXXJHCYVLJXPB-UONZWGMASA-N -1 0 517.836 5.608 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408750061 1071679817 /nfs/dbraw/zinc/67/98/17/1071679817.db2.gz WZGMYHWOYOJVFW-GIDUJCDVSA-N -1 0 532.199 5.120 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2Br)cc1 ZINC000408749836 1071680492 /nfs/dbraw/zinc/68/04/92/1071680492.db2.gz JIKYMFCIXABWPM-OPVMPGTRSA-N -1 0 550.163 5.238 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)cc1Br ZINC000408749716 1071682308 /nfs/dbraw/zinc/68/23/08/1071682308.db2.gz SFKWKAVSELLOLQ-LHHJGKSTSA-N -1 0 636.072 5.237 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1Br ZINC000408749799 1071682834 /nfs/dbraw/zinc/68/28/34/1071682834.db2.gz UNCULIKHPUSPFV-LHHJGKSTSA-N -1 0 581.069 5.873 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=Nc2ccc(Br)c(Cl)c2)N(C)C1=O ZINC000409012074 1071685072 /nfs/dbraw/zinc/68/50/72/1071685072.db2.gz IYQAAWMSGQUIAZ-ADZDMLINSA-N -1 0 503.809 5.218 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408760833 1071695089 /nfs/dbraw/zinc/69/50/89/1071695089.db2.gz GJBUWTPQKPKUQH-MFKUBSTISA-N -1 0 600.469 6.002 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408758396 1071705936 /nfs/dbraw/zinc/70/59/36/1071705936.db2.gz JPWZXRPSBKEJQB-QFEZKATASA-N -1 0 581.488 6.579 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(Br)cc3C)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408765329 1071724134 /nfs/dbraw/zinc/72/41/34/1071724134.db2.gz PCLGMFJADGNDFF-YDZHTSKRSA-N -1 0 553.434 5.935 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)S2)cc1 ZINC000408762122 1071736779 /nfs/dbraw/zinc/73/67/79/1071736779.db2.gz JFRCJTLPCNMHJU-SXGWCWSVSA-N -1 0 540.233 5.129 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000409018185 1071733080 /nfs/dbraw/zinc/73/30/80/1071733080.db2.gz YFBVZNMQCNBUQV-FDHMRPASSA-N -1 0 528.561 6.597 40 30 KKEBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409018429 1071733199 /nfs/dbraw/zinc/73/31/99/1071733199.db2.gz HIUDTUUZOMWLJK-STBIYBPSSA-N -1 0 562.651 5.385 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000408763153 1071733260 /nfs/dbraw/zinc/73/32/60/1071733260.db2.gz NQUMKEZKEQAHGK-UCQKPKSFSA-N -1 0 537.435 6.180 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408762795 1071735016 /nfs/dbraw/zinc/73/50/16/1071735016.db2.gz MFIAMOAXCFEJAU-FYJGNVAPSA-N -1 0 628.292 6.633 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408761666 1071738954 /nfs/dbraw/zinc/73/89/54/1071738954.db2.gz AMNNWEZEPCIELG-IWIPYMOSSA-N -1 0 581.488 6.579 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408777065 1071746483 /nfs/dbraw/zinc/74/64/83/1071746483.db2.gz ULWSMSPPSTXHSG-OEAKJJBVSA-N -1 0 579.878 6.693 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408776196 1071751489 /nfs/dbraw/zinc/75/14/89/1071751489.db2.gz VDBKRDCGSPURQT-RIYZIHGNSA-N -1 0 573.749 5.751 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408776057 1071751811 /nfs/dbraw/zinc/75/18/11/1071751811.db2.gz SYGGPRIJKQBYRO-PCLIKHOPSA-N -1 0 531.008 6.021 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1C(C)C ZINC000409281272 1071752683 /nfs/dbraw/zinc/75/26/83/1071752683.db2.gz LXRBAFHJSMQBKK-UHFFFAOYSA-N -1 0 548.643 6.492 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408774155 1071763388 /nfs/dbraw/zinc/76/33/88/1071763388.db2.gz BMPCHSJUDDTZFE-LPYMAVHISA-N -1 0 586.269 6.730 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408774182 1071763520 /nfs/dbraw/zinc/76/35/20/1071763520.db2.gz AUNTUSFTEKFGLF-YZSQISJMSA-N -1 0 510.590 5.676 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409032932 1071773796 /nfs/dbraw/zinc/77/37/96/1071773796.db2.gz KJFWNERGNYCULY-UHFFFAOYSA-N -1 0 526.630 5.421 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000408772670 1071772311 /nfs/dbraw/zinc/77/23/11/1071772311.db2.gz GTMBRENLTRBREP-AUWJEWJLSA-N -1 0 502.173 5.111 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408772691 1071772367 /nfs/dbraw/zinc/77/23/67/1071772367.db2.gz FDJLSAXHQQTRMO-LRUGRNCASA-N -1 0 500.620 5.854 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(O[C@H](C)C(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409279960 1071774806 /nfs/dbraw/zinc/77/48/06/1071774806.db2.gz IDFGKKHNMCAMST-LJQANCHMSA-N -1 0 670.988 7.443 40 30 KKEBRM O=C([O-])COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I ZINC000409279922 1071779458 /nfs/dbraw/zinc/77/94/58/1071779458.db2.gz ICDWWWTUGNFGLX-UHFFFAOYSA-N -1 0 691.219 5.365 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br ZINC000409280037 1071776279 /nfs/dbraw/zinc/77/62/79/1071776279.db2.gz JDZKWSKHXMRPQI-UHFFFAOYSA-N -1 0 580.744 5.844 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409279527 1071782941 /nfs/dbraw/zinc/78/29/41/1071782941.db2.gz IAAKOLNUBJBBOW-AWEZNQCLSA-N -1 0 552.370 5.859 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409279477 1071786716 /nfs/dbraw/zinc/78/67/16/1071786716.db2.gz GZDIYVIXWMQFRM-AWEZNQCLSA-N -1 0 596.821 5.968 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409278821 1071795393 /nfs/dbraw/zinc/79/53/93/1071795393.db2.gz FNFRZUKNVCNIBM-UHFFFAOYSA-N -1 0 638.474 7.130 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409278667 1071797581 /nfs/dbraw/zinc/79/75/81/1071797581.db2.gz DPSQSQQDTOKLQI-UHFFFAOYSA-N -1 0 616.222 5.298 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409278700 1071798046 /nfs/dbraw/zinc/79/80/46/1071798046.db2.gz FLQIAYILLWOABU-UHFFFAOYSA-N -1 0 606.635 6.572 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409278337 1071807088 /nfs/dbraw/zinc/80/70/88/1071807088.db2.gz DMUUHENKQJCLIU-UHFFFAOYSA-N -1 0 717.560 7.277 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br ZINC000408767461 1071809804 /nfs/dbraw/zinc/80/98/04/1071809804.db2.gz XYABVLNIGHDLAP-ZSOIEALJSA-N -1 0 599.073 5.514 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409277967 1071811043 /nfs/dbraw/zinc/81/10/43/1071811043.db2.gz CILLEULBKFOKAP-UHFFFAOYSA-N -1 0 558.594 6.035 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408782467 1071811275 /nfs/dbraw/zinc/81/12/75/1071811275.db2.gz IVMWPCXXYBCTER-VUTHCHCSSA-N -1 0 546.623 6.521 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@H](C)C(=O)[O-])c(I)c2)cc1C(C)C ZINC000409278022 1071811752 /nfs/dbraw/zinc/81/17/52/1071811752.db2.gz CLSUHBNOAJLNFT-GOSISDBHSA-N -1 0 765.386 6.837 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277869 1071814262 /nfs/dbraw/zinc/81/42/62/1071814262.db2.gz BKOKVPBCAVGALN-UHFFFAOYSA-N -1 0 705.892 7.236 40 30 KKEBRM C[C@@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409293971 1071822915 /nfs/dbraw/zinc/82/29/15/1071822915.db2.gz MQCWYOWASHAZLC-CQSZACIVSA-N -1 0 515.875 5.470 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1O[C@@H](C)C(=O)[O-] ZINC000409277585 1071820072 /nfs/dbraw/zinc/82/00/72/1071820072.db2.gz BHEYSKZAFOTNMM-IBGZPJMESA-N -1 0 529.593 5.247 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409293862 1071826590 /nfs/dbraw/zinc/82/65/90/1071826590.db2.gz JPHVIZVYAREHSR-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409045509 1071824382 /nfs/dbraw/zinc/82/43/82/1071824382.db2.gz YWEOOZSEVZDYNK-VGOFMYFVSA-N -1 0 554.622 5.405 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408780395 1071824861 /nfs/dbraw/zinc/82/48/61/1071824861.db2.gz BVVZIELQWMHBCX-STBIYBPSSA-N -1 0 530.584 5.520 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409293804 1071831389 /nfs/dbraw/zinc/83/13/89/1071831389.db2.gz LOMUCQYOYSLMBQ-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408778938 1071833300 /nfs/dbraw/zinc/83/33/00/1071833300.db2.gz ZUQPHYFRVXNGCF-MFKUBSTISA-N -1 0 622.459 5.891 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408777945 1071840724 /nfs/dbraw/zinc/84/07/24/1071840724.db2.gz MSSSTQIYJYICDK-LFVJCYFKSA-N -1 0 531.406 5.731 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408777755 1071841300 /nfs/dbraw/zinc/84/13/00/1071841300.db2.gz HUPVJJHDCOIAER-HZHRSRAPSA-N -1 0 507.373 5.967 40 30 KKEBRM Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)c1C ZINC000408778566 1071837124 /nfs/dbraw/zinc/83/71/24/1071837124.db2.gz HIAPRDNINCQIGT-QRVIBDJDSA-N -1 0 584.435 6.077 40 30 KKEBRM Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)c1 ZINC000408777483 1071843368 /nfs/dbraw/zinc/84/33/68/1071843368.db2.gz 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C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408783492 1071870512 /nfs/dbraw/zinc/87/05/12/1071870512.db2.gz PSTWZKZFVINULO-SRZZPIQSSA-N -1 0 595.833 5.805 40 30 KKEBRM N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408784181 1071865273 /nfs/dbraw/zinc/86/52/73/1071865273.db2.gz UDLGDDMXBUHSCO-CIAFOILYSA-N -1 0 536.769 5.220 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409291909 1071868101 /nfs/dbraw/zinc/86/81/01/1071868101.db2.gz RMUAZQWXIPCJSR-IBGZPJMESA-N -1 0 548.039 6.282 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409291913 1071868950 /nfs/dbraw/zinc/86/89/50/1071868950.db2.gz RMUAZQWXIPCJSR-LJQANCHMSA-N -1 0 548.039 6.282 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408797207 1071876905 /nfs/dbraw/zinc/87/69/05/1071876905.db2.gz QJIAMEKNMULHMB-HMGGVMEDSA-N -1 0 603.494 7.122 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c([N+](=O)[O-])c3)cc21 ZINC000409291542 1071873268 /nfs/dbraw/zinc/87/32/68/1071873268.db2.gz QDRMLCUYVLRLJE-UHFFFAOYSA-N -1 0 624.993 6.539 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291617 1071874537 /nfs/dbraw/zinc/87/45/37/1071874537.db2.gz YDNMEFATAUUNDG-UHFFFAOYSA-N -1 0 619.697 6.297 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408795721 1071881862 /nfs/dbraw/zinc/88/18/62/1071881862.db2.gz MXXWDMUSPFUUQJ-VGSQXBGSSA-N -1 0 573.070 7.403 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409291114 1071882388 /nfs/dbraw/zinc/88/23/88/1071882388.db2.gz WKBGAWXASQBWSY-GOSISDBHSA-N -1 0 656.961 7.053 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796164 1071880016 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/nfs/dbraw/zinc/89/54/16/1071895416.db2.gz JIOKRPDFKFLVAL-ZQQCWGMFSA-N -1 0 523.408 5.960 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408789261 1071896140 /nfs/dbraw/zinc/89/61/40/1071896140.db2.gz HZQRZJJPPHLJQC-HFNVZGQZSA-N -1 0 592.471 6.230 40 30 KKEBRM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409290164 1071897840 /nfs/dbraw/zinc/89/78/40/1071897840.db2.gz KIDOJGUCOVWWSF-UHFFFAOYSA-N -1 0 522.708 6.086 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409289912 1071903788 /nfs/dbraw/zinc/90/37/88/1071903788.db2.gz IZKRILJECYRHCH-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408806762 1071902036 /nfs/dbraw/zinc/90/20/36/1071902036.db2.gz BRXSYHSZCFZDLV-RIYZIHGNSA-N -1 0 587.197 5.228 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)cc21 ZINC000409289829 1071906934 /nfs/dbraw/zinc/90/69/34/1071906934.db2.gz IKPUFDKKBJRUNP-UHFFFAOYSA-N -1 0 519.513 5.967 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c2)cc1C(C)C ZINC000409289533 1071912269 /nfs/dbraw/zinc/91/22/69/1071912269.db2.gz GWYVURDKDUJADV-KRWDZBQOSA-N -1 0 751.359 6.447 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409289254 1071917198 /nfs/dbraw/zinc/91/71/98/1071917198.db2.gz FJAJDOINHBJDND-UHFFFAOYSA-N -1 0 747.396 7.901 40 30 KKEBRM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409289033 1071918720 /nfs/dbraw/zinc/91/87/20/1071918720.db2.gz KOUUGFLYTARFKI-UHFFFAOYSA-N -1 0 567.159 6.195 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409056659 1071920898 /nfs/dbraw/zinc/92/08/98/1071920898.db2.gz SPJZLPHHXYLXSF-YHSWEDCKSA-N -1 0 571.880 7.004 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409288575 1071925492 /nfs/dbraw/zinc/92/54/92/1071925492.db2.gz BAIFEGPAGOJBDS-UHFFFAOYSA-N -1 0 699.558 7.724 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br)C(=O)[O-] ZINC000409288606 1071926088 /nfs/dbraw/zinc/92/60/88/1071926088.db2.gz IDCHRTSESPUWKW-AWEZNQCLSA-N -1 0 611.246 6.069 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409055194 1071929563 /nfs/dbraw/zinc/92/95/63/1071929563.db2.gz DGMTVPUTSWVBCT-XQZYSCBQSA-N -1 0 503.418 5.806 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2Cl)cc1 ZINC000409288267 1071930053 /nfs/dbraw/zinc/93/00/53/1071930053.db2.gz FMRAKJLHVRTFSN-UHFFFAOYSA-N -1 0 584.415 7.276 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409288000 1071935188 /nfs/dbraw/zinc/93/51/88/1071935188.db2.gz BPWBGQOBRCBFSH-SFHVURJKSA-N -1 0 553.571 5.290 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC000409287931 1071938143 /nfs/dbraw/zinc/93/81/43/1071938143.db2.gz AUQUCTYJZUEDKI-UHFFFAOYSA-N -1 0 571.653 5.218 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)cc21 ZINC000409287944 1071938717 /nfs/dbraw/zinc/93/87/17/1071938717.db2.gz AZCVAUZWJKPNJK-UHFFFAOYSA-N -1 0 797.343 7.187 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409297239 1071948768 /nfs/dbraw/zinc/94/87/68/1071948768.db2.gz SRVYCPBNBUNVLK-OAHLLOKOSA-N -1 0 610.848 6.358 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409297017 1071954582 /nfs/dbraw/zinc/95/45/82/1071954582.db2.gz VKXOXQANWJVRAC-UHFFFAOYSA-N -1 0 717.370 7.893 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409297295 1071949959 /nfs/dbraw/zinc/94/99/59/1071949959.db2.gz 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C=CCc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409062638 1072023967 /nfs/dbraw/zinc/02/39/67/1072023967.db2.gz YDWJFTLYHWBPIP-VHFGAPOISA-N -1 0 563.075 6.978 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409305585 1072024302 /nfs/dbraw/zinc/02/43/02/1072024302.db2.gz NEORZYHBEUSUCM-UHFFFAOYSA-N -1 0 543.501 6.242 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409305464 1072026401 /nfs/dbraw/zinc/02/64/01/1072026401.db2.gz NEZKSBGABDYBQM-UHFFFAOYSA-N -1 0 619.697 6.297 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409061556 1072027765 /nfs/dbraw/zinc/02/77/65/1072027765.db2.gz FMPQZJKMUBSCHE-GJRFINFQSA-N -1 0 592.471 6.230 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409060226 1072034801 /nfs/dbraw/zinc/03/48/01/1072034801.db2.gz 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1072048630 /nfs/dbraw/zinc/04/86/30/1072048630.db2.gz HMHMHYQFJYIPDD-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2[O-])cc1C(C)C ZINC000409304138 1072043882 /nfs/dbraw/zinc/04/38/82/1072043882.db2.gz JCIJQVZUTBGPSF-UHFFFAOYSA-N -1 0 554.872 6.898 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409304022 1072046315 /nfs/dbraw/zinc/04/63/15/1072046315.db2.gz IYVMBGFGIQJBDD-UHFFFAOYSA-N -1 0 650.688 6.970 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409076598 1072048468 /nfs/dbraw/zinc/04/84/68/1072048468.db2.gz AXSRPPWSGMKCLD-YGNIGIFCSA-N -1 0 566.723 8.179 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076284 1072051697 /nfs/dbraw/zinc/05/16/97/1072051697.db2.gz ALIXWGNFLALSOF-WPWMEQJKSA-N -1 0 673.600 7.388 40 30 KKEBRM 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1072074905 /nfs/dbraw/zinc/07/49/05/1072074905.db2.gz GKVDZPXHOHNTFL-UHFFFAOYSA-N -1 0 515.525 5.969 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409073601 1072074926 /nfs/dbraw/zinc/07/49/26/1072074926.db2.gz QMTSZIXDWFJVQW-UHFFFAOYSA-N -1 0 685.055 8.241 40 30 KKEBRM O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)cc1[N+](=O)[O-] ZINC000409301786 1072075021 /nfs/dbraw/zinc/07/50/21/1072075021.db2.gz CEOXMLCFELNZKJ-UHFFFAOYSA-N -1 0 642.216 5.589 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409073109 1072077504 /nfs/dbraw/zinc/07/75/04/1072077504.db2.gz XHQKQRZHAKNCHK-YDZHTSKRSA-N -1 0 520.944 5.462 40 30 KKEBRM C=CCOc1c(CC=C)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000409072277 1072083938 /nfs/dbraw/zinc/08/39/38/1072083938.db2.gz BNDUCXPIYHFBPA-UHFFFAOYSA-N -1 0 561.719 6.539 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409073040 1072078921 /nfs/dbraw/zinc/07/89/21/1072078921.db2.gz FXOUKCBEXPWESO-UHFFFAOYSA-N -1 0 660.616 7.230 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409072989 1072079030 /nfs/dbraw/zinc/07/90/30/1072079030.db2.gz WPRVTXALYLZKHV-BUVRLJJBSA-N -1 0 561.978 5.621 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073041 1072079466 /nfs/dbraw/zinc/07/94/66/1072079466.db2.gz UQDYZXCSDMGXQK-UHFFFAOYSA-N -1 0 543.660 6.336 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C2=C1CCCC2=O ZINC000409072811 1072079481 /nfs/dbraw/zinc/07/94/81/1072079481.db2.gz LEHRYAWVNITRAE-UHFFFAOYSA-N -1 0 647.335 6.818 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409072664 1072080919 /nfs/dbraw/zinc/08/09/19/1072080919.db2.gz 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CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409298277 1072121552 /nfs/dbraw/zinc/12/15/52/1072121552.db2.gz MNTURVHDLZTYPG-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-] ZINC000409297923 1072124588 /nfs/dbraw/zinc/12/45/88/1072124588.db2.gz MYONVZYPGCAQPK-NSHDSACASA-N -1 0 724.131 5.400 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409297774 1072126709 /nfs/dbraw/zinc/12/67/09/1072126709.db2.gz XKWUFMNIPRNHIN-UHFFFAOYSA-N -1 0 667.628 6.260 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1I)C(=O)[O-] ZINC000409297767 1072126725 /nfs/dbraw/zinc/12/67/25/1072126725.db2.gz XJMSSWBPAFBBBM-CQSZACIVSA-N -1 0 613.795 5.802 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409297665 1072129417 /nfs/dbraw/zinc/12/94/17/1072129417.db2.gz UTJYUWCTLJNBRW-UHFFFAOYSA-N -1 0 516.557 6.106 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409079537 1072132763 /nfs/dbraw/zinc/13/27/63/1072132763.db2.gz KUIWZWOWOCUMGH-PCLIKHOPSA-N -1 0 530.552 5.207 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000409079610 1072133579 /nfs/dbraw/zinc/13/35/79/1072133579.db2.gz LEGTXKQLCNOZLY-ODLFYWEKSA-N -1 0 557.194 5.833 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409079359 1072134070 /nfs/dbraw/zinc/13/40/70/1072134070.db2.gz JLSMAQABIVWOIP-FKDKVRNPSA-N -1 0 601.168 8.833 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409078970 1072139568 /nfs/dbraw/zinc/13/95/68/1072139568.db2.gz JTOPZGYBDRFYCY-UHFFFAOYSA-N -1 0 578.105 6.941 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000409315210 1072137135 /nfs/dbraw/zinc/13/71/35/1072137135.db2.gz UPVDQUSZQYHHAT-UHFFFAOYSA-N -1 0 534.410 5.661 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)cc(I)c1OCC(=O)[O-] ZINC000409079313 1072137289 /nfs/dbraw/zinc/13/72/89/1072137289.db2.gz JHBRTGHEYLPQNW-MYCKWAMASA-N -1 0 680.992 7.632 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409079048 1072137302 /nfs/dbraw/zinc/13/73/02/1072137302.db2.gz KMDODLCNCFEBRQ-ZQYOCUCXSA-N -1 0 662.505 7.386 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078548 1072144456 /nfs/dbraw/zinc/14/44/56/1072144456.db2.gz IHHMLSLORHJZCD-UHFFFAOYSA-N -1 0 770.393 8.701 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000409078293 1072147767 /nfs/dbraw/zinc/14/77/67/1072147767.db2.gz HTLZZHZYHMUMDW-CIKNCDAESA-N -1 0 502.592 5.221 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409313742 1072149143 /nfs/dbraw/zinc/14/91/43/1072149143.db2.gz CXZYSGDMBCLZST-KGLIPLIRSA-N -1 0 642.288 5.410 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409313207 1072154779 /nfs/dbraw/zinc/15/47/79/1072154779.db2.gz OTJIVIVRSBEVIF-JKSUJKDBSA-N -1 0 542.430 5.144 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409312823 1072156185 /nfs/dbraw/zinc/15/61/85/1072156185.db2.gz NRVZAPJPPMYUIT-SFHVURJKSA-N -1 0 578.463 6.231 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409312820 1072156191 /nfs/dbraw/zinc/15/61/91/1072156191.db2.gz NRVZAPJPPMYUIT-GOSISDBHSA-N -1 0 578.463 6.231 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409311939 1072165623 /nfs/dbraw/zinc/16/56/23/1072165623.db2.gz IPPKHGFWNQVSGO-CHWSQXEVSA-N -1 0 551.235 5.169 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086410 1072166884 /nfs/dbraw/zinc/16/68/84/1072166884.db2.gz VLARXWLCYNENDF-UHFFFAOYSA-N -1 0 698.523 6.837 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409085915 1072170841 /nfs/dbraw/zinc/17/08/41/1072170841.db2.gz XHXYPMCNCYSBBU-UHFFFAOYSA-N -1 0 682.524 7.218 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC000409311338 1072171746 /nfs/dbraw/zinc/17/17/46/1072171746.db2.gz ZIJCARDEPSHBLN-ZDUSSCGKSA-N -1 0 581.261 5.007 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409085775 1072172760 /nfs/dbraw/zinc/17/27/60/1072172760.db2.gz ZFQCLHBYYBBCGG-UHFFFAOYSA-N -1 0 670.469 6.345 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409085680 1072174756 /nfs/dbraw/zinc/17/47/56/1072174756.db2.gz CREFDNMHLFITFA-UHFFFAOYSA-N -1 0 728.312 7.819 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409311025 1072177998 /nfs/dbraw/zinc/17/79/98/1072177998.db2.gz DEKMIKRIJBALAZ-QGZVFWFLSA-N -1 0 534.410 5.832 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409310551 1072181742 /nfs/dbraw/zinc/18/17/42/1072181742.db2.gz AVJIQWZWRONKEC-INIZCTEOSA-N -1 0 736.255 7.756 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084889 1072183259 /nfs/dbraw/zinc/18/32/59/1072183259.db2.gz QYDZUCVKNFTQOQ-UHFFFAOYSA-N -1 0 591.573 5.582 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)NCc1ccco1)CC[C@H](C(C)(C)C)C2 ZINC000409084399 1072190762 /nfs/dbraw/zinc/19/07/62/1072190762.db2.gz XWGVLLLMXTYBEM-WMPHVTLRSA-N -1 0 516.667 6.163 40 30 KKEBRM COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)c1[O-] ZINC000409084386 1072190804 /nfs/dbraw/zinc/19/08/04/1072190804.db2.gz BLTXKGPACOPQGH-RNWQJLHQSA-N -1 0 542.057 7.178 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409309523 1072191950 /nfs/dbraw/zinc/19/19/50/1072191950.db2.gz IROQTIUTMOONAY-UHFFFAOYSA-N -1 0 547.453 6.195 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409309557 1072192488 /nfs/dbraw/zinc/19/24/88/1072192488.db2.gz IZVKIDVHEVZALH-UHFFFAOYSA-N -1 0 620.500 6.383 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409083873 1072194486 /nfs/dbraw/zinc/19/44/86/1072194486.db2.gz VXMXRTRTGVAAEN-UHFFFAOYSA-N -1 0 612.601 7.176 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409083794 1072196551 /nfs/dbraw/zinc/19/65/51/1072196551.db2.gz WHYKHELBYJSZSI-VCODYHGSSA-N -1 0 540.685 8.169 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000409083667 1072198763 /nfs/dbraw/zinc/19/87/63/1072198763.db2.gz LHGAIKGTMVFUIT-UHFFFAOYSA-N -1 0 556.493 5.904 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083293 1072200593 /nfs/dbraw/zinc/20/05/93/1072200593.db2.gz UXTVVNLSLYSJTM-UHFFFAOYSA-N -1 0 654.072 6.728 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409308561 1072202056 /nfs/dbraw/zinc/20/20/56/1072202056.db2.gz XVQFYMOQSKFOEP-UHFFFAOYSA-N -1 0 605.670 6.043 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409082736 1072207653 /nfs/dbraw/zinc/20/76/53/1072207653.db2.gz SPHNSIYESBHOMO-PSMFAKESSA-N -1 0 544.673 7.439 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409308276 1072206406 /nfs/dbraw/zinc/20/64/06/1072206406.db2.gz WXBDQLGBANQYHF-OAHLLOKOSA-N -1 0 517.925 5.206 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409082610 1072209557 /nfs/dbraw/zinc/20/95/57/1072209557.db2.gz QIPDFFWWFVLRFD-RWWIKHTRSA-N -1 0 645.619 8.942 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082667 1072210095 /nfs/dbraw/zinc/21/00/95/1072210095.db2.gz SGLFHOBQTMAQMD-UHFFFAOYSA-N -1 0 740.469 7.297 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082694 1072210520 /nfs/dbraw/zinc/21/05/20/1072210520.db2.gz QTANPOLPYKPCPY-RGVLZGJSSA-N -1 0 578.921 5.352 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2OCC(=O)[O-])cc1C(C)C ZINC000409308252 1072211030 /nfs/dbraw/zinc/21/10/30/1072211030.db2.gz XUTXLUNGHFJDLO-UHFFFAOYSA-N -1 0 578.463 6.002 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c(I)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409081594 1072221655 /nfs/dbraw/zinc/22/16/55/1072221655.db2.gz QDLYUXYUKFAUNH-RNWQJLHQSA-N -1 0 637.381 7.975 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409307496 1072222447 /nfs/dbraw/zinc/22/24/47/1072222447.db2.gz STCSOUJSTQXZHB-KRWDZBQOSA-N -1 0 579.009 5.800 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)cc1C(C)C ZINC000409307501 1072222497 /nfs/dbraw/zinc/22/24/97/1072222497.db2.gz STEBRZYMMXRDGV-UHFFFAOYSA-N -1 0 610.110 7.707 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409316009 1072234334 /nfs/dbraw/zinc/23/43/34/1072234334.db2.gz XANFHNRCWDNNPJ-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409316121 1072235295 /nfs/dbraw/zinc/23/52/95/1072235295.db2.gz PFVIOAVZUHYKHU-UHFFFAOYSA-N -1 0 557.448 6.003 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093013 1072257946 /nfs/dbraw/zinc/25/79/46/1072257946.db2.gz XMICDQIJQHOLKS-UHFFFAOYSA-N -1 0 681.491 8.483 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409324328 1072265233 /nfs/dbraw/zinc/26/52/33/1072265233.db2.gz SBUJYNWKLAMQSB-KRWDZBQOSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC000409323921 1072269634 /nfs/dbraw/zinc/26/96/34/1072269634.db2.gz QCCTUDYQYJSPOU-NSHDSACASA-N -1 0 571.653 5.434 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@@H](C)C(=O)[O-])c2ccccc12 ZINC000409322975 1072279448 /nfs/dbraw/zinc/27/94/48/1072279448.db2.gz MAEYZYQXRJAUKI-ZBFHGGJFSA-N -1 0 509.404 5.463 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)o2)cc1Cl ZINC000409323009 1072279777 /nfs/dbraw/zinc/27/97/77/1072279777.db2.gz ZADUGKLANJBRBP-UHFFFAOYSA-N -1 0 554.828 6.701 40 30 KKEBRM CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409090306 1072281616 /nfs/dbraw/zinc/28/16/16/1072281616.db2.gz OTWNWHUWZCVUIZ-OLCXPRTASA-N -1 0 507.011 6.631 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409090032 1072283871 /nfs/dbraw/zinc/28/38/71/1072283871.db2.gz OFCSNRDXUJEVGK-UHFFFAOYSA-N -1 0 770.393 8.701 40 30 KKEBRM COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409089588 1072287591 /nfs/dbraw/zinc/28/75/91/1072287591.db2.gz OEJJITSXXOBAOR-IPBVOBEMSA-N -1 0 615.302 5.950 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@@H](C)C(=O)[O-] ZINC000409321669 1072290953 /nfs/dbraw/zinc/29/09/53/1072290953.db2.gz UMZAWNYEBLXEJU-STQMWFEESA-N -1 0 551.235 5.169 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409088850 1072294102 /nfs/dbraw/zinc/29/41/02/1072294102.db2.gz KSFLRIXYHACQLU-UHFFFAOYSA-N -1 0 603.628 6.456 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409320487 1072301532 /nfs/dbraw/zinc/30/15/32/1072301532.db2.gz BLOFZDBOQSULER-LBPRGKRZSA-N -1 0 615.706 5.833 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)[O-])cc1Br ZINC000409320296 1072302611 /nfs/dbraw/zinc/30/26/11/1072302611.db2.gz AGMFXNGDPBTQQS-UHFFFAOYSA-N -1 0 581.261 5.008 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000409320374 1072302914 /nfs/dbraw/zinc/30/29/14/1072302914.db2.gz AONSGPICYJAVDZ-RYUDHWBXSA-N -1 0 596.232 5.077 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409319089 1072313120 /nfs/dbraw/zinc/31/31/20/1072313120.db2.gz AALCDBJHBXEOFV-UHFFFAOYSA-N -1 0 624.919 7.028 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409318785 1072315831 /nfs/dbraw/zinc/31/58/31/1072315831.db2.gz ZNLPAQOXDYKGMZ-HNNXBMFYSA-N -1 0 658.303 6.503 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000409318708 1072317546 /nfs/dbraw/zinc/31/75/46/1072317546.db2.gz XWJZYUGGPHWQSE-UHFFFAOYSA-N -1 0 684.341 7.037 40 30 KKEBRM COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409100064 1072323013 /nfs/dbraw/zinc/32/30/13/1072323013.db2.gz UQXCUHUAOKBFNO-ORBVJSQLSA-N -1 0 524.293 5.595 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409336687 1072329341 /nfs/dbraw/zinc/32/93/41/1072329341.db2.gz VHUVYJWJUSOJKM-WQNUKSJVSA-N -1 0 663.933 6.458 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409336509 1072330643 /nfs/dbraw/zinc/33/06/43/1072330643.db2.gz SZUBURLDDJWEPA-UHFFFAOYSA-N -1 0 604.501 6.398 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000409336089 1072334035 /nfs/dbraw/zinc/33/40/35/1072334035.db2.gz LWCAAABIZHARQV-IWVHASBQSA-N -1 0 685.765 6.625 40 30 KKEBRM CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409106317 1072344896 /nfs/dbraw/zinc/34/48/96/1072344896.db2.gz RFWCFPVRWWGJSZ-XKJRVUDJSA-N -1 0 629.329 6.340 40 30 KKEBRM COc1cccc(Oc2ccc(/N=C/c3cc(Br)cc(I)c3[O-])cc2)c1 ZINC000409105951 1072346217 /nfs/dbraw/zinc/34/62/17/1072346217.db2.gz PRAOAXOTHWKWDW-FSJBWODESA-N -1 0 524.152 6.311 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409332025 1072365469 /nfs/dbraw/zinc/36/54/69/1072365469.db2.gz JHQSARWHKKPISE-OLZOCXBDSA-N -1 0 674.184 6.330 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC000409328044 1072395985 /nfs/dbraw/zinc/39/59/85/1072395985.db2.gz YIAYXPHXLDSNCA-HNNXBMFYSA-N -1 0 535.442 5.969 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC000409327627 1072399648 /nfs/dbraw/zinc/39/96/48/1072399648.db2.gz VHUSOMQONBGRSS-HXUWFJFHSA-N -1 0 627.539 7.239 40 30 KKEBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000409109031 1072401970 /nfs/dbraw/zinc/40/19/70/1072401970.db2.gz ZUJHNCHSXRBAJM-SSDVNMTOSA-N -1 0 581.469 6.012 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409337078 1072404594 /nfs/dbraw/zinc/40/45/94/1072404594.db2.gz WORWGCJCRSVMJO-NEPJUHHUSA-N -1 0 585.680 5.823 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409337081 1072404600 /nfs/dbraw/zinc/40/46/00/1072404600.db2.gz WORWGCJCRSVMJO-VXGBXAGGSA-N -1 0 585.680 5.823 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409342516 1072448666 /nfs/dbraw/zinc/44/86/66/1072448666.db2.gz GSHFJCQZVKLVFW-NRFANRHFSA-N -1 0 542.061 5.064 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409337553 1072493937 /nfs/dbraw/zinc/49/39/37/1072493937.db2.gz YYBNREFBDJSQRH-UHFFFAOYSA-N -1 0 653.577 7.774 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cc(OC)ccc4OC)c(OC)c3)SC2=N)s1 ZINC000409337341 1072495030 /nfs/dbraw/zinc/49/50/30/1072495030.db2.gz UDDJCNZTXGNERD-CPRPDSFRSA-N -1 0 511.625 5.123 40 30 KKEBRM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409350584 1072543193 /nfs/dbraw/zinc/54/31/93/1072543193.db2.gz RYXZOWBHQHEUBL-JAIQZWGSSA-N -1 0 542.063 5.407 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409349141 1072553313 /nfs/dbraw/zinc/55/33/13/1072553313.db2.gz RNJWUVWOUJFBEO-NRFANRHFSA-N -1 0 576.506 5.717 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409357768 1072566109 /nfs/dbraw/zinc/56/61/09/1072566109.db2.gz KEHYIYIIUHZZFE-NRFANRHFSA-N -1 0 562.479 5.327 40 30 KKEBRM C=CCn1c(CSCc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000409359560 1072612357 /nfs/dbraw/zinc/61/23/57/1072612357.db2.gz KFUHJSXOMODHKX-UHFFFAOYSA-N -1 0 523.467 5.633 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409374718 1072634881 /nfs/dbraw/zinc/63/48/81/1072634881.db2.gz XLAIAGGVSCHAPU-WPWMEQJKSA-N -1 0 536.584 5.801 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409373376 1072642992 /nfs/dbraw/zinc/64/29/92/1072642992.db2.gz IIEADWVGDVTSCI-CIAFOILYSA-N -1 0 555.414 5.955 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409147854 1072645881 /nfs/dbraw/zinc/64/58/81/1072645881.db2.gz WPQADUPVHILPLZ-WGOQTCKBSA-N -1 0 605.087 6.116 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000409372178 1072647038 /nfs/dbraw/zinc/64/70/38/1072647038.db2.gz YFLBEWARSVDJHR-UXHICEINSA-N -1 0 637.407 6.217 40 30 KKEBRM Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386079 1072690020 /nfs/dbraw/zinc/69/00/20/1072690020.db2.gz OIPHYNCPPOJQFV-MSXFZWOLSA-N -1 0 504.393 6.088 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000409385782 1072692087 /nfs/dbraw/zinc/69/20/87/1072692087.db2.gz KGWOCTIZUVLWDD-UXHICEINSA-N -1 0 587.400 5.338 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)SC1=Nc1ccc(OC)cc1 ZINC000409384963 1072695737 /nfs/dbraw/zinc/69/57/37/1072695737.db2.gz HJXPNLWAYQLKQP-AIQYSFPCSA-N -1 0 565.717 5.992 40 30 KKEBRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409384602 1072698419 /nfs/dbraw/zinc/69/84/19/1072698419.db2.gz DHBCHMICUJEQQW-WOJBJXKFSA-N -1 0 637.407 6.217 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409382651 1072706130 /nfs/dbraw/zinc/70/61/30/1072706130.db2.gz WOCAULWNSQNIBT-MFKUBSTISA-N -1 0 595.548 7.093 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409380688 1072716015 /nfs/dbraw/zinc/71/60/15/1072716015.db2.gz BCLIOOHYYJUHDG-YZSQISJMSA-N -1 0 571.655 5.695 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409173403 1072727741 /nfs/dbraw/zinc/72/77/41/1072727741.db2.gz MGWYOINSENYUFN-FSJBWODESA-N -1 0 534.977 5.734 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409172564 1072733016 /nfs/dbraw/zinc/73/30/16/1072733016.db2.gz KUQUWQRUUKOSGZ-FSJBWODESA-N -1 0 549.402 5.834 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409172434 1072733646 /nfs/dbraw/zinc/73/36/46/1072733646.db2.gz HYUOLONKJDPHNZ-JFLMPSFJSA-N -1 0 520.566 6.225 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000409388856 1072736140 /nfs/dbraw/zinc/73/61/40/1072736140.db2.gz WTGMWXUNZKWNOY-OVVQPSECSA-N -1 0 540.685 6.095 40 30 KKEBRM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409171455 1072740898 /nfs/dbraw/zinc/74/08/98/1072740898.db2.gz BPQQSPYLWKEXNB-ZMOGYAJESA-N -1 0 593.455 6.233 40 30 KKEBRM COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)C(=O)[N-]C1=S ZINC000409167393 1072759860 /nfs/dbraw/zinc/75/98/60/1072759860.db2.gz JLMZQEFUVMOVIL-WPWMEQJKSA-N -1 0 562.651 5.385 40 30 KKEBRM O=[N+]([O-])c1ccc([O-])c(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1 ZINC000409186985 1072761408 /nfs/dbraw/zinc/76/14/08/1072761408.db2.gz KMHBAHSMWZBXGF-FOKLQQMPSA-N -1 0 506.150 6.155 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186540 1072761667 /nfs/dbraw/zinc/76/16/67/1072761667.db2.gz DMIDLNMELDRISH-NDENLUEZSA-N -1 0 529.401 6.171 40 30 KKEBRM O=C([O-])c1cccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)c1 ZINC000409405070 1072763329 /nfs/dbraw/zinc/76/33/29/1072763329.db2.gz SMOGWSUDTFMGTE-UHFFFAOYSA-N -1 0 727.296 6.432 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)c1 ZINC000409402094 1072778458 /nfs/dbraw/zinc/77/84/58/1072778458.db2.gz GGDBBDBDGADKQA-UHFFFAOYSA-N -1 0 633.296 6.748 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409401996 1072779410 /nfs/dbraw/zinc/77/94/10/1072779410.db2.gz FWKDPZBIONNRNI-UHFFFAOYSA-N -1 0 539.975 5.885 40 30 KKEBRM CCOc1ccc([NH+]=C2C=CC(=C(c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)C=C2)cc1 ZINC000409415723 1072785376 /nfs/dbraw/zinc/78/53/76/1072785376.db2.gz YQOCWYQWOUDFJM-UHFFFAOYSA-N -1 0 832.057 9.949 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1Br ZINC000409409121 1072812671 /nfs/dbraw/zinc/81/26/71/1072812671.db2.gz SUPRVJHFJZCTKY-XKZIYDEJSA-N -1 0 598.291 5.989 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409189739 1072873841 /nfs/dbraw/zinc/87/38/41/1072873841.db2.gz IAJCRBDHXHDQMU-WPWMEQJKSA-N -1 0 619.114 6.506 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409189064 1072878862 /nfs/dbraw/zinc/87/88/62/1072878862.db2.gz CINWMTIVIBYMGW-MTDXEUNCSA-N -1 0 616.686 6.381 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409188442 1072882708 /nfs/dbraw/zinc/88/27/08/1072882708.db2.gz HOJQJZCHANUGSX-AJBULDERSA-N -1 0 634.729 7.005 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1 ZINC000409200696 1072920552 /nfs/dbraw/zinc/92/05/52/1072920552.db2.gz IOBQFHNGVWHKNR-BRJLIKDPSA-N -1 0 503.190 6.548 40 30 KKEBRM Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409199272 1072926494 /nfs/dbraw/zinc/92/64/94/1072926494.db2.gz BEMWGTJOPNKNKX-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531094018 1072927136 /nfs/dbraw/zinc/92/71/36/1072927136.db2.gz OCFFLCBZHJLVCG-CPDSRJINSA-N -1 0 568.855 6.269 40 30 KKEBRM Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409198901 1072927988 /nfs/dbraw/zinc/92/79/88/1072927988.db2.gz AEVIUHRGKIPMKC-BRJLIKDPSA-N -1 0 503.190 6.548 40 30 KKEBRM C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531122273 1072935912 /nfs/dbraw/zinc/93/59/12/1072935912.db2.gz ARCQCOIHQIAUOM-HQDYHJHZSA-N -1 0 618.528 6.743 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531124400 1072937728 /nfs/dbraw/zinc/93/77/28/1072937728.db2.gz KPLJOAXNKQANJH-AMVVHIIESA-N -1 0 629.305 6.042 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409208265 1072938385 /nfs/dbraw/zinc/93/83/85/1072938385.db2.gz BQPHZKZMCKQBMX-KZINRLMESA-N -1 0 547.471 5.824 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-] ZINC001531146987 1072944435 /nfs/dbraw/zinc/94/44/35/1072944435.db2.gz RVDLFDSDAXYBHH-UGGZHSSNSA-N -1 0 541.229 5.497 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001531161810 1072949795 /nfs/dbraw/zinc/94/97/95/1072949795.db2.gz BDVCMZZXNFOUDE-FDVSRXAVSA-N -1 0 534.410 5.616 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531169802 1072953631 /nfs/dbraw/zinc/95/36/31/1072953631.db2.gz OUNJBBBOAMRYCG-NUJZUDFISA-N -1 0 579.407 5.524 40 30 KKEBRM COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409213503 1072955928 /nfs/dbraw/zinc/95/59/28/1072955928.db2.gz PIVLTITZWOZSSO-RPPGKUMJSA-N -1 0 535.765 6.289 40 30 KKEBRM Cc1cccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)c1C ZINC000409210823 1072964123 /nfs/dbraw/zinc/96/41/23/1072964123.db2.gz LBDOZTDYRNRKKF-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531208209 1072967458 /nfs/dbraw/zinc/96/74/58/1072967458.db2.gz YZGDXGZLWVEHGV-AQLQTECXSA-N -1 0 598.881 6.278 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531226798 1072975392 /nfs/dbraw/zinc/97/53/92/1072975392.db2.gz DDFGMOJBKQJBKB-WGNGTQIVSA-N -1 0 613.306 6.594 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531227091 1072976726 /nfs/dbraw/zinc/97/67/26/1072976726.db2.gz OHPADGFFKIHKDK-ZFQVWYPFSA-N -1 0 612.908 6.884 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001531229761 1072978412 /nfs/dbraw/zinc/97/84/12/1072978412.db2.gz DYBMUSONNKDMBM-PTFKFJSFSA-N -1 0 506.784 5.060 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(Br)cc(Br)c([O-])c1Br ZINC001531234255 1072987297 /nfs/dbraw/zinc/98/72/97/1072987297.db2.gz RTRQPXSCZNRCRP-KONOAQLTSA-N -1 0 636.964 6.548 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC001531235885 1072989175 /nfs/dbraw/zinc/98/91/75/1072989175.db2.gz FKYHTQYQVJMUSS-MLZXSMIQSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC001531235888 1072989192 /nfs/dbraw/zinc/98/91/92/1072989192.db2.gz FKYHTQYQVJMUSS-SSAQJZBFSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531238355 1072992284 /nfs/dbraw/zinc/99/22/84/1072992284.db2.gz IQGNBOPPJUQGMM-BUMKNRDJSA-N -1 0 598.881 6.494 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531238802 1072994905 /nfs/dbraw/zinc/99/49/05/1072994905.db2.gz XNTMUPBLOZYMRB-HMWNXKSVSA-N -1 0 550.837 5.459 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531238808 1072994906 /nfs/dbraw/zinc/99/49/06/1072994906.db2.gz XNTMUPBLOZYMRB-LMWSZNASSA-N -1 0 550.837 5.459 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531238950 1072995311 /nfs/dbraw/zinc/99/53/11/1072995311.db2.gz ZZGNCFLQGFSIKK-VVEOGCPPSA-N -1 0 678.175 6.796 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409221957 1072996601 /nfs/dbraw/zinc/99/66/01/1072996601.db2.gz ACWZLKMHQJYHOG-CSBWODFHSA-N -1 0 614.461 6.201 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531242504 1072996633 /nfs/dbraw/zinc/99/66/33/1072996633.db2.gz NKWDVWANAHKECO-WGNGTQIVSA-N -1 0 568.855 6.485 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC001531245205 1073002674 /nfs/dbraw/zinc/00/26/74/1073002674.db2.gz VHGXLERTXIRHLM-AYLNWMBDSA-N -1 0 521.415 5.660 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531245268 1073003559 /nfs/dbraw/zinc/00/35/59/1073003559.db2.gz WBHNNSVIVCNKSB-BUMKNRDJSA-N -1 0 690.332 6.445 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531255002 1073009206 /nfs/dbraw/zinc/00/92/06/1073009206.db2.gz SVDGKZGSYMKVKK-SFXOIRTMSA-N -1 0 595.288 5.568 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC001531255548 1073010265 /nfs/dbraw/zinc/01/02/65/1073010265.db2.gz BBVTUJPJRXYAJO-XOUCVQQTSA-N -1 0 535.442 5.969 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC001531255691 1073010509 /nfs/dbraw/zinc/01/05/09/1073010509.db2.gz GPXRJMWYHZUPLT-XWNUSCQOSA-N -1 0 660.157 5.769 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531255859 1073012164 /nfs/dbraw/zinc/01/21/64/1073012164.db2.gz SVSQGVVJYUMNFP-KPGMTVGESA-N -1 0 704.359 6.664 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1[O-] ZINC001531263068 1073019575 /nfs/dbraw/zinc/01/95/75/1073019575.db2.gz JAQNHBZSZDQWCL-ABTNGYCASA-N -1 0 513.617 5.676 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC001531263408 1073021007 /nfs/dbraw/zinc/02/10/07/1073021007.db2.gz RQUXKCWCACAEDR-ZKJHFGPLSA-N -1 0 595.288 5.397 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCC(=O)[O-] ZINC001531263461 1073021048 /nfs/dbraw/zinc/02/10/48/1073021048.db2.gz SWNPZYIZGORPDJ-LGXUHMPSSA-N -1 0 581.261 5.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2cccc(C(=O)[O-])c2C)o1 ZINC001531269279 1073031562 /nfs/dbraw/zinc/03/15/62/1073031562.db2.gz VPOSITPFBIVQBF-MZJWZYIUSA-N -1 0 508.372 5.650 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC001531270073 1073034435 /nfs/dbraw/zinc/03/44/35/1073034435.db2.gz VGRFIUJOEMJFCE-AMVVHIIESA-N -1 0 629.305 6.042 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409236971 1073035174 /nfs/dbraw/zinc/03/51/74/1073035174.db2.gz HJFSOJSWSJUDCA-JELSIQHMSA-N -1 0 555.027 6.779 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC001531275641 1073039007 /nfs/dbraw/zinc/03/90/07/1073039007.db2.gz YLUVCTQACGWSGP-WKULSOCRSA-N -1 0 535.442 5.798 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)S1 ZINC000409235209 1073045957 /nfs/dbraw/zinc/04/59/57/1073045957.db2.gz YXJITODYPZBICX-WSDLNYQXSA-N -1 0 557.853 6.580 40 30 KKEBRM CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409234644 1073049194 /nfs/dbraw/zinc/04/91/94/1073049194.db2.gz OIHKECLNSXODLV-CVKSISIWSA-N -1 0 504.615 5.516 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001531285383 1073053964 /nfs/dbraw/zinc/05/39/64/1073053964.db2.gz UOYWDDNKKLXEPD-RWPZCVJISA-N -1 0 520.383 5.271 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC001531289446 1073055593 /nfs/dbraw/zinc/05/55/93/1073055593.db2.gz HSSUFNZVKCCSIG-OEZLLYBRSA-N -1 0 556.457 5.363 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC001531289447 1073055697 /nfs/dbraw/zinc/05/56/97/1073055697.db2.gz HSSUFNZVKCCSIG-VBICMNQQSA-N -1 0 556.457 5.363 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531291361 1073060355 /nfs/dbraw/zinc/06/03/55/1073060355.db2.gz MBKBGVWMFSXXNQ-YSKBPFQOSA-N -1 0 629.733 6.050 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531296526 1073064857 /nfs/dbraw/zinc/06/48/57/1073064857.db2.gz AYJBJQOTUOZFOK-AOAIAPAPSA-N -1 0 786.202 7.041 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531296538 1073065221 /nfs/dbraw/zinc/06/52/21/1073065221.db2.gz CRLGOFXTSKIWOI-IBBHUPRXSA-N -1 0 598.881 6.323 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC001531296741 1073067615 /nfs/dbraw/zinc/06/76/15/1073067615.db2.gz QUGUVSGSNCCVKW-MZJWZYIUSA-N -1 0 507.388 5.099 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531297512 1073072231 /nfs/dbraw/zinc/07/22/31/1073072231.db2.gz BWSMGRIKLMNFOM-BWVZCWHBSA-N -1 0 618.528 6.959 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC001531297558 1073072742 /nfs/dbraw/zinc/07/27/42/1073072742.db2.gz HNEPPNPEJPZMOG-KPGMTVGESA-N -1 0 657.359 6.822 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531312242 1073089500 /nfs/dbraw/zinc/08/95/00/1073089500.db2.gz NBRKJLBGJWZEJO-ZJIVOUCISA-N -1 0 579.407 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531312356 1073090216 /nfs/dbraw/zinc/09/02/16/1073090216.db2.gz VJIHZFRAEDFGBL-UVPDUMAMSA-N -1 0 564.436 5.841 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1OCC(=O)[O-] ZINC000409243710 1073092093 /nfs/dbraw/zinc/09/20/93/1073092093.db2.gz XTLRSDZFXAIGOP-RQZCQDPDSA-N -1 0 572.808 5.007 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC001531317765 1073092837 /nfs/dbraw/zinc/09/28/37/1073092837.db2.gz SFDJUXSSERPQIT-LSFURLLWSA-N -1 0 544.041 5.224 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409242142 1073097809 /nfs/dbraw/zinc/09/78/09/1073097809.db2.gz MQYCYKAPVUVZNG-WLZRAQTASA-N -1 0 585.451 6.498 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409241784 1073100328 /nfs/dbraw/zinc/10/03/28/1073100328.db2.gz YOYAXZFUDFGPDD-RWPZCVJISA-N -1 0 600.622 6.395 40 30 KKEBRM Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)o2)c(Br)c1 ZINC000409241653 1073101252 /nfs/dbraw/zinc/10/12/52/1073101252.db2.gz LCGUWUONLNJUOE-FDHMRPASSA-N -1 0 573.468 7.520 40 30 KKEBRM COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000409240444 1073108337 /nfs/dbraw/zinc/10/83/37/1073108337.db2.gz PSABXRBYMMALOP-NNEUGSMJSA-N -1 0 527.646 6.188 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC001531326960 1073108674 /nfs/dbraw/zinc/10/86/74/1073108674.db2.gz UHNLWHLOGCYETA-XOUCVQQTSA-N -1 0 535.442 5.969 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCC(=O)[O-] ZINC001531329370 1073112742 /nfs/dbraw/zinc/11/27/42/1073112742.db2.gz SJONZDXIQIVCHK-RCMPGLAHSA-N -1 0 581.261 5.179 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531336895 1073120179 /nfs/dbraw/zinc/12/01/79/1073120179.db2.gz DVUOSBQPPUZXJK-ZNIRGWDNSA-N -1 0 660.306 6.437 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC001531340493 1073127707 /nfs/dbraw/zinc/12/77/07/1073127707.db2.gz DADHXGUAXLYWGT-SFXOIRTMSA-N -1 0 595.288 5.568 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531382695 1073146317 /nfs/dbraw/zinc/14/63/17/1073146317.db2.gz HHFZSJULIAATES-BIZUNTBRSA-N -1 0 519.557 5.622 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531383038 1073148999 /nfs/dbraw/zinc/14/89/99/1073148999.db2.gz VKRSUNSLFKOFCO-VTNSRFBWSA-N -1 0 584.426 5.994 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)c1 ZINC001531383348 1073151420 /nfs/dbraw/zinc/15/14/20/1073151420.db2.gz GGDBBDBDGADKQA-KPGMTVGESA-N -1 0 633.296 6.748 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531384061 1073155647 /nfs/dbraw/zinc/15/56/47/1073155647.db2.gz UEQBRHARKQMPTI-XICOUIIWSA-N -1 0 559.622 6.350 40 30 KKEBRM Cc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC001531384443 1073159316 /nfs/dbraw/zinc/15/93/16/1073159316.db2.gz HFFMOIMQIXYVJP-HNSNBQBZSA-N -1 0 512.569 5.955 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531384919 1073163027 /nfs/dbraw/zinc/16/30/27/1073163027.db2.gz NOJLZLYNUVDYCG-CSBVJMGMSA-N -1 0 556.800 5.222 40 30 KKEBRM Cc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001531385633 1073168612 /nfs/dbraw/zinc/16/86/12/1073168612.db2.gz WYDVIQJVFWHQKC-QLQYKETESA-N -1 0 568.633 6.630 40 30 KKEBRM O=C([O-])c1cccc(COc2c(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc(Br)cc2[N+](=O)[O-])c1 ZINC001531385693 1073169516 /nfs/dbraw/zinc/16/95/16/1073169516.db2.gz RLPUYNZPIBZEEJ-WCMJOSRZSA-N -1 0 599.397 5.894 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC001531385706 1073169964 /nfs/dbraw/zinc/16/99/64/1073169964.db2.gz YAEJTIMWFDRAKJ-QXUDOOCXSA-N -1 0 525.564 6.376 40 30 KKEBRM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139071 1073184154 /nfs/dbraw/zinc/18/41/54/1073184154.db2.gz DKBSTBSSKJPASL-BBSPHRLSSA-N -1 0 719.216 5.912 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409275920 1073296200 /nfs/dbraw/zinc/29/62/00/1073296200.db2.gz MYQORJUWPFYSFN-UHFFFAOYSA-N -1 0 590.548 5.886 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409274702 1073306769 /nfs/dbraw/zinc/30/67/69/1073306769.db2.gz FVJDLBZZHLGCNV-GFCCVEGCSA-N -1 0 674.184 6.114 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c(I)c2)cc1C(C)C ZINC000409274433 1073310457 /nfs/dbraw/zinc/31/04/57/1073310457.db2.gz CZDJBRQOUHVKPC-SFHVURJKSA-N -1 0 625.463 5.843 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409274289 1073311969 /nfs/dbraw/zinc/31/19/69/1073311969.db2.gz CMQVTMOJWFJWFQ-UHFFFAOYSA-N -1 0 594.462 5.633 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409276513 1073330025 /nfs/dbraw/zinc/33/00/25/1073330025.db2.gz SBVLTQLPUYNSAW-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409276383 1073331640 /nfs/dbraw/zinc/33/16/40/1073331640.db2.gz QJMHFROEUCSCPY-UHFFFAOYSA-N -1 0 648.251 5.240 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br)C(=O)[O-] ZINC000409275672 1073333345 /nfs/dbraw/zinc/33/33/45/1073333345.db2.gz LDZANTVKEQCURV-ZDUSSCGKSA-N -1 0 639.222 6.341 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409286673 1073342914 /nfs/dbraw/zinc/34/29/14/1073342914.db2.gz WVASRMDHVWXJES-UHFFFAOYSA-N -1 0 705.892 7.236 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000409286534 1073344500 /nfs/dbraw/zinc/34/45/00/1073344500.db2.gz ZAENGYMWUKIOEQ-UHFFFAOYSA-N -1 0 539.729 5.722 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409285239 1073358674 /nfs/dbraw/zinc/35/86/74/1073358674.db2.gz WVTRBHYWDDDUFB-UHFFFAOYSA-N -1 0 613.852 6.178 40 30 KKEBRM C[C@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000409285123 1073360918 /nfs/dbraw/zinc/36/09/18/1073360918.db2.gz MVUQJVITIXUTQP-SFHVURJKSA-N -1 0 503.514 5.697 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409285182 1073361519 /nfs/dbraw/zinc/36/15/19/1073361519.db2.gz WNIDWKBLXOCUGF-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409284941 1073362169 /nfs/dbraw/zinc/36/21/69/1073362169.db2.gz SHSSKFVXJSRIGA-INIZCTEOSA-N -1 0 542.430 5.144 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000409284896 1073364355 /nfs/dbraw/zinc/36/43/55/1073364355.db2.gz MHUQLMBTSSXCJC-KRWDZBQOSA-N -1 0 524.964 6.254 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc2n1[C@H](C)C(=O)[O-] ZINC000409284900 1073364485 /nfs/dbraw/zinc/36/44/85/1073364485.db2.gz MHUQLMBTSSXCJC-QGZVFWFLSA-N -1 0 524.964 6.254 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409284656 1073365002 /nfs/dbraw/zinc/36/50/02/1073365002.db2.gz UGSKVROWZHLYKQ-UHFFFAOYSA-N -1 0 640.136 7.715 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409284744 1073366081 /nfs/dbraw/zinc/36/60/81/1073366081.db2.gz VWPJFSPQTDAVSD-UHFFFAOYSA-N -1 0 731.319 7.775 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1 ZINC000409284182 1073369474 /nfs/dbraw/zinc/36/94/74/1073369474.db2.gz UEAIWTBWRZPZRG-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409282617 1073388076 /nfs/dbraw/zinc/38/80/76/1073388076.db2.gz PBKOEASRSAPTPD-UHFFFAOYSA-N -1 0 571.771 5.188 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409282493 1073389830 /nfs/dbraw/zinc/38/98/30/1073389830.db2.gz OVHOYOAOUFUMDM-HNNXBMFYSA-N -1 0 562.376 5.315 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409282308 1073391029 /nfs/dbraw/zinc/39/10/29/1073391029.db2.gz NDMGIHLLSKQSNM-UHFFFAOYSA-N -1 0 529.394 5.305 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(Br)c3OCC(=O)[O-])cc21 ZINC000409282391 1073392047 /nfs/dbraw/zinc/39/20/47/1073392047.db2.gz GPIDSIQYGBXDSN-UHFFFAOYSA-N -1 0 582.794 5.580 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409282182 1073393036 /nfs/dbraw/zinc/39/30/36/1073393036.db2.gz MSKAEXZPCBZCKS-OAHLLOKOSA-N -1 0 566.397 6.249 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409282170 1073393152 /nfs/dbraw/zinc/39/31/52/1073393152.db2.gz OAHHGAPQXCXYFT-UHFFFAOYSA-N -1 0 641.272 6.079 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409281710 1073397579 /nfs/dbraw/zinc/39/75/79/1073397579.db2.gz LMGDJPFHAJYGDK-SFHVURJKSA-N -1 0 544.564 5.146 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409281815 1073398671 /nfs/dbraw/zinc/39/86/71/1073398671.db2.gz LZRRIMLUCRXPBG-UHFFFAOYSA-N -1 0 607.972 6.904 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409281597 1073399421 /nfs/dbraw/zinc/39/94/21/1073399421.db2.gz NAXKXQBXRKZWLY-LJQANCHMSA-N -1 0 592.490 6.391 40 30 KKEBRM CCn1c(S/C(=C\c2ccccc2OCc2ccc(C#N)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634172 195479455 /nfs/dbraw/zinc/47/94/55/195479455.db2.gz RRMDYKGTTZVYPE-YSMPRRRNSA-N -1 0 542.617 5.651 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408853012 195494456 /nfs/dbraw/zinc/49/44/56/195494456.db2.gz PAZWGCSENDEWAW-YABUFAANSA-N -1 0 641.587 8.660 40 30 KKEBRM N#Cc1nc(C=C([O-])c2ccc(Cl)c(Cl)c2)c(CC(=O)c2ccc(Cl)c(Cl)c2)nc1C#N ZINC000001588978 551685471 /nfs/dbraw/zinc/68/54/71/551685471.db2.gz ZBMSMEIBBQKSPJ-UHFFFAOYSA-N -1 0 504.160 5.684 40 30 KKEBRM CC(C)=CCc1ccc2[nH]cc(C3=C([O-])C(=O)C(c4c[nH]c5ccc(CC=C(C)C)cc54)C(=O)C3=O)c2c1 ZINC000001654467 551688040 /nfs/dbraw/zinc/68/80/40/551688040.db2.gz ZXRULNXZJSCTQQ-UHFFFAOYSA-N -1 0 506.602 7.057 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000002589650 552132093 /nfs/dbraw/zinc/13/20/93/552132093.db2.gz MUGGXVRZRCLBQV-UDWIEESQSA-N -1 0 563.477 5.848 40 30 KKEBRM COC(=O)c1ccc(COc2ccccc2C=Nn2c(Cc3cccc4ccccc43)n[n-]c2=S)cc1 ZINC000002660238 552150287 /nfs/dbraw/zinc/15/02/87/552150287.db2.gz GXRBPHACHVYVDZ-UXHLAJHPSA-N -1 0 508.603 5.932 40 30 KKEBRM Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4[O-])ccc3o2)c1 ZINC000003033631 552268473 /nfs/dbraw/zinc/26/84/73/552268473.db2.gz MIBIIPYXPPSKSL-OPEKNORGSA-N -1 0 500.190 7.093 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000004777869 552481618 /nfs/dbraw/zinc/48/16/18/552481618.db2.gz FTQDJVZNPJRVPG-QHGABYHVSA-N -1 0 512.731 6.983 40 30 KKEBRM O=C([O-])c1cc(Nc2ccc(C(c3ccccc3)=C3C=CC(=[NH+]c4ccc(Cl)c(C(=O)[O-])c4)C=C3)cc2)ccc1Cl ZINC000005015087 552491946 /nfs/dbraw/zinc/49/19/46/552491946.db2.gz JPOAXWSMFOLMQH-UHFFFAOYSA-N -1 0 581.455 8.834 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 ZINC000006445435 552587935 /nfs/dbraw/zinc/58/79/35/552587935.db2.gz JRNTWMSCCRQBFS-AUEPDCJTSA-N -1 0 567.124 5.555 40 30 KKEBRM O=[N+]([O-])C(N=Nc1ccc2ccccc2c1Br)=N[N-]c1ccc2ccccc2c1Br ZINC000008627845 553104714 /nfs/dbraw/zinc/10/47/14/553104714.db2.gz GJLRXYHFORZDMP-XMHXSSCDSA-N -1 0 527.176 7.262 40 30 KKEBRM Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000008935066 553193187 /nfs/dbraw/zinc/19/31/87/553193187.db2.gz CGHIQFCIYADPMI-ZVBGSRNCSA-N -1 0 507.142 5.037 40 30 KKEBRM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccco2)cc1OC ZINC000010343835 553335164 /nfs/dbraw/zinc/33/51/64/553335164.db2.gz HHQXDVRXHLJUKE-RBSBEOHCSA-N -1 0 516.550 5.062 40 30 KKEBRM O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1)c1ccc(Cl)cc1Cl ZINC000016428514 553563180 /nfs/dbraw/zinc/56/31/80/553563180.db2.gz AUWVESJFRHCMLQ-YSURURNPSA-N -1 0 509.143 6.373 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1[O-] ZINC000016450157 553565147 /nfs/dbraw/zinc/56/51/47/553565147.db2.gz LCHKMFTVWAQPOK-FJEPWZHXSA-N -1 0 517.372 7.492 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1 ZINC000017576648 553598192 /nfs/dbraw/zinc/59/81/92/553598192.db2.gz CZKRYECEOUCFGM-RDRPBHBLSA-N -1 0 592.703 5.419 40 30 KKEBRM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@H]21 ZINC000070686718 553605640 /nfs/dbraw/zinc/60/56/40/553605640.db2.gz SEOJRLKLAQEBSW-ZXCNFTQGSA-N -1 0 631.898 7.386 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070698573 553614475 /nfs/dbraw/zinc/61/44/75/553614475.db2.gz OHKMMRFDDARHMY-GHLXNUMYSA-N -1 0 526.718 5.534 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000022829618 553754375 /nfs/dbraw/zinc/75/43/75/553754375.db2.gz DCOWHQMIPFAPCA-BKWZTHLVSA-N -1 0 505.574 7.964 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000032193944 553866916 /nfs/dbraw/zinc/86/69/16/553866916.db2.gz XZQMIPVTDDAICD-CIKNCDAESA-N -1 0 502.592 5.661 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000097960214 553869228 /nfs/dbraw/zinc/86/92/28/553869228.db2.gz HLOGLXQAIRJQCM-XXSBSZHUSA-N -1 0 595.515 7.057 40 30 KKEBRM C=CCc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c(OC)c1 ZINC000097965022 553902548 /nfs/dbraw/zinc/90/25/48/553902548.db2.gz VNNAYYWEUPWXRJ-BWAHOGKJSA-N -1 0 539.563 6.103 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc(/N=C/c3cn(-c4ccccc4)nc3-c3cccnc3)ccc2Cl)cc1 ZINC000097982389 554001827 /nfs/dbraw/zinc/00/18/27/554001827.db2.gz ZRCRRNYXPHILLZ-FDAWAROLSA-N -1 0 544.036 6.148 40 30 KKEBRM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1Cl ZINC000097982395 554001889 /nfs/dbraw/zinc/00/18/89/554001889.db2.gz XLEDQRWJDALBSB-KBVAKVRCSA-N -1 0 548.455 6.793 40 30 KKEBRM Nc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1N=Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl ZINC000097982632 554003941 /nfs/dbraw/zinc/00/39/41/554003941.db2.gz LFHTVULNYPPWNZ-MIXAMLLLSA-N -1 0 606.706 5.841 40 30 KKEBRM O=C([O-])CCCCCN1C(=O)C(=Nc2ccccc2)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000098005132 554057116 /nfs/dbraw/zinc/05/71/16/554057116.db2.gz RFYKDHLXHAHRAN-HHHXNRCGSA-N -1 0 626.345 6.989 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000035656300 554061982 /nfs/dbraw/zinc/06/19/82/554061982.db2.gz XRLTUWZKBBGGTK-BEJYLZJOSA-N -1 0 523.010 6.250 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCC ZINC000035656999 554062376 /nfs/dbraw/zinc/06/23/76/554062376.db2.gz PHYHTFKNQODFRO-FRYIGISESA-N -1 0 505.390 5.179 40 30 KKEBRM O=C([O-])c1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1 ZINC000100039648 554191956 /nfs/dbraw/zinc/19/19/56/554191956.db2.gz PLIASXXIDVMAQX-WVLDPRMZSA-N -1 0 577.434 6.101 40 30 KKEBRM C[C@H](Sc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)C(=O)Nc1nccs1 ZINC000100097221 554218658 /nfs/dbraw/zinc/21/86/58/554218658.db2.gz GEIGNFWNSMSGEA-OEXWIMQBSA-N -1 0 509.465 6.635 40 30 KKEBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1c(C#N)sc2c1CCCC2 ZINC000100275136 554271669 /nfs/dbraw/zinc/27/16/69/554271669.db2.gz UOUQTRQILUPWCR-ZDLGFXPLSA-N -1 0 539.444 5.879 40 30 KKEBRM CC[C@H](C)c1ccccc1/N=C/c1cc(I)cc(I)c1[O-] ZINC000038179991 554273973 /nfs/dbraw/zinc/27/39/73/554273973.db2.gz QTQQIRAPVZGCPW-KKBVUKDESA-N -1 0 505.137 5.866 40 30 KKEBRM COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)c1 ZINC000100331156 554313742 /nfs/dbraw/zinc/31/37/42/554313742.db2.gz FKXBLADGWFPUNU-LUOAPIJWSA-N -1 0 548.473 6.807 40 30 KKEBRM CCOc1cccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(OCC)c3)C(=O)[N-]C2=S)c1 ZINC000053226061 554329976 /nfs/dbraw/zinc/32/99/76/554329976.db2.gz KIGOPDPFKBWGRT-ZVHZXABRSA-N -1 0 527.602 5.606 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000058993312 554371580 /nfs/dbraw/zinc/37/15/80/554371580.db2.gz CKPHXPMSALWYHS-CIKNCDAESA-N -1 0 502.592 5.974 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(F)c1 ZINC000059105203 554380363 /nfs/dbraw/zinc/38/03/63/554380363.db2.gz OTQSOHSAXNCPLX-LPYMAVHISA-N -1 0 500.482 5.369 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000059135033 554381076 /nfs/dbraw/zinc/38/10/76/554381076.db2.gz CILMUJLRWVHZLJ-LFVJCYFKSA-N -1 0 500.526 5.403 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059135532 554381525 /nfs/dbraw/zinc/38/15/25/554381525.db2.gz YFEYVRAWICYVQI-HZHRSRAPSA-N -1 0 501.470 5.548 40 30 KKEBRM COc1ccc(C(=O)/C=C/C(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c([O-])c1 ZINC000100415602 554381736 /nfs/dbraw/zinc/38/17/36/554381736.db2.gz SSUAVZSGDAIOQV-DHTPLPAHSA-N -1 0 550.652 5.559 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000059136383 554382500 /nfs/dbraw/zinc/38/25/00/554382500.db2.gz BALFZKQSUZJUQP-KGENOOAVSA-N -1 0 520.557 5.953 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000059136386 554382694 /nfs/dbraw/zinc/38/26/94/554382694.db2.gz PNINVENLPCLWMI-PXLXIMEGSA-N -1 0 516.594 6.122 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(Sc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)sc2c1 ZINC000100460273 554397513 /nfs/dbraw/zinc/39/75/13/554397513.db2.gz PSOAZIUIGBDENZ-KPGMTVGESA-N -1 0 616.559 8.883 40 30 KKEBRM CCCCCCCCCCCCOC[C@H](CO[P@@](N)(=O)[O-])OCCCCCCCCCCCC ZINC000100503704 554407003 /nfs/dbraw/zinc/40/70/03/554407003.db2.gz RXCYVPKPIOYKKK-HHHXNRCGSA-N -1 0 507.737 8.306 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc(Br)cc1 ZINC000100561518 554418027 /nfs/dbraw/zinc/41/80/27/554418027.db2.gz NRYXBFDFSICZOI-FQEVSTJZSA-N -1 0 520.276 6.390 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059678295 554424271 /nfs/dbraw/zinc/42/42/71/554424271.db2.gz VDCBFVKVTIRDPH-AWMZFSGVSA-N -1 0 514.603 5.691 40 30 KKEBRM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000100936360 554530433 /nfs/dbraw/zinc/53/04/33/554530433.db2.gz YLIKMAGBDQWYFS-MHDJOFBISA-N -1 0 553.924 7.566 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000100939557 554531896 /nfs/dbraw/zinc/53/18/96/554531896.db2.gz OPLOQZMLAHXONI-FKULMYBFSA-N -1 0 571.424 6.108 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100939744 554531952 /nfs/dbraw/zinc/53/19/52/554531952.db2.gz QXPWRPPHXKAVJA-QLTARICISA-N -1 0 553.980 5.768 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000100939933 554532241 /nfs/dbraw/zinc/53/22/41/554532241.db2.gz OWSITWXHUQUGRY-CTMKFROTSA-N -1 0 585.451 6.498 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c1[O-] ZINC000100958270 554541156 /nfs/dbraw/zinc/54/11/56/554541156.db2.gz YWADPSDQTYSPGX-KVAAJVFYSA-N -1 0 612.867 9.019 40 30 KKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c1[O-] ZINC000100958115 554541215 /nfs/dbraw/zinc/54/12/15/554541215.db2.gz VDFMEASLQVYMAR-CCVNUDIWSA-N -1 0 532.350 7.174 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CCCC)C(=O)[O-])C2=O)cc1OCC ZINC000101014708 554558980 /nfs/dbraw/zinc/55/89/80/554558980.db2.gz ARRFSWDGPSTGFW-SXKRPYPPSA-N -1 0 507.718 6.669 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101014782 554559047 /nfs/dbraw/zinc/55/90/47/554559047.db2.gz RFLGZLDBKCQXAN-JJIBRWJFSA-N -1 0 513.681 6.929 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1OCC ZINC000101014758 554559094 /nfs/dbraw/zinc/55/90/94/554559094.db2.gz ASNOHRBDNJVLRR-FLXPQLCOSA-N -1 0 527.708 6.852 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000101015034 554559352 /nfs/dbraw/zinc/55/93/52/554559352.db2.gz GMEKWXUKQFTYSI-PBUSVVMWSA-N -1 0 527.708 6.850 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OC ZINC000101014998 554559369 /nfs/dbraw/zinc/55/93/69/554559369.db2.gz KTSKLQDXWASIMP-SRUNALEYSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1OCC ZINC000101015221 554559719 /nfs/dbraw/zinc/55/97/19/554559719.db2.gz DIZLDFCKWGEAMY-RAORETRNSA-N -1 0 521.745 6.914 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OCC ZINC000101015252 554559734 /nfs/dbraw/zinc/55/97/34/554559734.db2.gz VLQVZKAZTABFKA-SYEJRJGWSA-N -1 0 555.762 7.110 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101015296 554560011 /nfs/dbraw/zinc/56/00/11/554560011.db2.gz OIGYEIIICGKMNH-ZFOBRQHDSA-N -1 0 541.735 7.626 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OCC ZINC000101015294 554560071 /nfs/dbraw/zinc/56/00/71/554560071.db2.gz XRMQOLMYKJEUDF-LEBHPONQSA-N -1 0 543.707 7.023 40 30 KKEBRM O=C(Oc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1OC(=O)c1ccccc1)c1ccccc1 ZINC000101017875 554561094 /nfs/dbraw/zinc/56/10/94/554561094.db2.gz OQHDROHIWWKYMD-FDAWAROLSA-N -1 0 528.528 5.391 40 30 KKEBRM COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)[N-]C5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000101262641 554697628 /nfs/dbraw/zinc/69/76/28/554697628.db2.gz NAXBQOBKRFCYKY-NVGOCUESSA-N -1 0 640.887 7.602 40 30 KKEBRM CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2Cl)CC1 ZINC000102426843 554926017 /nfs/dbraw/zinc/92/60/17/554926017.db2.gz BBEMJYKSXVHZHH-DHRITJCHSA-N -1 0 543.687 5.770 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 ZINC000102983321 555189239 /nfs/dbraw/zinc/18/92/39/555189239.db2.gz MEFMCRBOJRVSJO-MZJWZYIUSA-N -1 0 558.979 5.137 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000102983315 555189244 /nfs/dbraw/zinc/18/92/44/555189244.db2.gz WDSBAECZJTYJMA-NDZAJKAJSA-N -1 0 568.615 5.703 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c[nH]c3ccc(Br)cc23)cc1 ZINC000102983337 555189246 /nfs/dbraw/zinc/18/92/46/555189246.db2.gz KHCYSFURJRSHCJ-DHRITJCHSA-N -1 0 544.387 5.094 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000102983885 555189640 /nfs/dbraw/zinc/18/96/40/555189640.db2.gz OUORINNMKWZZJJ-NDZAJKAJSA-N -1 0 568.615 5.703 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000102983875 555189668 /nfs/dbraw/zinc/18/96/68/555189668.db2.gz QASYGLKIOGTULW-XODNFHPESA-N -1 0 572.493 5.443 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1sc(N2CCCCC2)nc1-c1cccs1 ZINC000102984048 555189872 /nfs/dbraw/zinc/18/98/72/555189872.db2.gz MGTBXAVZUKJWQK-WPWMEQJKSA-N -1 0 598.732 6.026 40 30 KKEBRM O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3ccccc3)c2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000102984255 555190181 /nfs/dbraw/zinc/19/01/81/555190181.db2.gz HUEYCLVPTGRCLO-OGLMXYFKSA-N -1 0 536.997 6.074 40 30 KKEBRM CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)cc1 ZINC000103746173 555466643 /nfs/dbraw/zinc/46/66/43/555466643.db2.gz NRPCHWOZIXQOFD-HPNXWYHWSA-N -1 0 613.720 11.815 40 30 KKEBRM Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)c(C)c1 ZINC000103746647 555466950 /nfs/dbraw/zinc/46/69/50/555466950.db2.gz FASXUCSRFFKBQG-IPBVOBEMSA-N -1 0 619.404 7.934 40 30 KKEBRM CCCCCCCCCCCCc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)cc1 ZINC000103771309 555475292 /nfs/dbraw/zinc/47/52/92/555475292.db2.gz AKRQKPUVOZLPDB-UHFFFAOYSA-N -1 0 588.839 10.003 40 30 KKEBRM COc1ccc(Nc2nc(N=NCc3ccccc3C(=O)[O-])nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000103782488 555476495 /nfs/dbraw/zinc/47/64/95/555476495.db2.gz 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/nfs/dbraw/zinc/36/33/00/571363300.db2.gz OQZZSKHFNYQCEA-UNFXSYILSA-N -1 0 563.723 8.034 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OC ZINC000103845915 571363325 /nfs/dbraw/zinc/36/33/25/571363325.db2.gz FOVVWAVTHZUHQD-JFLMPSFJSA-N -1 0 540.660 5.957 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(OC)c(OCC(=O)[O-])cc3Br)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000103846580 571363482 /nfs/dbraw/zinc/36/34/82/571363482.db2.gz AHNBZYILACCURA-ZLEOPLMGSA-N -1 0 595.515 6.855 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103848642 571363886 /nfs/dbraw/zinc/36/38/86/571363886.db2.gz MUNWTYSQQDUVPH-PCLIKHOPSA-N -1 0 532.593 6.122 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000103850644 571364598 /nfs/dbraw/zinc/36/45/98/571364598.db2.gz DJDKXAIJHVEJPA-OEAKJJBVSA-N -1 0 549.396 5.871 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103850618 571364662 /nfs/dbraw/zinc/36/46/62/571364662.db2.gz DFPLOUDRJXEVIR-LPYMAVHISA-N -1 0 569.814 6.216 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000103850754 571364750 /nfs/dbraw/zinc/36/47/50/571364750.db2.gz CJCBJKYXLMGGLJ-YDZHTSKRSA-N -1 0 569.416 6.505 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103850777 571364785 /nfs/dbraw/zinc/36/47/85/571364785.db2.gz YNBMZSMZUXIVMH-BUVRLJJBSA-N -1 0 545.523 5.107 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000103851314 571365016 /nfs/dbraw/zinc/36/50/16/571365016.db2.gz WTSMVJKTPNYKEP-KGENOOAVSA-N -1 0 537.012 5.627 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000103852633 571365503 /nfs/dbraw/zinc/36/55/03/571365503.db2.gz MVGDZFZTCIEZKC-YBFXNURJSA-N -1 0 580.435 5.269 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103852933 571365570 /nfs/dbraw/zinc/36/55/70/571365570.db2.gz IZTOHJSRBFTQGR-DEDYPNTBSA-N -1 0 596.434 5.635 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103852834 571365607 /nfs/dbraw/zinc/36/56/07/571365607.db2.gz SPXQUZVGDUBNCK-DEDYPNTBSA-N -1 0 541.431 6.271 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103852909 571365617 /nfs/dbraw/zinc/36/56/17/571365617.db2.gz OUGJGTRULYXWNW-DEDYPNTBSA-N -1 0 569.427 5.866 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000103853096 571365781 /nfs/dbraw/zinc/36/57/81/571365781.db2.gz CGIQNEJGQWORCG-XQNSMLJCSA-N -1 0 530.621 5.672 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000103858889 571366801 /nfs/dbraw/zinc/36/68/01/571366801.db2.gz IOSMDXPVAZVWOY-KEBDBYFISA-N -1 0 611.246 5.337 40 30 KKEBRM N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000103859672 571367271 /nfs/dbraw/zinc/36/72/71/571367271.db2.gz SHLIFYRSTQHLLP-CIAFOILYSA-N -1 0 581.220 5.329 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103865978 571367984 /nfs/dbraw/zinc/36/79/84/571367984.db2.gz NEQYFCYKRCNIKW-MTJSOVHGSA-N -1 0 529.401 6.171 40 30 KKEBRM CCCCCCc1ccc(O)c(/C=N\c2cc(Cl)c(Cl)cc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000104116043 571374187 /nfs/dbraw/zinc/37/41/87/571374187.db2.gz IAULDVFBDMRFSF-QRQIAZFYSA-N -1 0 505.467 7.373 40 30 KKEBRM [O-]C(c1ccccc1[C@]1(O)OC(C(F)(F)F)(C(F)(F)F)c2ccccc21)(C(F)(F)F)C(F)(F)F ZINC000104208172 571376994 /nfs/dbraw/zinc/37/69/94/571376994.db2.gz KYSZTEFDZYZGFO-ZDUSSCGKSA-N -1 0 514.262 5.542 40 30 KKEBRM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000105573104 571407630 /nfs/dbraw/zinc/40/76/30/571407630.db2.gz RCQDSNVOEROYFD-OAQYLSRUSA-N -1 0 524.831 6.221 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000109546460 571429383 /nfs/dbraw/zinc/42/93/83/571429383.db2.gz MLDPMHVCMHDTSA-CEQVMOKUSA-N -1 0 540.019 8.617 40 30 KKEBRM CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110732601 571431835 /nfs/dbraw/zinc/43/18/35/571431835.db2.gz HZNPLRPQZYEIGM-LEMJEDKYSA-N -1 0 523.408 5.960 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000110729929 571431899 /nfs/dbraw/zinc/43/18/99/571431899.db2.gz HTLAHOHZOLBMMA-BEJYLZJOSA-N -1 0 567.461 6.359 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)ccc1OCc1ccccc1Cl ZINC000110732611 571431908 /nfs/dbraw/zinc/43/19/08/571431908.db2.gz ACFFGDONOOAFFC-YQMVTHACSA-N -1 0 537.037 6.640 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000118918529 571444662 /nfs/dbraw/zinc/44/46/62/571444662.db2.gz MISRCEKKHJVMIX-OGYWCTJRSA-N -1 0 574.718 5.504 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000118918528 571444667 /nfs/dbraw/zinc/44/46/67/571444667.db2.gz MISRCEKKHJVMIX-NWWKIJFJSA-N -1 0 574.718 5.504 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000118918868 571445194 /nfs/dbraw/zinc/44/51/94/571445194.db2.gz IMNYBTVHQUPUHM-NDKQHUTLSA-N -1 0 534.524 6.555 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918981 571445338 /nfs/dbraw/zinc/44/53/38/571445338.db2.gz ZPXHVNPZTXFIOI-BJUFIOBBSA-N -1 0 534.697 5.224 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000118921259 571446328 /nfs/dbraw/zinc/44/63/28/571446328.db2.gz UUSRSOMFQHDJAD-VHIXQNJRSA-N -1 0 535.681 5.022 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921759 571446367 /nfs/dbraw/zinc/44/63/67/571446367.db2.gz ZKLSMMQOZBNCNB-URWDRHLLSA-N -1 0 556.744 5.014 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921762 571446434 /nfs/dbraw/zinc/44/64/34/571446434.db2.gz JFBCPEYXJIIHIY-UMVBIJKMSA-N -1 0 558.760 5.238 40 30 KKEBRM O=C([O-])[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344393 571459315 /nfs/dbraw/zinc/45/93/15/571459315.db2.gz HPNULWLLEOKCID-UCZIYFJWSA-N -1 0 662.089 6.781 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000150345010 571459771 /nfs/dbraw/zinc/45/97/71/571459771.db2.gz ZXUPZKALWACUFH-FTZPEBGHSA-N -1 0 720.904 5.193 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150381056 571466868 /nfs/dbraw/zinc/46/68/68/571466868.db2.gz QCURTHPUFXHJRU-ACUXHLBZSA-N -1 0 671.194 8.029 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150382344 571467192 /nfs/dbraw/zinc/46/71/92/571467192.db2.gz GLTNVEAAJOJTLZ-BELQJWEKSA-N -1 0 627.314 6.594 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150382650 571467298 /nfs/dbraw/zinc/46/72/98/571467298.db2.gz AUTAHMOOCPUFIG-JEAARVIFSA-N -1 0 669.324 7.118 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=N\c1ccc(N(CC)CC)cc1 ZINC000150382618 571467338 /nfs/dbraw/zinc/46/73/38/571467338.db2.gz DKVXKNOGILJNDO-HSRGEJEPSA-N -1 0 705.215 11.304 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 ZINC000150383586 571467837 /nfs/dbraw/zinc/46/78/37/571467837.db2.gz XJLAYMPFILZNCU-TUYTUYLVSA-N -1 0 738.841 9.497 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000150383648 571467989 /nfs/dbraw/zinc/46/79/89/571467989.db2.gz XMXMLFJXVSJHHL-VYVUJPJFSA-N -1 0 739.320 7.711 40 30 KKEBRM CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N/N=c2\sc(-c3ccccc3Cl)nn2C)cc1C(=O)[O-] ZINC000150389095 571471494 /nfs/dbraw/zinc/47/14/94/571471494.db2.gz YUILFBBWRLACEE-YJKCNMNRSA-N -1 0 665.322 8.155 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000150422749 571488405 /nfs/dbraw/zinc/48/84/05/571488405.db2.gz ZMINLYOFCFLIAF-KVSWJAHQSA-N -1 0 650.641 7.967 40 30 KKEBRM COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c([O-])c(I)c4)cc3s2)c1 ZINC000150485146 571515741 /nfs/dbraw/zinc/51/57/41/571515741.db2.gz NLWDFBRXFTWYPO-LUOAPIJWSA-N -1 0 731.375 6.710 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000150540059 571520608 /nfs/dbraw/zinc/52/06/08/571520608.db2.gz AAQRJOQTRQJORD-MHZLTWQESA-N -1 0 630.147 7.437 40 30 KKEBRM CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000150560225 571520991 /nfs/dbraw/zinc/52/09/91/571520991.db2.gz MBZDNWOFYBFREC-JUPFXYODSA-N -1 0 893.184 14.115 40 30 KKEBRM CCCCCCCCCCCCCCCCc1ccc(C(=O)[O-])cc1S(=O)(=O)N/N=c1/sc2ccc(S(=O)(=O)C(F)F)cc2n1C ZINC000150599724 571522517 /nfs/dbraw/zinc/52/25/17/571522517.db2.gz QVCBSCKXVOVPQN-LVYIWIAJSA-N -1 0 701.924 7.752 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000164338347 571546006 /nfs/dbraw/zinc/54/60/06/571546006.db2.gz BMAQLNGCDCHNDF-IBBHUPRXSA-N -1 0 646.740 6.866 40 30 KKEBRM N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164456818 571548220 /nfs/dbraw/zinc/54/82/20/571548220.db2.gz DZDJCHMHJZZOHM-DJKKODMXSA-N -1 0 754.116 5.775 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc(Br)c([O-])c(Br)c3)cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164462037 571548225 /nfs/dbraw/zinc/54/82/25/571548225.db2.gz YDYSJHQODPWFMO-JAVXJAORSA-N -1 0 863.498 10.356 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000164706260 571550781 /nfs/dbraw/zinc/55/07/81/571550781.db2.gz VVETUCJNJWRZEP-KIBLKLHPSA-N -1 0 716.320 6.601 40 30 KKEBRM CCCCCCCCCCCCCCCC(=O)NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000169722867 571559515 /nfs/dbraw/zinc/55/95/15/571559515.db2.gz YBDSNIWBIQSKHK-YTTGMZPUSA-N -1 0 578.794 7.966 40 30 KKEBRM C=C(CC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000299817406 572139141 /nfs/dbraw/zinc/13/91/41/572139141.db2.gz AYHCPTDPDUADTK-MVLXFEHYSA-N -1 0 510.759 8.137 40 30 biogenic,in-vitro KKEBRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)ON5C(=O)C[C@@H](S(=O)(=O)[O-])C5=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000307761622 572145506 /nfs/dbraw/zinc/14/55/06/572145506.db2.gz SVJMJULSMZSASP-ZLGJZZJISA-N -1 0 663.874 6.193 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408527582 572160954 /nfs/dbraw/zinc/16/09/54/572160954.db2.gz AYIDWSOLNSRYOG-YQTYGERVSA-N -1 0 639.944 8.741 40 30 KKEBRM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000408529208 572167405 /nfs/dbraw/zinc/16/74/05/572167405.db2.gz CKVPFWWEPPTRFM-YOROTWAESA-N -1 0 537.317 5.308 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408532678 572180548 /nfs/dbraw/zinc/18/05/48/572180548.db2.gz OOHWQGLYAYGJQH-PCYGFIDKSA-N -1 0 534.637 7.389 40 30 KKEBRM Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(I)cc4)C3=O)cc2)cc1 ZINC000408535338 572188242 /nfs/dbraw/zinc/18/82/42/572188242.db2.gz NQHWWOUBWNTEKP-HUWWCRDESA-N -1 0 551.344 5.617 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408538926 572199946 /nfs/dbraw/zinc/19/99/46/572199946.db2.gz RMTUHJBYICBJBO-RRAHZORUSA-N -1 0 649.582 7.833 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408538931 572199970 /nfs/dbraw/zinc/19/99/70/572199970.db2.gz RPHDHMQPEAQOSR-QNGOZBTKSA-N -1 0 588.455 6.162 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408538873 572200033 /nfs/dbraw/zinc/20/00/33/572200033.db2.gz QWLGNSAORMMYMB-DEDYPNTBSA-N -1 0 577.903 6.825 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408539147 572200920 /nfs/dbraw/zinc/20/09/20/572200920.db2.gz UFDGAGMWMVODCE-RCCKNPSSSA-N -1 0 577.903 6.907 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408539113 572201174 /nfs/dbraw/zinc/20/11/74/572201174.db2.gz TTZGGOWNOGQNPO-CPNJWEJPSA-N -1 0 596.291 6.756 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408539960 572204193 /nfs/dbraw/zinc/20/41/93/572204193.db2.gz KYQBFZYZIJYTMY-NKFKGCMQSA-N -1 0 538.641 5.898 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1Br ZINC000408540073 572204222 /nfs/dbraw/zinc/20/42/22/572204222.db2.gz MQNWGKPYCBRWLV-QNGOZBTKSA-N -1 0 666.407 7.415 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408540067 572204232 /nfs/dbraw/zinc/20/42/32/572204232.db2.gz MMSQQMAYYTUIJN-RGEXLXHISA-N -1 0 533.452 6.716 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)[N-]C6=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000245229382 572207169 /nfs/dbraw/zinc/20/71/69/572207169.db2.gz WJRJONZDINDKQJ-CCDXVDENSA-N -1 0 695.967 7.288 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408541470 572208973 /nfs/dbraw/zinc/20/89/73/572208973.db2.gz ZPYFUZJQYMZJBS-QJOMJCCJSA-N -1 0 587.113 6.942 40 30 KKEBRM COC(=O)c1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c3ccccc32)c1 ZINC000408544030 572214179 /nfs/dbraw/zinc/21/41/79/572214179.db2.gz RKYSKRHNZCCUDL-YWIAFHDPSA-N -1 0 601.684 6.979 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nnc(CC)o2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408630760 572286535 /nfs/dbraw/zinc/28/65/35/572286535.db2.gz CMKHNZRMJOBTRD-KGENOOAVSA-N -1 0 501.004 6.209 40 30 KKEBRM C#CCOc1ccc(Br)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)[O-] ZINC000408630791 572286588 /nfs/dbraw/zinc/28/65/88/572286588.db2.gz BFBXVJNSJAAQHJ-UYRXBGFRSA-N -1 0 518.820 5.611 40 30 KKEBRM C=CCc1cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408631630 572287787 /nfs/dbraw/zinc/28/77/87/572287787.db2.gz KWNUIPRIHZWCEA-CVKSISIWSA-N -1 0 612.535 7.711 40 30 KKEBRM CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408631789 572288069 /nfs/dbraw/zinc/28/80/69/572288069.db2.gz GKUIQNHWALBDGX-ZRGSRPPYSA-N -1 0 559.600 5.821 40 30 KKEBRM COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408631973 572288304 /nfs/dbraw/zinc/28/83/04/572288304.db2.gz BWUYDYSZGMYQII-QRVIBDJDSA-N -1 0 519.966 6.067 40 30 KKEBRM N#Cc1ccccc1COc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000408632065 572288334 /nfs/dbraw/zinc/28/83/34/572288334.db2.gz DAGMLOGBFKADJM-UUYOSTAYSA-N -1 0 506.381 5.994 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408632246 572288626 /nfs/dbraw/zinc/28/86/26/572288626.db2.gz PHQJUMOCYQRIKX-KSEXSDGBSA-N -1 0 674.904 6.415 40 30 KKEBRM C=CCOc1c(Br)cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1OC ZINC000408633546 572290219 /nfs/dbraw/zinc/29/02/19/572290219.db2.gz ZXUVEEVVJVINNE-ZDLGFXPLSA-N -1 0 552.834 5.687 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408633750 572290620 /nfs/dbraw/zinc/29/06/20/572290620.db2.gz OYAAXCHDQVRPCB-OVVQPSECSA-N -1 0 610.563 8.196 40 30 KKEBRM CCn1c(S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633758 572290625 /nfs/dbraw/zinc/29/06/25/572290625.db2.gz OZNXNMQTXHOYJK-YSMPRRRNSA-N -1 0 540.048 6.711 40 30 KKEBRM N#Cc1ccc(COc2ccc(Cl)cc2C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1 ZINC000408634130 572291045 /nfs/dbraw/zinc/29/10/45/572291045.db2.gz PMFGMRCXABHVCC-UUYOSTAYSA-N -1 0 523.401 6.447 40 30 KKEBRM CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408634722 572291859 /nfs/dbraw/zinc/29/18/59/572291859.db2.gz WWRQFCFUGOBVIG-QQXSKIMKSA-N -1 0 561.063 6.686 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)[O-] ZINC000014089769 574410886 /nfs/dbraw/zinc/41/08/86/574410886.db2.gz HMMGKOVEOFBCAU-OQJDUFEHSA-N -1 0 512.731 6.839 40 30 endogenous,in-man KKEBRM CCCCCCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000097949774 1069690016 /nfs/dbraw/zinc/69/00/16/1069690016.db2.gz YJBREJMRPGMVEI-UHFFFAOYSA-N -1 0 533.738 7.244 40 30 KKEBRM CCCCc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(NC(C)=O)cc4)c3=O)n2)cc1 ZINC000097961928 1069690619 /nfs/dbraw/zinc/69/06/19/1069690619.db2.gz QEEARXSERBJQAR-BFYITVNDSA-N -1 0 536.661 6.330 40 30 KKEBRM N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3c(Br)c(Br)c(Br)c(Br)c3C(=O)[O-])cc2s1 ZINC000408750585 1069737105 /nfs/dbraw/zinc/73/71/05/1069737105.db2.gz PAVPKIQIBUKYLE-UHFFFAOYSA-N -1 0 761.109 8.461 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408937501 1069758913 /nfs/dbraw/zinc/75/89/13/1069758913.db2.gz QVYBYKFMVZDMGC-ICEIDMMXSA-N -1 0 660.384 7.430 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409087541 1069772150 /nfs/dbraw/zinc/77/21/50/1069772150.db2.gz BLRAKOBWYYOWOR-HXTCXDMZSA-N -1 0 761.319 10.221 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092556 1069777038 /nfs/dbraw/zinc/77/70/38/1069777038.db2.gz WZLSXGWNWSMNOU-UHFFFAOYSA-N -1 0 634.991 6.956 40 30 KKEBRM CCCOc1c2cccc1Cc1cc(/C=C3/CC/C(=C\c4ccc(OC)cc4)C3=O)cc(c1O)Cc1cccc(c1OCCC)Cc1cc([N+](=O)[O-])cc(c1[O-])C2 ZINC000409422233 1069814780 /nfs/dbraw/zinc/81/47/80/1069814780.db2.gz YRYFRVBUQDPRRF-YFIJULNUSA-N -1 0 765.903 10.099 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408769318 1069875322 /nfs/dbraw/zinc/87/53/22/1069875322.db2.gz QTXKXQXAJUMVJS-WSDLNYQXSA-N -1 0 546.963 5.051 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408774541 1069890616 /nfs/dbraw/zinc/89/06/16/1069890616.db2.gz WFYGKYJUSLKQQT-MFKUBSTISA-N -1 0 541.991 5.584 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408779117 1069899963 /nfs/dbraw/zinc/89/99/63/1069899963.db2.gz RNTYAMYEBWCLDI-LPYMAVHISA-N -1 0 569.814 6.216 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408780488 1069903795 /nfs/dbraw/zinc/90/37/95/1069903795.db2.gz CKQZOJLKENABBX-ZVHZXABRSA-N -1 0 624.329 6.802 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408791013 1069919005 /nfs/dbraw/zinc/91/90/05/1069919005.db2.gz SKRNCRAKSOQDJA-JEAARVIFSA-N -1 0 577.873 7.166 40 30 KKEBRM CN1C(=O)/C(=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408793993 1069926338 /nfs/dbraw/zinc/92/63/38/1069926338.db2.gz HAOFXTKIEHXHKM-IVRRFPEOSA-N -1 0 501.995 6.275 40 30 KKEBRM CN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792210 1069930978 /nfs/dbraw/zinc/93/09/78/1069930978.db2.gz JOCDQSRJSAPWFP-IVRRFPEOSA-N -1 0 546.446 6.384 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408798779 1069933858 /nfs/dbraw/zinc/93/38/58/1069933858.db2.gz WXAYOVYEVNYOHF-BELQJWEKSA-N -1 0 674.314 6.436 40 30 KKEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000408833110 1070017400 /nfs/dbraw/zinc/01/74/00/1070017400.db2.gz SWYZXCNNUDTOGC-LFVJCYFKSA-N -1 0 532.980 5.549 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408845485 1070051970 /nfs/dbraw/zinc/05/19/70/1070051970.db2.gz HGRWTXLBEFHCLB-CPNJWEJPSA-N -1 0 587.912 6.794 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408854570 1070072420 /nfs/dbraw/zinc/07/24/20/1070072420.db2.gz IPBDTAFTXZPEHP-MFKUBSTISA-N -1 0 575.459 6.048 40 30 KKEBRM Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S1 ZINC000408864211 1070079958 /nfs/dbraw/zinc/07/99/58/1070079958.db2.gz XKPFIFLOMGLJGF-AUWJEWJLSA-N -1 0 502.615 5.771 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408871230 1070095173 /nfs/dbraw/zinc/09/51/73/1070095173.db2.gz WMRNDXRLHDNGLT-UKJUMBSUSA-N -1 0 620.509 6.336 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408871226 1070095485 /nfs/dbraw/zinc/09/54/85/1070095485.db2.gz WMRNDXRLHDNGLT-MNZQTBDHSA-N -1 0 620.509 6.336 40 30 KKEBRM Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(I)c([O-])c(I)c2)S1 ZINC000408880442 1070106466 /nfs/dbraw/zinc/10/64/66/1070106466.db2.gz JCQXQEVOKSKBHV-AUWJEWJLSA-N -1 0 596.615 5.455 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000408912380 1070189409 /nfs/dbraw/zinc/18/94/09/1070189409.db2.gz NIOZWSSWOCFNQU-WZNPNLAZSA-N -1 0 502.592 5.314 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=NNc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 ZINC000408908914 1070195637 /nfs/dbraw/zinc/19/56/37/1070195637.db2.gz DZUUSZYLSDSRGA-MYKKPKGFSA-N -1 0 549.175 5.843 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S/C2=N/c2ccccc2)cc1 ZINC000408917521 1070208690 /nfs/dbraw/zinc/20/86/90/1070208690.db2.gz WEHNYBWYCDYLAH-JQSXLCGMSA-N -1 0 605.115 8.575 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408916875 1070206193 /nfs/dbraw/zinc/20/61/93/1070206193.db2.gz HUKRVYQGZORDAW-MSPQWDQXSA-N -1 0 633.553 8.474 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N1C1CCCCC1 ZINC000408913582 1070210865 /nfs/dbraw/zinc/21/08/65/1070210865.db2.gz VOXLBYRPKZZCSM-ZDGMEELJSA-N -1 0 658.343 7.101 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914080 1070212611 /nfs/dbraw/zinc/21/26/11/1070212611.db2.gz SLOKXTCOVWIEMO-BPRJVQAXSA-N -1 0 604.251 5.924 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)S/C1=N/c1ccccc1 ZINC000408928433 1070251397 /nfs/dbraw/zinc/25/13/97/1070251397.db2.gz BGAWAHUPEVHKOO-UNTXSTRGSA-N -1 0 672.541 6.608 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929280 1070255259 /nfs/dbraw/zinc/25/52/59/1070255259.db2.gz UOTDKNCCPBVUEU-URWIEHKQSA-N -1 0 565.331 6.531 40 30 KKEBRM COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408930764 1070261256 /nfs/dbraw/zinc/26/12/56/1070261256.db2.gz BTMBULLBAFLYNF-LQKURTRISA-N -1 0 525.399 5.322 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931328 1070262677 /nfs/dbraw/zinc/26/26/77/1070262677.db2.gz KBZWTSALFFZGRX-USJOSALXSA-N -1 0 581.650 6.334 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1I ZINC000408932973 1070264274 /nfs/dbraw/zinc/26/42/74/1070264274.db2.gz GEQGBLJIYITTQS-GDXYPYGWSA-N -1 0 614.461 6.201 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1I ZINC000408960518 1070325145 /nfs/dbraw/zinc/32/51/45/1070325145.db2.gz GFDRHCLKUIPFFP-AWNIVKPZSA-N -1 0 628.069 5.716 40 30 KKEBRM Cc1cccc(Nc2nc(NN=Cc3ccc(-c4ccccc4C(=O)[O-])o3)nc(N3CCC(C)CC3)n2)c1C ZINC000408973991 1070335653 /nfs/dbraw/zinc/33/56/53/1070335653.db2.gz SXQPBIIRPRWFRV-OCSSWDANSA-N -1 0 525.613 5.294 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408982087 1070339811 /nfs/dbraw/zinc/33/98/11/1070339811.db2.gz FOEYCEHZAYQXJE-IWIPYMOSSA-N -1 0 563.423 6.125 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1CC=C ZINC000408986734 1070348763 /nfs/dbraw/zinc/34/87/63/1070348763.db2.gz DGMPVWBDFDWCHS-WQRHYEAKSA-N -1 0 515.791 5.371 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408988690 1070345521 /nfs/dbraw/zinc/34/55/21/1070345521.db2.gz IWFOTKKLGWTLBU-YSMPRRRNSA-N -1 0 615.911 7.538 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408991014 1070356992 /nfs/dbraw/zinc/35/69/92/1070356992.db2.gz PJIYQEIJOWFDPI-IWIPYMOSSA-N -1 0 590.430 5.894 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=N\OCc3ccccc3)cc2I)cc1 ZINC000408990235 1070355666 /nfs/dbraw/zinc/35/56/66/1070355666.db2.gz KAEHWMXZPWRBJU-ROTLSHHCSA-N -1 0 613.189 5.724 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408988899 1070361395 /nfs/dbraw/zinc/36/13/95/1070361395.db2.gz SBHZTDQDUKUPNY-OYKKKHCWSA-N -1 0 609.904 6.784 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)cc2I)cc1 ZINC000408996904 1070366367 /nfs/dbraw/zinc/36/63/67/1070366367.db2.gz FKFFGCBFWZJKRX-BHVNOFQDSA-N -1 0 772.402 7.977 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)S2)c1 ZINC000408992883 1070367585 /nfs/dbraw/zinc/36/75/85/1070367585.db2.gz UAIFQJXPXZWIOO-XKZIYDEJSA-N -1 0 528.571 5.884 40 30 KKEBRM Cc1cc(C)nc(N=NCc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)n1 ZINC000408998962 1070373672 /nfs/dbraw/zinc/37/36/72/1070373672.db2.gz VNOVKAPDWIXPDI-VROXFSQNSA-N -1 0 628.208 5.026 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409003252 1070384806 /nfs/dbraw/zinc/38/48/06/1070384806.db2.gz RNKSTUWOVPDQJZ-HMAPJEAMSA-N -1 0 659.352 7.032 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409010847 1070388672 /nfs/dbraw/zinc/38/86/72/1070388672.db2.gz LWIXIBWHYRZSSW-UILYKIRISA-N -1 0 545.842 6.993 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409011981 1070389958 /nfs/dbraw/zinc/38/99/58/1070389958.db2.gz IHYHEKLVKBYBPQ-BDFKGGEMSA-N -1 0 539.606 5.079 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c([O-])c(Cl)c1 ZINC000409033543 1070423792 /nfs/dbraw/zinc/42/37/92/1070423792.db2.gz FNLYIPUFIGHPQT-UHFFFAOYSA-N -1 0 524.488 7.585 40 30 KKEBRM C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409041578 1070445334 /nfs/dbraw/zinc/44/53/34/1070445334.db2.gz KAVYAZVLAJRCFC-NTUHNPAUSA-N -1 0 573.024 5.197 40 30 KKEBRM O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)cc(Br)c1[O-])C1c3ccccc3C2c2ccccc21 ZINC000409047242 1070458869 /nfs/dbraw/zinc/45/88/69/1070458869.db2.gz NTKPKXBUNSCLRH-JEENWQEUSA-N -1 0 552.222 5.143 40 30 KKEBRM CCCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409048231 1070460823 /nfs/dbraw/zinc/46/08/23/1070460823.db2.gz RUJDWUGPAZIKLM-UHFFFAOYSA-N -1 0 623.382 6.771 40 30 KKEBRM O=C1CCCC2=C1C(c1cc(Br)c([O-])c(Br)c1)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000409048499 1070461715 /nfs/dbraw/zinc/46/17/15/1070461715.db2.gz OXLIVZNMVKKYAX-UHFFFAOYSA-N -1 0 557.282 6.531 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)C2=C1CCCC2=O ZINC000409049950 1070463768 /nfs/dbraw/zinc/46/37/68/1070463768.db2.gz YYAHWEVWGIZBRX-UHFFFAOYSA-N -1 0 649.763 6.942 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409052071 1070468256 /nfs/dbraw/zinc/46/82/56/1070468256.db2.gz GGKYDGBTLYXPMA-BMAJZYRLSA-N -1 0 611.547 8.022 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409058343 1070471378 /nfs/dbraw/zinc/47/13/78/1070471378.db2.gz MOXOKZPINCTMAX-NVHABHRXSA-N -1 0 519.417 5.567 40 30 KKEBRM C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409063625 1070478959 /nfs/dbraw/zinc/47/89/59/1070478959.db2.gz CZKHEACWLVIPRS-PXLXIMEGSA-N -1 0 506.027 5.452 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409064153 1070479705 /nfs/dbraw/zinc/47/97/05/1070479705.db2.gz BYLXESRLLLDNBS-FYJGNVAPSA-N -1 0 537.399 5.976 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409066733 1070483175 /nfs/dbraw/zinc/48/31/75/1070483175.db2.gz BIAZHJYABWPDJR-UHFFFAOYSA-N -1 0 646.611 8.886 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C2=C1CCCC2=O ZINC000409067592 1070483985 /nfs/dbraw/zinc/48/39/85/1070483985.db2.gz FURAQCWZMYXIBE-UHFFFAOYSA-N -1 0 558.433 6.600 40 30 KKEBRM CCOc1ccc2ccccc2c1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409068039 1070484669 /nfs/dbraw/zinc/48/46/69/1070484669.db2.gz SLMQRXPJTORCIL-UHFFFAOYSA-N -1 0 515.650 6.399 40 30 KKEBRM CCN1C2=C(C(=O)CCC2)C(c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CCCC2=O ZINC000409068431 1070485414 /nfs/dbraw/zinc/48/54/14/1070485414.db2.gz RKXFAYNAXDSUDX-UHFFFAOYSA-N -1 0 627.475 6.010 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccccc1Cl ZINC000409068895 1070486175 /nfs/dbraw/zinc/48/61/75/1070486175.db2.gz UKALMNGMEFHBSR-UHFFFAOYSA-N -1 0 576.089 6.544 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074691 1070487552 /nfs/dbraw/zinc/48/75/52/1070487552.db2.gz URAWKTTYOLBUMV-UHFFFAOYSA-N -1 0 680.636 7.457 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409075936 1070490011 /nfs/dbraw/zinc/49/00/11/1070490011.db2.gz VXDUMBUWEWDZMJ-XQNSMLJCSA-N -1 0 611.470 5.010 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c2C(=O)NCc2ccco2)C1 ZINC000409077457 1070493020 /nfs/dbraw/zinc/49/30/20/1070493020.db2.gz FEVKWHIDXLVABZ-YDKOGOFZSA-N -1 0 565.091 7.784 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3cccc(F)c3)c(Br)c2)C2=C1CCCC2=O ZINC000409069773 1070494790 /nfs/dbraw/zinc/49/47/90/1070494790.db2.gz WLGXJERYJKYWGZ-UHFFFAOYSA-N -1 0 568.439 6.055 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 ZINC000409071197 1070497065 /nfs/dbraw/zinc/49/70/65/1070497065.db2.gz FVRLORWWRBXHBL-UHFFFAOYSA-N -1 0 536.024 5.816 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409073305 1070499722 /nfs/dbraw/zinc/49/97/22/1070499722.db2.gz MAPZQGZWNGAPMY-UHFFFAOYSA-N -1 0 602.684 6.343 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089071 1070523460 /nfs/dbraw/zinc/52/34/60/1070523460.db2.gz HDFPRBVSEQWHAK-UHFFFAOYSA-N -1 0 577.546 5.192 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c2C(=O)Nc2ccccc2)C1 ZINC000409091532 1070527136 /nfs/dbraw/zinc/52/71/36/1070527136.db2.gz RBVAWXLLQRAKIW-DFDIYMMZSA-N -1 0 526.658 7.860 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409246492 1070663400 /nfs/dbraw/zinc/66/34/00/1070663400.db2.gz BYMLRQUPLUQFDH-WLZRAQTASA-N -1 0 632.451 6.340 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409277336 1070702133 /nfs/dbraw/zinc/70/21/33/1070702133.db2.gz BPRCBNBFMSVEIT-UHFFFAOYSA-N -1 0 561.219 5.934 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1 ZINC000409277511 1070702162 /nfs/dbraw/zinc/70/21/62/1070702162.db2.gz ARETUADQKWWMBZ-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409276711 1070722397 /nfs/dbraw/zinc/72/23/97/1070722397.db2.gz VJJDZLSDLDSEJH-UHFFFAOYSA-N -1 0 677.777 7.256 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@@H](C)C(=O)[O-])c(I)c3)cc21 ZINC000409279380 1070727611 /nfs/dbraw/zinc/72/76/11/1070727611.db2.gz HGPSDHMIMNFJFM-HNNXBMFYSA-N -1 0 609.376 5.157 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409280311 1070729203 /nfs/dbraw/zinc/72/92/03/1070729203.db2.gz JBEZQLAEZYIWFA-UHFFFAOYSA-N -1 0 639.020 6.929 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Cl)c1 ZINC000409284065 1070739046 /nfs/dbraw/zinc/73/90/46/1070739046.db2.gz SDIHTWPWJNDGCN-UHFFFAOYSA-N -1 0 515.997 6.257 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409284063 1070739163 /nfs/dbraw/zinc/73/91/63/1070739163.db2.gz KOSICXAXDHITDL-UHFFFAOYSA-N -1 0 581.426 6.560 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c([O-])c(Br)c2)cc1C(C)C ZINC000409285056 1070741224 /nfs/dbraw/zinc/74/12/24/1070741224.db2.gz WFIBBRWNOYTIPU-UHFFFAOYSA-N -1 0 585.296 6.617 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2)cc1 ZINC000409285085 1070741598 /nfs/dbraw/zinc/74/15/98/1070741598.db2.gz SQWASLBVKWAYEQ-UHFFFAOYSA-N -1 0 515.525 5.969 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br ZINC000409292627 1070746282 /nfs/dbraw/zinc/74/62/82/1070746282.db2.gz HRBNFAKWCTXTCT-UHFFFAOYSA-N -1 0 676.115 6.443 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@@H](C)C(=O)[O-])cc3Br)cc21 ZINC000409293059 1070747205 /nfs/dbraw/zinc/74/72/05/1070747205.db2.gz GXKZETAOCDIYPC-HNNXBMFYSA-N -1 0 592.402 5.324 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409289287 1070759707 /nfs/dbraw/zinc/75/97/07/1070759707.db2.gz LTZDOKMCOVRNBD-OAHLLOKOSA-N -1 0 562.376 5.315 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409296451 1070766683 /nfs/dbraw/zinc/76/66/83/1070766683.db2.gz IGDMKEZWQXEXHK-LLVKDONJSA-N -1 0 571.653 5.432 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409296766 1070767697 /nfs/dbraw/zinc/76/76/97/1070767697.db2.gz RIQDHWCHCFZUJC-QGZVFWFLSA-N -1 0 579.009 5.800 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409298105 1070770750 /nfs/dbraw/zinc/77/07/50/1070770750.db2.gz NJGJMLNWNOXSST-UHFFFAOYSA-N -1 0 736.255 7.540 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000409307991 1070786470 /nfs/dbraw/zinc/78/64/70/1070786470.db2.gz VPGUGXKDTXLKQY-UHFFFAOYSA-N -1 0 500.736 5.215 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409311981 1070793840 /nfs/dbraw/zinc/79/38/40/1070793840.db2.gz IXGCLFVYDSNDFL-ZDUSSCGKSA-N -1 0 577.819 5.502 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409305824 1070801378 /nfs/dbraw/zinc/80/13/78/1070801378.db2.gz OMKWRGAONGAAMI-CQSZACIVSA-N -1 0 577.273 5.703 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409320964 1070808484 /nfs/dbraw/zinc/80/84/84/1070808484.db2.gz DATDYGLPIPFKKD-UHFFFAOYSA-N -1 0 692.202 7.186 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCC(=O)[O-] ZINC000409316273 1070819035 /nfs/dbraw/zinc/81/90/35/1070819035.db2.gz LXOZHMODLRTLHZ-UHFFFAOYSA-N -1 0 548.821 5.214 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cccc(C(=O)[O-])c2C)o1 ZINC000409317994 1070822983 /nfs/dbraw/zinc/82/29/83/1070822983.db2.gz SLCLDGNJHAYNPB-AWEZNQCLSA-N -1 0 508.372 5.821 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409326748 1070827174 /nfs/dbraw/zinc/82/71/74/1070827174.db2.gz NOMLZPLPSYMGGC-UHFFFAOYSA-N -1 0 635.471 6.283 40 30 KKEBRM N=C1SC(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C([O-])=C1c1nccs1 ZINC000409333962 1070839610 /nfs/dbraw/zinc/83/96/10/1070839610.db2.gz GJBLKGPHFHFWMN-NOLMVZMCSA-N -1 0 550.297 6.665 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409370051 1070894069 /nfs/dbraw/zinc/89/40/69/1070894069.db2.gz JZJDIGYJZISDBE-BUVRLJJBSA-N -1 0 595.548 7.093 40 30 KKEBRM C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccccc1 ZINC000408906080 1070896718 /nfs/dbraw/zinc/89/67/18/1070896718.db2.gz HEWRRNUKLQPVNQ-HEWDXIBNSA-N -1 0 652.295 6.967 40 30 KKEBRM N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000408903761 1070901982 /nfs/dbraw/zinc/90/19/82/1070901982.db2.gz YNTXYDGFVUSIEZ-KEBDBYFISA-N -1 0 693.210 5.152 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OCC ZINC000408901324 1070923592 /nfs/dbraw/zinc/92/35/92/1070923592.db2.gz XEOYIATXOKDLEI-ZHZULCJRSA-N -1 0 543.414 5.258 40 30 KKEBRM N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408898902 1070949926 /nfs/dbraw/zinc/94/99/26/1070949926.db2.gz NCZNMZBJYRPZCO-KEBDBYFISA-N -1 0 709.665 5.666 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408916979 1070996579 /nfs/dbraw/zinc/99/65/79/1070996579.db2.gz JWVJCWUMFOEPCO-NSDRVPDYSA-N -1 0 643.559 7.929 40 30 KKEBRM COc1cc(OC)c(OC)cc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000408916253 1071003202 /nfs/dbraw/zinc/00/32/02/1071003202.db2.gz AHTKHHIPFYIYGM-MCTFBJNISA-N -1 0 504.564 5.215 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408915789 1071006671 /nfs/dbraw/zinc/00/66/71/1071006671.db2.gz YOAATXWAWDEKRF-RWPZCVJISA-N -1 0 534.547 5.350 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2ccc(F)cc2)O[C@@H]1c1cc(OC)ccc1OCC(=O)[O-] ZINC000585268311 1071015658 /nfs/dbraw/zinc/01/56/58/1071015658.db2.gz ZBNQUSXOAILEIP-JJUMQRNRSA-N -1 0 510.989 7.130 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408912280 1071025200 /nfs/dbraw/zinc/02/52/00/1071025200.db2.gz QEPNJRNRNUSMMP-SRVANGTOSA-N -1 0 586.407 5.572 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)S/C1=N\c1ccccc1 ZINC000408911202 1071063039 /nfs/dbraw/zinc/06/30/39/1071063039.db2.gz ZDMWNXWNRVXJER-MKMXVRELSA-N -1 0 519.417 5.325 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408911652 1071060141 /nfs/dbraw/zinc/06/01/41/1071060141.db2.gz BBMWYCFPWYYKCB-OGLMXYFKSA-N -1 0 550.586 6.352 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408911104 1071064621 /nfs/dbraw/zinc/06/46/21/1071064621.db2.gz IWSQVGRNSUWYKN-LTMWAVIFSA-N -1 0 566.417 5.084 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1I ZINC000408918702 1071131457 /nfs/dbraw/zinc/13/14/57/1071131457.db2.gz NZCMTJOUTNDRET-FGDGGCPISA-N -1 0 720.326 6.410 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408918683 1071130652 /nfs/dbraw/zinc/13/06/52/1071130652.db2.gz NSOLQYBQPMTSDJ-QRVIBDJDSA-N -1 0 585.484 6.670 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408918630 1071130783 /nfs/dbraw/zinc/13/07/83/1071130783.db2.gz MXNWBUGVJFYEJO-RGYAJZRCSA-N -1 0 674.529 7.447 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S/C2=N/c2ccccc2)cc1 ZINC000408918330 1071134766 /nfs/dbraw/zinc/13/47/66/1071134766.db2.gz JGXYYGGGRCPANU-RTJRSLRCSA-N -1 0 510.571 6.458 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408918329 1071134800 /nfs/dbraw/zinc/13/48/00/1071134800.db2.gz JGQSUGLDLCMQJB-MFMIGPSVSA-N -1 0 657.586 8.238 40 30 KKEBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408917574 1071143781 /nfs/dbraw/zinc/14/37/81/1071143781.db2.gz XPUSYHKADDAODT-ZOVRHNTISA-N -1 0 577.662 6.515 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408917529 1071147280 /nfs/dbraw/zinc/14/72/80/1071147280.db2.gz WJZCLNCPIHOMQH-IZDTYNSGSA-N -1 0 625.497 5.902 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408917370 1071149065 /nfs/dbraw/zinc/14/90/65/1071149065.db2.gz SDVSIAQMLVWUFJ-CIRBIFNISA-N -1 0 725.004 8.425 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408917383 1071149157 /nfs/dbraw/zinc/14/91/57/1071149157.db2.gz SKUYVZAFVDSYBS-BDMQEEMLSA-N -1 0 537.435 6.350 40 30 KKEBRM CCOc1cc(Br)c(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408931269 1071154496 /nfs/dbraw/zinc/15/44/96/1071154496.db2.gz JHVAGIMKSKVLPH-ZLEOPLMGSA-N -1 0 611.514 6.758 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931272 1071154512 /nfs/dbraw/zinc/15/45/12/1071154512.db2.gz JIVXGZKTMWMQFK-VLEVMCKDSA-N -1 0 722.661 8.947 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931416 1071153169 /nfs/dbraw/zinc/15/31/69/1071153169.db2.gz LHRRRGREMLXIMD-KELHKHCHSA-N -1 0 619.526 8.083 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S/C1=N/c1ccccc1 ZINC000408930359 1071162125 /nfs/dbraw/zinc/16/21/25/1071162125.db2.gz WAXXSIPSPHNAEG-RVIYGNEXSA-N -1 0 526.250 5.558 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929693 1071166847 /nfs/dbraw/zinc/16/68/47/1071166847.db2.gz MQIJXWRCVLIKAW-QWZJDEPFSA-N -1 0 536.053 6.912 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccccc1 ZINC000408929804 1071168310 /nfs/dbraw/zinc/16/83/10/1071168310.db2.gz OIERJLXRZZEPKQ-BCYKQRFFSA-N -1 0 658.514 6.218 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408936303 1071212137 /nfs/dbraw/zinc/21/21/37/1071212137.db2.gz PCFPYBDYXMQKAS-SXQCHCAKSA-N -1 0 645.693 7.838 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408935218 1071226774 /nfs/dbraw/zinc/22/67/74/1071226774.db2.gz MZWNNGUYGAKXPW-MHJLENRISA-N -1 0 683.142 7.862 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\S/C(=N\c4ccc([N+](=O)[O-])cc4)N(CCc4c[nH]c5ccccc45)C3=O)cc2Br)cc1 ZINC000408934761 1071231634 /nfs/dbraw/zinc/23/16/34/1071231634.db2.gz MKIOZOQSTFRQTK-RDIUFSFTSA-N -1 0 776.463 8.725 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708231 1071242659 /nfs/dbraw/zinc/24/26/59/1071242659.db2.gz AFBUAXHEEURGRQ-HZHRSRAPSA-N -1 0 515.653 6.244 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(C)cc4)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933007 1071246724 /nfs/dbraw/zinc/24/67/24/1071246724.db2.gz GOCRWANKWZOVHC-GJDRURRNSA-N -1 0 643.559 7.848 40 30 KKEBRM CCOC(=O)COc1cc(Br)c(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408932943 1071246289 /nfs/dbraw/zinc/24/62/89/1071246289.db2.gz FXKGSIGOGIKNBY-UVWZIKQESA-N -1 0 669.550 6.301 40 30 KKEBRM CCOC(=O)COc1c(Cl)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1Br ZINC000408932742 1071249999 /nfs/dbraw/zinc/24/99/99/1071249999.db2.gz DUFHONPCYXLTAS-BDJVBQFXSA-N -1 0 567.845 5.285 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408932654 1071249535 /nfs/dbraw/zinc/24/95/35/1071249535.db2.gz DGIQEDQIAJMTOY-CQUHNDBISA-N -1 0 547.589 5.813 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408932279 1071253734 /nfs/dbraw/zinc/25/37/34/1071253734.db2.gz BVCNJBVPPUREKH-HLKPCOFWSA-N -1 0 641.341 6.903 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OC(C)C)c(Cl)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932045 1071254285 /nfs/dbraw/zinc/25/42/85/1071254285.db2.gz SKRXYZLFQROWFW-QKSAGWNYSA-N -1 0 537.037 6.638 40 30 KKEBRM COc1cccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408932149 1071254873 /nfs/dbraw/zinc/25/48/73/1071254873.db2.gz BCIWPRDTNHXEAC-OEIMQYJOSA-N -1 0 545.617 5.262 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000408941560 1071307554 /nfs/dbraw/zinc/30/75/54/1071307554.db2.gz WDOLUNICXMDFFV-JEQQQZIYSA-N -1 0 545.617 5.262 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408941416 1071307942 /nfs/dbraw/zinc/30/79/42/1071307942.db2.gz VSXOWODYLVDIAJ-AMHNEPIPSA-N -1 0 600.696 7.930 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408939710 1071322692 /nfs/dbraw/zinc/32/26/92/1071322692.db2.gz UBKNGFDLBZEURQ-NFASZRGGSA-N -1 0 650.378 7.974 40 30 KKEBRM C#CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408938232 1071333288 /nfs/dbraw/zinc/33/32/88/1071333288.db2.gz PMMAMVIICBRNIG-UCQKPKSFSA-N -1 0 521.356 5.251 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408937441 1071339548 /nfs/dbraw/zinc/33/95/48/1071339548.db2.gz QRBNYSDIUWIYPB-GLACDVFLSA-N -1 0 607.688 6.524 40 30 KKEBRM C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408937379 1071341533 /nfs/dbraw/zinc/34/15/33/1071341533.db2.gz QMKXMMNSBZDQPJ-HZPABMAHSA-N -1 0 500.576 5.762 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408937412 1071342090 /nfs/dbraw/zinc/34/20/90/1071342090.db2.gz QPTPGNLLBDEKMD-ZKMJAMJUSA-N -1 0 552.656 6.309 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3OCc3cccc(C(=O)[O-])c3)S2)cc1 ZINC000408949745 1071359334 /nfs/dbraw/zinc/35/93/34/1071359334.db2.gz BXSDULAOTLNWDW-HZHRSRAPSA-N -1 0 504.564 5.263 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408947634 1071370375 /nfs/dbraw/zinc/37/03/75/1071370375.db2.gz QNSYIWADBOYZOP-VHOCVAHHSA-N -1 0 540.129 7.383 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408956815 1071376342 /nfs/dbraw/zinc/37/63/42/1071376342.db2.gz YOLICUZOODRCJI-YDZHTSKRSA-N -1 0 560.990 5.441 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408967202 1071402468 /nfs/dbraw/zinc/40/24/68/1071402468.db2.gz QNQNUIHUENHQFQ-VCHYOVAHSA-N -1 0 539.057 5.530 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408962711 1071403934 /nfs/dbraw/zinc/40/39/34/1071403934.db2.gz JNIOWVKXKFTNNB-CIAFOILYSA-N -1 0 602.304 6.689 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)S2)cc1 ZINC000408965617 1071413024 /nfs/dbraw/zinc/41/30/24/1071413024.db2.gz WKSUJOGCLYDZHE-CIAFOILYSA-N -1 0 529.401 6.171 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965540 1071414113 /nfs/dbraw/zinc/41/41/13/1071414113.db2.gz INAJYVKEIGMYSW-FIMUXYILSA-N -1 0 564.663 6.819 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C(=O)[O-])cc4)N(C)C3=O)c2C)c1 ZINC000408965440 1071414670 /nfs/dbraw/zinc/41/46/70/1071414670.db2.gz HNMULVVBFXFYGY-QAAICXCNSA-N -1 0 503.580 5.203 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)o1 ZINC000408963562 1071421440 /nfs/dbraw/zinc/42/14/40/1071421440.db2.gz ZZKVLVQIXARQGH-HQQKWVMSSA-N -1 0 547.636 7.281 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)o1 ZINC000408963232 1071424484 /nfs/dbraw/zinc/42/44/84/1071424484.db2.gz YDROQPSSYGWCLA-CLHPWSKPSA-N -1 0 503.580 5.024 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408960590 1071431773 /nfs/dbraw/zinc/43/17/73/1071431773.db2.gz HCFQNKAORPZWLU-CIAFOILYSA-N -1 0 577.873 7.214 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408959509 1071436506 /nfs/dbraw/zinc/43/65/06/1071436506.db2.gz ADJYVIYSFGQECV-MRYWEKRUSA-N -1 0 520.610 6.768 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)SC2=Nc2ccccc2)cc1 ZINC000408959548 1071436606 /nfs/dbraw/zinc/43/66/06/1071436606.db2.gz AUTAZEKMHVVITP-BTFHXEKZSA-N -1 0 550.636 6.777 40 30 KKEBRM O=C([O-])COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br ZINC000408971958 1071451092 /nfs/dbraw/zinc/45/10/92/1071451092.db2.gz MWBRURMMERGLNR-RWPZCVJISA-N -1 0 541.467 6.636 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000408967828 1071464460 /nfs/dbraw/zinc/46/44/60/1071464460.db2.gz XMPSEVKWKXFAHT-LPYMAVHISA-N -1 0 539.407 5.627 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)S2)c1 ZINC000408987091 1071482336 /nfs/dbraw/zinc/48/23/36/1071482336.db2.gz AGQZEKWUILZDSL-YVLHZVERSA-N -1 0 524.561 5.539 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408984458 1071508152 /nfs/dbraw/zinc/50/81/52/1071508152.db2.gz RJOODUMONHDVAC-IWIPYMOSSA-N -1 0 579.878 6.639 40 30 KKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c1 ZINC000408720336 1071511424 /nfs/dbraw/zinc/51/14/24/1071511424.db2.gz LHLCZDSINWKSCO-YSURURNPSA-N -1 0 506.143 6.435 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1Cl ZINC000408983617 1071515752 /nfs/dbraw/zinc/51/57/52/1071515752.db2.gz MWOCZWUCMDSSKX-UWVJOHFNSA-N -1 0 676.692 6.133 40 30 KKEBRM COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2cc(Br)cc(Br)c2[O-])ccc1O ZINC000408721574 1071538468 /nfs/dbraw/zinc/53/84/68/1071538468.db2.gz UPNGYQIQRICULN-YCPBAFNGSA-N -1 0 596.073 6.459 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408994705 1071556189 /nfs/dbraw/zinc/55/61/89/1071556189.db2.gz ZSHPZAMSKGFNEF-YSMPRRRNSA-N -1 0 615.911 7.538 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408994459 1071558330 /nfs/dbraw/zinc/55/83/30/1071558330.db2.gz ZHSOEPKXSKDPDD-JAIQZWGSSA-N -1 0 534.600 5.946 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408992539 1071571696 /nfs/dbraw/zinc/57/16/96/1071571696.db2.gz UASIDXFFGKQYRB-UUYOSTAYSA-N -1 0 610.848 6.293 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408992079 1071575172 /nfs/dbraw/zinc/57/51/72/1071575172.db2.gz RXRGAVAZPCKEAH-IWIPYMOSSA-N -1 0 563.423 6.125 40 30 KKEBRM CCOc1ccc2nc(Sc3ccc(/C=C4\SC(=Nc5cccc(C(=O)[O-])c5)NC4=O)o3)sc2c1 ZINC000408991987 1071576662 /nfs/dbraw/zinc/57/66/62/1071576662.db2.gz POCRPMBROOJQTD-UNOMPAQXSA-N -1 0 523.617 6.029 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408990306 1071589733 /nfs/dbraw/zinc/58/97/33/1071589733.db2.gz KJRMOPMKOLQIOW-ZDLGFXPLSA-N -1 0 512.956 5.384 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408988479 1071604603 /nfs/dbraw/zinc/60/46/03/1071604603.db2.gz DPMOAHXUBKIDQQ-WGARJPEWSA-N -1 0 653.723 7.198 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408988151 1071607324 /nfs/dbraw/zinc/60/73/24/1071607324.db2.gz CWVVONMGXVQTCX-WGARJPEWSA-N -1 0 679.717 6.746 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NC3CCCCC3)CCCC4)o2)cc1Cl ZINC000408996533 1071618535 /nfs/dbraw/zinc/61/85/35/1071618535.db2.gz PWCHQXZEXRPPCQ-FDVSRXAVSA-N -1 0 511.043 7.052 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(OCC)c3)C2=O)cc1Br ZINC000408740380 1071630202 /nfs/dbraw/zinc/63/02/02/1071630202.db2.gz FXEDPVFTKMPRKL-SXGWCWSVSA-N -1 0 566.271 5.006 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)cc2I)cc1 ZINC000409000997 1071647075 /nfs/dbraw/zinc/64/70/75/1071647075.db2.gz OINUMAUVMNXSOZ-JMIUGGIZSA-N -1 0 716.722 6.718 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408755208 1071647106 /nfs/dbraw/zinc/64/71/06/1071647106.db2.gz QEAQQSXNCXXTIH-XKZIYDEJSA-N -1 0 616.331 6.943 40 30 KKEBRM O=C1NC(=Nc2ccc(Br)cc2)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408753347 1071657844 /nfs/dbraw/zinc/65/78/44/1071657844.db2.gz OAWXQGCYCOJXIQ-NTUHNPAUSA-N -1 0 533.039 5.571 40 30 KKEBRM Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S1 ZINC000408753270 1071659801 /nfs/dbraw/zinc/65/98/01/1071659801.db2.gz NJRYVRNOVWXTCY-VGOFMYFVSA-N -1 0 513.167 5.025 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc(I)c1OCC(=O)[O-] ZINC000408748826 1071688396 /nfs/dbraw/zinc/68/83/96/1071688396.db2.gz IEQUIASGCMRPCO-FRKPEAEDSA-N -1 0 593.226 5.352 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc1Br ZINC000408748730 1071689880 /nfs/dbraw/zinc/68/98/80/1071689880.db2.gz GXSIEBLMKJYPRC-LHHJGKSTSA-N -1 0 591.621 5.128 40 30 KKEBRM Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Br)c([O-])c(Br)c3)sc3c2CCCCCC3)c1 ZINC000409010577 1071690951 /nfs/dbraw/zinc/69/09/51/1071690951.db2.gz CGFNHAPUXIPADZ-IPPBACCNSA-N -1 0 590.381 8.257 40 30 KKEBRM O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408748209 1071694048 /nfs/dbraw/zinc/69/40/48/1071694048.db2.gz ACWLHDIKNBOWJH-WLRTZDKTSA-N -1 0 523.033 6.116 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408760414 1071697400 /nfs/dbraw/zinc/69/74/00/1071697400.db2.gz YILCRJYFMZLGKZ-HZHRSRAPSA-N -1 0 576.403 5.640 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C\c3cc(Br)cc(Cl)c3[O-])S2)cc(C)c1Br ZINC000408759068 1071702642 /nfs/dbraw/zinc/70/26/42/1071702642.db2.gz XGKBKWLPALQPNU-MKMNVTDBSA-N -1 0 516.642 6.079 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)S2)cc(C)c1Br ZINC000408759938 1071699346 /nfs/dbraw/zinc/69/93/46/1071699346.db2.gz OMZGNIFMGHJVOI-AUWJEWJLSA-N -1 0 574.194 5.176 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC ZINC000408759627 1071700500 /nfs/dbraw/zinc/70/05/00/1071700500.db2.gz IEPRCLNIDSTICU-GZTJUZNOSA-N -1 0 548.231 5.314 40 30 KKEBRM O=C([O-])COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1Br ZINC000409022519 1071719029 /nfs/dbraw/zinc/71/90/29/1071719029.db2.gz RAQZQHNJOWBUSM-CCVNUDIWSA-N -1 0 527.440 5.533 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409021553 1071722324 /nfs/dbraw/zinc/72/23/24/1071722324.db2.gz NDRFQAZZZUWDEV-FZPRHHONSA-N -1 0 666.537 7.520 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408765408 1071724578 /nfs/dbraw/zinc/72/45/78/1071724578.db2.gz PJNVLRMYHPWCEM-IWIPYMOSSA-N -1 0 537.037 6.470 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(Br)c3[O-])S2)cc(C)c1Br ZINC000408764795 1071727362 /nfs/dbraw/zinc/72/73/62/1071727362.db2.gz SRTFUGWSUWBIRV-NSIKDUERSA-N -1 0 516.642 6.079 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408762139 1071737167 /nfs/dbraw/zinc/73/71/67/1071737167.db2.gz CYBKKDHWTGQFBH-IWIPYMOSSA-N -1 0 628.488 6.421 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408762385 1071735501 /nfs/dbraw/zinc/73/55/01/1071735501.db2.gz OJUCTKNGNINKFK-XKZIYDEJSA-N -1 0 571.880 6.834 40 30 KKEBRM O=C([O-])c1cccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409280844 1071759643 /nfs/dbraw/zinc/75/96/43/1071759643.db2.gz LDTLDOBCGQXXQC-UHFFFAOYSA-N -1 0 515.525 5.969 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408772877 1071771639 /nfs/dbraw/zinc/77/16/39/1071771639.db2.gz NSUXBWOEOICOMW-OEAKJJBVSA-N -1 0 576.403 5.640 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409280379 1071772103 /nfs/dbraw/zinc/77/21/03/1071772103.db2.gz BFKJARLITQCZMR-AWEZNQCLSA-N -1 0 596.821 5.968 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Cl ZINC000409280124 1071772691 /nfs/dbraw/zinc/77/26/91/1071772691.db2.gz JQVJTQKQGGQVAG-UHFFFAOYSA-N -1 0 508.317 5.462 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409279680 1071779888 /nfs/dbraw/zinc/77/98/88/1071779888.db2.gz IKTNKAFOYZJZCO-UHFFFAOYSA-N -1 0 661.690 6.342 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408771650 1071778901 /nfs/dbraw/zinc/77/89/01/1071778901.db2.gz HXGFALORTAHFDH-ZVHZXABRSA-N -1 0 510.546 5.006 40 30 KKEBRM Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408771827 1071778977 /nfs/dbraw/zinc/77/89/77/1071778977.db2.gz KJUKWRSRBKGSER-UUYOSTAYSA-N -1 0 649.304 6.531 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)cc21 ZINC000409279727 1071780945 /nfs/dbraw/zinc/78/09/45/1071780945.db2.gz IAHWUBOGNAGLMF-UHFFFAOYSA-N -1 0 614.441 7.285 40 30 KKEBRM C[C@@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000409279740 1071781459 /nfs/dbraw/zinc/78/14/59/1071781459.db2.gz IANOWHKJFXHEHI-OAHLLOKOSA-N -1 0 532.350 5.306 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCC(=O)[O-])cc1C(C)C ZINC000409279526 1071782443 /nfs/dbraw/zinc/78/24/43/1071782443.db2.gz HHKBAXDEMNVBJQ-UHFFFAOYSA-N -1 0 544.564 5.148 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)o2)ccc1Cl ZINC000409279793 1071782511 /nfs/dbraw/zinc/78/25/11/1071782511.db2.gz JUUWMEXKAQOMED-UHFFFAOYSA-N -1 0 544.350 6.957 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409279095 1071790260 /nfs/dbraw/zinc/79/02/60/1071790260.db2.gz GQJGZZJKWHKMCM-SFHVURJKSA-N -1 0 534.012 5.891 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279434 1071786159 /nfs/dbraw/zinc/78/61/59/1071786159.db2.gz IUUSYIUHKGAPJQ-UHFFFAOYSA-N -1 0 745.346 8.165 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409279223 1071787075 /nfs/dbraw/zinc/78/70/75/1071787075.db2.gz HXMPSTLJLJQHGU-CQSZACIVSA-N -1 0 607.299 5.712 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409278646 1071797584 /nfs/dbraw/zinc/79/75/84/1071797584.db2.gz FGOCVEZJGJMHPT-UHFFFAOYSA-N -1 0 648.251 5.240 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)cc2I)cc1 ZINC000408768887 1071797600 /nfs/dbraw/zinc/79/76/00/1071797600.db2.gz LAMFMNFGFSQTTE-BKUYFWCQSA-N -1 0 556.381 5.460 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409278564 1071800674 /nfs/dbraw/zinc/80/06/74/1071800674.db2.gz GCARAYGUMPFYBI-LJQANCHMSA-N -1 0 503.599 5.306 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409278248 1071805482 /nfs/dbraw/zinc/80/54/82/1071805482.db2.gz CGQYOPWTJZTLAS-UHFFFAOYSA-N -1 0 598.881 6.494 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409278405 1071803229 /nfs/dbraw/zinc/80/32/29/1071803229.db2.gz DVHWWKFNMPNFSP-LJQANCHMSA-N -1 0 567.598 5.680 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)c1 ZINC000408767949 1071803895 /nfs/dbraw/zinc/80/38/95/1071803895.db2.gz RKVGFCAVODPDSE-UFFVCSGVSA-N -1 0 520.372 5.727 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C(C)C ZINC000409278463 1071804393 /nfs/dbraw/zinc/80/43/93/1071804393.db2.gz DFNHTNCEDYLOGK-UHFFFAOYSA-N -1 0 654.561 7.816 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409277786 1071812674 /nfs/dbraw/zinc/81/26/74/1071812674.db2.gz CPDAQOCQIQTEHL-UHFFFAOYSA-N -1 0 619.718 7.452 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409278117 1071808409 /nfs/dbraw/zinc/80/84/09/1071808409.db2.gz DHJYBFMJUXJVLA-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCC(=O)[O-])cc1 ZINC000409278182 1071809249 /nfs/dbraw/zinc/80/92/49/1071809249.db2.gz DAKVQESMERGJBM-UHFFFAOYSA-N -1 0 560.532 5.835 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c2)cc1C(C)C ZINC000409278024 1071811697 /nfs/dbraw/zinc/81/16/97/1071811697.db2.gz CLSUHBNOAJLNFT-SFHVURJKSA-N -1 0 765.386 6.837 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408782035 1071813626 /nfs/dbraw/zinc/81/36/26/1071813626.db2.gz VHRYCIQCPYHJHZ-FYJGNVAPSA-N -1 0 569.814 6.216 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409277405 1071821805 /nfs/dbraw/zinc/82/18/05/1071821805.db2.gz BTHFWSRZPUCPPE-UHFFFAOYSA-N -1 0 692.202 7.141 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1I ZINC000408780817 1071821848 /nfs/dbraw/zinc/82/18/48/1071821848.db2.gz LKIRYFOXBTWCBC-HPWCONDSSA-N -1 0 696.304 6.163 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c(I)c2)cc1C(C)C ZINC000409293994 1071823526 /nfs/dbraw/zinc/82/35/26/1071823526.db2.gz MTITYLBBGPSCSK-IBGZPJMESA-N -1 0 639.490 6.233 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408781103 1071819978 /nfs/dbraw/zinc/81/99/78/1071819978.db2.gz ACPJNGZYOYEKNJ-BUVRLJJBSA-N -1 0 500.526 5.117 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408780132 1071826090 /nfs/dbraw/zinc/82/60/90/1071826090.db2.gz SYPXYCOTMCDDKG-CIAFOILYSA-N -1 0 571.844 6.629 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CCCC2=O ZINC000409047199 1071826823 /nfs/dbraw/zinc/82/68/23/1071826823.db2.gz NRMBPOMZQOMTFH-UHFFFAOYSA-N -1 0 684.208 7.595 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408780033 1071826966 /nfs/dbraw/zinc/82/69/66/1071826966.db2.gz QNXCHLMHACRSCW-WSDLNYQXSA-N -1 0 600.296 7.038 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)[O-] ZINC000409293924 1071827625 /nfs/dbraw/zinc/82/76/25/1071827625.db2.gz KBIWEVQLDBZXHX-UHFFFAOYSA-N -1 0 582.794 5.580 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000409293695 1071828810 /nfs/dbraw/zinc/82/88/10/1071828810.db2.gz LKBNLDWOGQWSIW-UHFFFAOYSA-N -1 0 528.790 5.950 40 30 KKEBRM CC(C)COc1c(Br)cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409046500 1071830875 /nfs/dbraw/zinc/83/08/75/1071830875.db2.gz KYLCUSDOJGNHGU-UHFFFAOYSA-N -1 0 581.301 5.744 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408779218 1071831494 /nfs/dbraw/zinc/83/14/94/1071831494.db2.gz BYEAVJMKFINQLC-KEBDBYFISA-N -1 0 642.247 5.479 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409293524 1071831780 /nfs/dbraw/zinc/83/17/80/1071831780.db2.gz KPSNJJLMSNBVRJ-GOSISDBHSA-N -1 0 534.012 5.891 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408777719 1071841379 /nfs/dbraw/zinc/84/13/79/1071841379.db2.gz GWFLIKBGYQMPGP-OEAKJJBVSA-N -1 0 581.850 6.085 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2)c1 ZINC000409293506 1071837388 /nfs/dbraw/zinc/83/73/88/1071837388.db2.gz YTYISPOKOZFEIT-UHFFFAOYSA-N -1 0 594.421 6.732 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409293300 1071839140 /nfs/dbraw/zinc/83/91/40/1071839140.db2.gz XUECBYLGTMCFMI-ZDUSSCGKSA-N -1 0 601.240 6.613 40 30 KKEBRM O=C([O-])c1ccc(COc2cccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000409292956 1071843507 /nfs/dbraw/zinc/84/35/07/1071843507.db2.gz GEJOOBMUGNCPFO-UHFFFAOYSA-N -1 0 543.501 6.242 40 30 KKEBRM C=CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409044739 1071845568 /nfs/dbraw/zinc/84/55/68/1071845568.db2.gz CZUXJBQZZWOIBC-UHFFFAOYSA-N -1 0 621.366 6.547 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C)cc1C(C)C ZINC000409292459 1071855508 /nfs/dbraw/zinc/85/55/08/1071855508.db2.gz TYTPUWUWSWHSSZ-UHFFFAOYSA-N -1 0 654.767 8.071 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409292539 1071851584 /nfs/dbraw/zinc/85/15/84/1071851584.db2.gz UPXSQSBLWUWPTF-UHFFFAOYSA-N -1 0 613.306 6.378 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Br)cc1 ZINC000409292372 1071854285 /nfs/dbraw/zinc/85/42/85/1071854285.db2.gz GKHJKOWCCAVZFV-UHFFFAOYSA-N -1 0 656.842 7.658 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409043469 1071858790 /nfs/dbraw/zinc/85/87/90/1071858790.db2.gz QYOGZIPYGCKWSX-UHFFFAOYSA-N -1 0 560.861 6.724 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409291711 1071871047 /nfs/dbraw/zinc/87/10/47/1071871047.db2.gz BOYWSFQFGSGVSP-UHFFFAOYSA-N -1 0 618.524 6.159 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409291663 1071869509 /nfs/dbraw/zinc/86/95/09/1071869509.db2.gz QPDBCEOKWMEQEY-UHFFFAOYSA-N -1 0 618.225 5.231 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409291653 1071869830 /nfs/dbraw/zinc/86/98/30/1071869830.db2.gz BFKSUPAJXDJZDQ-UHFFFAOYSA-N -1 0 584.854 5.933 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408795600 1071881786 /nfs/dbraw/zinc/88/17/86/1071881786.db2.gz MDGSYTGABAGCOM-HOUKBVNESA-N -1 0 696.304 6.407 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408794986 1071883683 /nfs/dbraw/zinc/88/36/83/1071883683.db2.gz JUCXXHBBEFTBCE-DIENZIEHSA-N -1 0 667.294 6.704 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408795031 1071883935 /nfs/dbraw/zinc/88/39/35/1071883935.db2.gz KWHDUEQGULNYSU-BELQJWEKSA-N -1 0 577.873 7.166 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409290907 1071884262 /nfs/dbraw/zinc/88/42/62/1071884262.db2.gz VMYDNNKKDVLNAB-UHFFFAOYSA-N -1 0 529.177 6.467 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408795847 1071881138 /nfs/dbraw/zinc/88/11/38/1071881138.db2.gz WJPZGCFNEUJRQH-CTMKFROTSA-N -1 0 601.906 7.012 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408794742 1071885103 /nfs/dbraw/zinc/88/51/03/1071885103.db2.gz SROGCBDMFAUIRQ-FWGBRMSSSA-N -1 0 585.451 6.498 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409291032 1071886635 /nfs/dbraw/zinc/88/66/35/1071886635.db2.gz BOSJMSBRFDNHMG-OAHLLOKOSA-N -1 0 655.299 6.468 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792618 1071888255 /nfs/dbraw/zinc/88/82/55/1071888255.db2.gz BIKQXEFEQNJKPM-CWCMFYRQSA-N -1 0 563.462 7.658 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408791924 1071888775 /nfs/dbraw/zinc/88/87/75/1071888775.db2.gz FJKCKRZTOAWIPW-SLOBHAQXSA-N -1 0 568.007 6.158 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409290880 1071888973 /nfs/dbraw/zinc/88/89/73/1071888973.db2.gz VKIRWYFMTKGMHZ-UHFFFAOYSA-N -1 0 641.080 7.225 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000408790533 1071893385 /nfs/dbraw/zinc/89/33/85/1071893385.db2.gz WVOITAJPBBKIHT-DEOSSOPVSA-N -1 0 590.426 5.476 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408790347 1071893431 /nfs/dbraw/zinc/89/34/31/1071893431.db2.gz QOPPMBAEQXKDMP-YZSQISJMSA-N -1 0 510.590 5.676 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cn([C@@H](C)C(=O)[O-])c4ccccc34)cc21 ZINC000409290596 1071894832 /nfs/dbraw/zinc/89/48/32/1071894832.db2.gz MKXSXPVSUFHCEP-KRWDZBQOSA-N -1 0 506.518 5.301 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3\SC(=Nc4ccc(Br)cc4)NC3=O)cc2)c1 ZINC000408789150 1071896580 /nfs/dbraw/zinc/89/65/80/1071896580.db2.gz JVONYRKZHRNIRJ-BKUYFWCQSA-N -1 0 509.381 5.618 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408788966 1071896592 /nfs/dbraw/zinc/89/65/92/1071896592.db2.gz GTLKCBYPBLNEFX-RJRBAZHUSA-N -1 0 615.405 5.710 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408789231 1071896685 /nfs/dbraw/zinc/89/66/85/1071896685.db2.gz OQKAATPTXZVHIV-HMGGVMEDSA-N -1 0 559.043 7.013 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCC(=O)[O-])cc1C(C)C ZINC000409289966 1071904842 /nfs/dbraw/zinc/90/48/42/1071904842.db2.gz PZRYPMHFQLAIES-UHFFFAOYSA-N -1 0 544.564 5.148 40 30 KKEBRM O=C([O-])c1ccc(COc2cccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)c2)cc1 ZINC000409290277 1071900035 /nfs/dbraw/zinc/90/00/35/1071900035.db2.gz KUAPYNSJLNRQNR-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)[O-] ZINC000409290066 1071901542 /nfs/dbraw/zinc/90/15/42/1071901542.db2.gz JRYZUYLKPCOAII-UHFFFAOYSA-N -1 0 576.325 5.199 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289593 1071907857 /nfs/dbraw/zinc/90/78/57/1071907857.db2.gz HFQBGQLYTUIYBO-UHFFFAOYSA-N -1 0 635.696 6.051 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409289333 1071913912 /nfs/dbraw/zinc/91/39/12/1071913912.db2.gz LZTTUQWUNFGGHH-KRWDZBQOSA-N -1 0 687.385 6.772 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Cl)C(=O)[O-] ZINC000409289640 1071908429 /nfs/dbraw/zinc/90/84/29/1071908429.db2.gz ODMTXHAUGWVQSG-CQSZACIVSA-N -1 0 515.875 5.470 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2I)c1 ZINC000409289298 1071912943 /nfs/dbraw/zinc/91/29/43/1071912943.db2.gz FQZORBKRQPULAZ-UHFFFAOYSA-N -1 0 675.866 7.227 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289368 1071914505 /nfs/dbraw/zinc/91/45/05/1071914505.db2.gz MFIHKGYKPLQISY-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409289168 1071916117 /nfs/dbraw/zinc/91/61/17/1071916117.db2.gz LEDREFZFAMAYSG-FQEVSTJZSA-N -1 0 636.543 6.789 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409056644 1071920278 /nfs/dbraw/zinc/92/02/78/1071920278.db2.gz HQFVJUORKADOGO-IQEKVASTSA-N -1 0 577.102 7.368 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409289211 1071916649 /nfs/dbraw/zinc/91/66/49/1071916649.db2.gz LJPSDHVLNIOTKA-MRXNPFEDSA-N -1 0 561.978 5.605 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)C2=C1CCCC2=O ZINC000409054427 1071916767 /nfs/dbraw/zinc/91/67/67/1071916767.db2.gz FYSQBGVDFHLTAS-UHFFFAOYSA-N -1 0 576.476 7.224 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409056213 1071923138 /nfs/dbraw/zinc/92/31/38/1071923138.db2.gz FSPTYPQLXLUYOO-GZSQZJSPSA-N -1 0 518.334 6.094 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(I)c1OC(C)C ZINC000409056256 1071923561 /nfs/dbraw/zinc/92/35/61/1071923561.db2.gz GHQNUIZHKKEXIB-VDVOPKRNSA-N -1 0 552.390 5.019 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OCC(C)C ZINC000409054604 1071933052 /nfs/dbraw/zinc/93/30/52/1071933052.db2.gz ADVFWWXFPASXLV-KZINRLMESA-N -1 0 547.471 6.205 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409287580 1071942269 /nfs/dbraw/zinc/94/22/69/1071942269.db2.gz WVHZEKWZLIZFOW-UHFFFAOYSA-N -1 0 587.554 6.640 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409287667 1071943774 /nfs/dbraw/zinc/94/37/74/1071943774.db2.gz XVOUJGUHQFZDAB-GOSISDBHSA-N -1 0 565.548 5.944 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCC(=O)[O-] ZINC000409296731 1071959922 /nfs/dbraw/zinc/95/99/22/1071959922.db2.gz RDSXXVAHAFAXEE-UHFFFAOYSA-N -1 0 538.343 5.471 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2Br)c1 ZINC000409296041 1071967591 /nfs/dbraw/zinc/96/75/91/1071967591.db2.gz GWMNQSMHCCAWIM-UHFFFAOYSA-N -1 0 707.762 8.148 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409296104 1071968639 /nfs/dbraw/zinc/96/86/39/1071968639.db2.gz HCEDIIYIJPIEPJ-UHFFFAOYSA-N -1 0 690.332 6.445 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409048391 1071970457 /nfs/dbraw/zinc/97/04/57/1071970457.db2.gz SUMDEHINGSWBQY-UHFFFAOYSA-N -1 0 705.871 8.214 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409295977 1071971118 /nfs/dbraw/zinc/97/11/18/1071971118.db2.gz PSVPREBQACAEOK-LLVKDONJSA-N -1 0 646.130 5.550 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)cc1C(C)C ZINC000409295672 1071976122 /nfs/dbraw/zinc/97/61/22/1071976122.db2.gz FXGVLOBENORPNI-UHFFFAOYSA-N -1 0 827.457 8.263 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409295669 1071976200 /nfs/dbraw/zinc/97/62/00/1071976200.db2.gz OWOOGILWHFNXIG-UHFFFAOYSA-N -1 0 636.661 6.580 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000409295680 1071976743 /nfs/dbraw/zinc/97/67/43/1071976743.db2.gz RHBIMKOTLXANDL-UHFFFAOYSA-N -1 0 537.881 6.576 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059525 1071979831 /nfs/dbraw/zinc/97/98/31/1071979831.db2.gz QHQAGDNIHIXRSH-AQDZEODZSA-N -1 0 592.298 7.267 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409295362 1071981004 /nfs/dbraw/zinc/98/10/04/1071981004.db2.gz 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/nfs/dbraw/zinc/99/48/62/1071994862.db2.gz ORDIROLBLHNCRG-PCLIKHOPSA-N -1 0 547.007 5.721 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409066470 1071995243 /nfs/dbraw/zinc/99/52/43/1071995243.db2.gz NEDSHXCHQBMCDW-UHFFFAOYSA-N -1 0 656.617 8.342 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065081 1071995931 /nfs/dbraw/zinc/99/59/31/1071995931.db2.gz HERJXBGMTJUEFX-UHFFFAOYSA-N -1 0 668.230 8.902 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409066664 1072001149 /nfs/dbraw/zinc/00/11/49/1072001149.db2.gz PEYLPTRWTXQBAS-BUVRLJJBSA-N -1 0 561.978 5.621 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409066739 1072001610 /nfs/dbraw/zinc/00/16/10/1072001610.db2.gz BIBLROYYGTXQDU-ZVHZXABRSA-N -1 0 545.523 5.107 40 30 KKEBRM 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PNMIOFARBPGSCC-LPYMAVHISA-N -1 0 520.944 5.462 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067188 1071998640 /nfs/dbraw/zinc/99/86/40/1071998640.db2.gz BWQYPKOOVMCDAC-UHFFFAOYSA-N -1 0 632.562 6.531 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409067201 1071998652 /nfs/dbraw/zinc/99/86/52/1071998652.db2.gz OGHWEUWWFVWQRR-LPYMAVHISA-N -1 0 596.423 6.274 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409294149 1072000049 /nfs/dbraw/zinc/00/00/49/1072000049.db2.gz LKCZWWWEPAJEMA-UHFFFAOYSA-N -1 0 515.367 5.051 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409065477 1072008593 /nfs/dbraw/zinc/00/85/93/1072008593.db2.gz MCKVGPJPDPOOKV-UHFFFAOYSA-N -1 0 606.159 7.721 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409065371 1072009939 /nfs/dbraw/zinc/00/99/39/1072009939.db2.gz LBGLVCNXKPFISL-YZSQISJMSA-N -1 0 567.041 6.784 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Br)cc1 ZINC000409065593 1072009139 /nfs/dbraw/zinc/00/91/39/1072009139.db2.gz HVRIOAVXEIHHEB-UHFFFAOYSA-N -1 0 636.583 7.197 40 30 KKEBRM Cc1ccc(COc2c(Cl)cc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000409064621 1072013200 /nfs/dbraw/zinc/01/32/00/1072013200.db2.gz IEKPPEWGRWPVRD-UHFFFAOYSA-N -1 0 554.470 6.769 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409306305 1072014790 /nfs/dbraw/zinc/01/47/90/1072014790.db2.gz PMTCSOBACKUOMZ-CQSZACIVSA-N -1 0 688.272 5.920 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409306311 1072014831 /nfs/dbraw/zinc/01/48/31/1072014831.db2.gz PVXXATHCUZDPHG-UHFFFAOYSA-N -1 0 638.041 5.079 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409065178 1072010432 /nfs/dbraw/zinc/01/04/32/1072010432.db2.gz GTEJPGMHBODTON-UHFFFAOYSA-N -1 0 582.524 7.586 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409065025 1072012302 /nfs/dbraw/zinc/01/23/02/1072012302.db2.gz KJGLWCIFMOVJKR-HZHRSRAPSA-N -1 0 547.405 5.432 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409065031 1072012343 /nfs/dbraw/zinc/01/23/43/1072012343.db2.gz KKYIKGMMEHPPPJ-UHFFFAOYSA-N -1 0 646.589 6.921 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc(Cl)c2)C2=C1CCCC2=O ZINC000409064034 1072017194 /nfs/dbraw/zinc/01/71/94/1072017194.db2.gz FWFLZSXIPNYAKQ-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM Cc1ccc(COc2ccc(Cl)cc2C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409064125 1072017966 /nfs/dbraw/zinc/01/79/66/1072017966.db2.gz GJWODQAGDHNJKH-UHFFFAOYSA-N -1 0 520.025 6.116 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C2=C1CCCC2=O ZINC000409063875 1072018018 /nfs/dbraw/zinc/01/80/18/1072018018.db2.gz AIHOVXJYSCDEFU-UHFFFAOYSA-N -1 0 574.888 7.114 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)cc1C(C)C ZINC000409305965 1072018065 /nfs/dbraw/zinc/01/80/65/1072018065.db2.gz OUDQCTQWCLFNPZ-UHFFFAOYSA-N -1 0 701.561 7.658 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O[C@H](C)C(=O)[O-])cc21 ZINC000409306031 1072019054 /nfs/dbraw/zinc/01/90/54/1072019054.db2.gz YEPAZZIMNMNIMX-OAHLLOKOSA-N -1 0 517.925 5.206 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])cc1 ZINC000409063833 1072019500 /nfs/dbraw/zinc/01/95/00/1072019500.db2.gz ADFXDSXUSAEINO-UHFFFAOYSA-N -1 0 527.661 6.078 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409063360 1072021732 /nfs/dbraw/zinc/02/17/32/1072021732.db2.gz ALOZPNOGRWIPSO-UHFFFAOYSA-N -1 0 564.506 6.179 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)[O-] ZINC000409305368 1072025140 /nfs/dbraw/zinc/02/51/40/1072025140.db2.gz MLARUWUTJQHHJJ-UHFFFAOYSA-N -1 0 590.352 5.589 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409061403 1072028939 /nfs/dbraw/zinc/02/89/39/1072028939.db2.gz WYLRDYKYFZYJHH-FLNDSNKGSA-N -1 0 587.495 7.503 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1C(C)C ZINC000409304937 1072031080 /nfs/dbraw/zinc/03/10/80/1072031080.db2.gz MGTBVCHLVFROSQ-UHFFFAOYSA-N -1 0 640.136 7.715 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409304988 1072031542 /nfs/dbraw/zinc/03/15/42/1072031542.db2.gz LHRXPJBFAJZQBD-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304844 1072033397 /nfs/dbraw/zinc/03/33/97/1072033397.db2.gz SEHHVPVNEMPRKQ-UHFFFAOYSA-N -1 0 564.436 5.670 40 30 KKEBRM CCCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC ZINC000409060338 1072035285 /nfs/dbraw/zinc/03/52/85/1072035285.db2.gz QBHHGTUMTALCOJ-MKMXVRELSA-N -1 0 566.417 5.411 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409304478 1072036580 /nfs/dbraw/zinc/03/65/80/1072036580.db2.gz RIZANLMQOZDGGY-UHFFFAOYSA-N -1 0 636.964 6.377 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccccc1Cl ZINC000409067289 1072039481 /nfs/dbraw/zinc/03/94/81/1072039481.db2.gz CGAOIOBCKZCRDY-UHFFFAOYSA-N -1 0 618.170 7.426 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000409304423 1072039669 /nfs/dbraw/zinc/03/96/69/1072039669.db2.gz JZHOTESGROXHOL-CQSZACIVSA-N -1 0 532.896 5.105 40 30 KKEBRM C=CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000409074463 1072040463 /nfs/dbraw/zinc/04/04/63/1072040463.db2.gz ZPYCOCPCRQZJPZ-NLRVBDNBSA-N -1 0 524.573 5.234 40 30 KKEBRM C[C@@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000409304322 1072042469 /nfs/dbraw/zinc/04/24/69/1072042469.db2.gz JQOLIBSHNVWLGE-INIZCTEOSA-N -1 0 504.468 5.565 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409304107 1072043447 /nfs/dbraw/zinc/04/34/47/1072043447.db2.gz KEOCXLRNDUAIKZ-MRXNPFEDSA-N -1 0 576.403 5.705 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409076983 1072045936 /nfs/dbraw/zinc/04/59/36/1072045936.db2.gz CVRRDRDNLUJDEN-DHYKMOEVSA-N -1 0 570.711 7.450 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304025 1072046300 /nfs/dbraw/zinc/04/63/00/1072046300.db2.gz IXOYXVJAQOIOEG-UHFFFAOYSA-N -1 0 652.423 7.013 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(I)c([O-])c(I)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409076738 1072046437 /nfs/dbraw/zinc/04/64/37/1072046437.db2.gz BOWNBFNEFYVPEA-RNWQJLHQSA-N -1 0 684.381 7.817 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409076095 1072055324 /nfs/dbraw/zinc/05/53/24/1072055324.db2.gz XSSOGNVETDRYGA-UHFFFAOYSA-N -1 0 630.996 8.386 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)c([O-])c(I)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409076517 1072050926 /nfs/dbraw/zinc/05/09/26/1072050926.db2.gz BDCDVGGNSZSGRN-BNWUJJENSA-N -1 0 671.826 8.628 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409303167 1072055445 /nfs/dbraw/zinc/05/54/45/1072055445.db2.gz LXJXFCQZFRQCOY-UHFFFAOYSA-N -1 0 554.828 5.924 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409303177 1072055455 /nfs/dbraw/zinc/05/54/55/1072055455.db2.gz LYSXBLHWFJHZQE-UHFFFAOYSA-N -1 0 577.479 5.727 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076307 1072051808 /nfs/dbraw/zinc/05/18/08/1072051808.db2.gz AOUKTOBOBIJDKJ-UHFFFAOYSA-N -1 0 689.415 5.407 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)n(-c4ccc(O[C@@H](C)C(=O)[O-])cc4)c3C)cc21 ZINC000409303520 1072052104 /nfs/dbraw/zinc/05/21/04/1072052104.db2.gz HRMOFAXQDMNBAJ-NRFANRHFSA-N -1 0 576.609 5.960 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409075909 1072056180 /nfs/dbraw/zinc/05/61/80/1072056180.db2.gz VGPUKTWOKLPTKD-UHFFFAOYSA-N -1 0 565.707 5.609 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1 ZINC000409075396 1072062443 /nfs/dbraw/zinc/06/24/43/1072062443.db2.gz YEUYEAGFOTZURO-UHFFFAOYSA-N -1 0 536.024 5.816 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409075776 1072058109 /nfs/dbraw/zinc/05/81/09/1072058109.db2.gz UBFDCNAKCWCJEQ-UHFFFAOYSA-N -1 0 685.453 7.951 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409075188 1072062868 /nfs/dbraw/zinc/06/28/68/1072062868.db2.gz PMCRFRAEIZMQLC-LFVJCYFKSA-N -1 0 500.526 5.198 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccccc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409075258 1072061046 /nfs/dbraw/zinc/06/10/46/1072061046.db2.gz QFRAHOGJVKRTNW-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409302762 1072061689 /nfs/dbraw/zinc/06/16/89/1072061689.db2.gz KACIDLYVTRADAO-MRXNPFEDSA-N -1 0 691.804 7.647 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1 ZINC000409302593 1072063295 /nfs/dbraw/zinc/06/32/95/1072063295.db2.gz GMLKTKWYLMSDJP-UHFFFAOYSA-N -1 0 673.317 7.494 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409075140 1072062401 /nfs/dbraw/zinc/06/24/01/1072062401.db2.gz VFLZELMUVALRCO-UHFFFAOYSA-N -1 0 703.443 8.090 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409074983 1072063430 /nfs/dbraw/zinc/06/34/30/1072063430.db2.gz WCFNWUFWBHOTKY-UHFFFAOYSA-N -1 0 639.381 6.007 40 30 KKEBRM CCCOc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409074105 1072069579 /nfs/dbraw/zinc/06/95/79/1072069579.db2.gz KEPVKVGNBOSTOG-UHFFFAOYSA-N -1 0 581.301 5.889 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409074098 1072069586 /nfs/dbraw/zinc/06/95/86/1072069586.db2.gz XWDLQNNCTOHNCS-UHFFFAOYSA-N -1 0 600.668 6.189 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)[O-] ZINC000409074893 1072065207 /nfs/dbraw/zinc/06/52/07/1072065207.db2.gz 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/nfs/dbraw/zinc/07/17/22/1072071722.db2.gz FHHIKGQULOAVPX-UHFFFAOYSA-N -1 0 515.525 5.969 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409073807 1072071712 /nfs/dbraw/zinc/07/17/12/1072071712.db2.gz IQOCLTCMCROOPH-JVWAILMASA-N -1 0 567.041 6.784 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409073660 1072072699 /nfs/dbraw/zinc/07/26/99/1072072699.db2.gz QYKQHQFEJBIKNZ-MTDXEUNCSA-N -1 0 576.605 5.609 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073745 1072073358 /nfs/dbraw/zinc/07/33/58/1072073358.db2.gz XINYGBAOWQXPRW-UHFFFAOYSA-N -1 0 668.230 8.554 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409073525 1072073690 /nfs/dbraw/zinc/07/36/90/1072073690.db2.gz ZQOGLGQHVDNHPJ-HZHRSRAPSA-N -1 0 609.904 6.784 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073595 1072074801 /nfs/dbraw/zinc/07/48/01/1072074801.db2.gz WHNRZOATPWLQSR-UHFFFAOYSA-N -1 0 578.105 6.989 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409073388 1072075165 /nfs/dbraw/zinc/07/51/65/1072075165.db2.gz MQJPJXAJBYMWDP-UHFFFAOYSA-N -1 0 721.464 6.750 40 30 KKEBRM Cc1ccc(COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1 ZINC000409073372 1072075207 /nfs/dbraw/zinc/07/52/07/1072075207.db2.gz YIYUOQYUFDQDGS-UHFFFAOYSA-N -1 0 576.133 7.388 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409073427 1072075794 /nfs/dbraw/zinc/07/57/94/1072075794.db2.gz YTDWXYVGABWZAL-UHFFFAOYSA-N -1 0 558.433 6.600 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(Br)c3O[C@@H](C)C(=O)[O-])cc21 ZINC000409301834 1072075823 /nfs/dbraw/zinc/07/58/23/1072075823.db2.gz BJGBZVOKNHCADU-AWEZNQCLSA-N -1 0 596.821 5.968 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(Br)c3O[C@H](C)C(=O)[O-])cc21 ZINC000409301836 1072075905 /nfs/dbraw/zinc/07/59/05/1072075905.db2.gz BJGBZVOKNHCADU-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)cc21 ZINC000409301657 1072077214 /nfs/dbraw/zinc/07/72/14/1072077214.db2.gz CZARSWDWGAHIIN-UHFFFAOYSA-N -1 0 701.473 6.591 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409073165 1072077993 /nfs/dbraw/zinc/07/79/93/1072077993.db2.gz PHNAAZOANMEAPQ-HYARGMPZSA-N -1 0 518.953 5.028 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409073004 1072079057 /nfs/dbraw/zinc/07/90/57/1072079057.db2.gz UNGJZEWVKXYNPV-OEAKJJBVSA-N -1 0 537.399 5.976 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409301059 1072084147 /nfs/dbraw/zinc/08/41/47/1072084147.db2.gz CMRNPQLQZZYXEU-CQSZACIVSA-N -1 0 577.347 5.215 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3cccc(F)c3)c(Cl)c2)C2=C1CCCC2=O ZINC000409072789 1072079505 /nfs/dbraw/zinc/07/95/05/1072079505.db2.gz DOCSJSUZZVIJHA-UHFFFAOYSA-N -1 0 523.988 5.946 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000409072839 1072079925 /nfs/dbraw/zinc/07/99/25/1072079925.db2.gz LJMWLOBVVGFNHZ-UHFFFAOYSA-N -1 0 703.443 8.090 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000409301319 1072080296 /nfs/dbraw/zinc/08/02/96/1072080296.db2.gz DYBMUSONNKDMBM-QWHCGFSZSA-N -1 0 506.784 5.060 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072627 1072080350 /nfs/dbraw/zinc/08/03/50/1072080350.db2.gz JYFUVMDRSPQUQS-OEAKJJBVSA-N -1 0 615.491 5.863 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409301389 1072080949 /nfs/dbraw/zinc/08/09/49/1072080949.db2.gz CGFXQQARHKCRDT-CYBMUJFWSA-N -1 0 631.266 6.622 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409301168 1072081836 /nfs/dbraw/zinc/08/18/36/1072081836.db2.gz BNMMRVMPJWHCOT-LLVKDONJSA-N -1 0 601.679 5.270 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OC ZINC000409072361 1072082622 /nfs/dbraw/zinc/08/26/22/1072082622.db2.gz JVFKUPPLXSLYGP-UHFFFAOYSA-N -1 0 521.654 5.593 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409072420 1072083047 /nfs/dbraw/zinc/08/30/47/1072083047.db2.gz VKGZSHNYNUFMEU-UHFFFAOYSA-N -1 0 665.441 9.040 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409072204 1072083451 /nfs/dbraw/zinc/08/34/51/1072083451.db2.gz 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7.086 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409312764 1072158579 /nfs/dbraw/zinc/15/85/79/1072158579.db2.gz MJEFQUDYQMLSSG-OAHLLOKOSA-N -1 0 613.852 6.394 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1 ZINC000409312458 1072161616 /nfs/dbraw/zinc/16/16/16/1072161616.db2.gz LFLRBEKRTFVDTF-UHFFFAOYSA-N -1 0 639.344 7.129 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409311309 1072174531 /nfs/dbraw/zinc/17/45/31/1072174531.db2.gz ZGQHVIQABNWHLW-UHFFFAOYSA-N -1 0 716.370 6.979 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409085334 1072177806 /nfs/dbraw/zinc/17/78/06/1072177806.db2.gz ZGJFLULSZQYWHH-ZVHZXABRSA-N -1 0 548.998 6.160 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409310729 1072180578 /nfs/dbraw/zinc/18/05/78/1072180578.db2.gz COXBOYIACHTNAV-UHFFFAOYSA-N -1 0 663.002 7.082 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409085013 1072184308 /nfs/dbraw/zinc/18/43/08/1072184308.db2.gz WIJGDIYQNDDQBX-KURMUJMGSA-N -1 0 575.130 8.822 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084659 1072186362 /nfs/dbraw/zinc/18/63/62/1072186362.db2.gz YHQZFGSFTFWADM-UHFFFAOYSA-N -1 0 691.099 8.228 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(I)c([O-])c(I)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084631 1072186416 /nfs/dbraw/zinc/18/64/16/1072186416.db2.gz PVKLLUWXHBPJPJ-BNWUJJENSA-N -1 0 718.826 8.470 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 ZINC000409084469 1072187980 /nfs/dbraw/zinc/18/79/80/1072187980.db2.gz XZQRXFAFQKPOJJ-CRMQTKGUSA-N -1 0 512.679 6.893 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409309091 1072197040 /nfs/dbraw/zinc/19/70/40/1072197040.db2.gz BHNMWVAHIYTKOZ-GOSISDBHSA-N -1 0 578.463 6.231 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)[O-])c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409083861 1072197652 /nfs/dbraw/zinc/19/76/52/1072197652.db2.gz VXECPWUIKWXPIY-KQPIQEFLSA-N -1 0 569.521 7.128 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409308919 1072198761 /nfs/dbraw/zinc/19/87/61/1072198761.db2.gz ZGSZUNIAYAGVIE-MRXNPFEDSA-N -1 0 623.403 5.547 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409083631 1072198760 /nfs/dbraw/zinc/19/87/60/1072198760.db2.gz TYMPFPMDOCXQGX-ZKRFULCVSA-N -1 0 672.417 10.003 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409308816 1072201140 /nfs/dbraw/zinc/20/11/40/1072201140.db2.gz ZAFKNAYLOVENKB-UHFFFAOYSA-N -1 0 598.881 6.278 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)[O-] ZINC000409083355 1072201640 /nfs/dbraw/zinc/20/16/40/1072201640.db2.gz VDOQJZZKBXMEGP-WSGZFUHPSA-N -1 0 514.603 6.086 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(I)c1OCC(=O)[O-] ZINC000409083199 1072202828 /nfs/dbraw/zinc/20/28/28/1072202828.db2.gz KSFCDRDQCIBPSA-DFLSZHIOSA-N -1 0 552.434 5.598 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082992 1072204331 /nfs/dbraw/zinc/20/43/31/1072204331.db2.gz UORMYFUNGLMJQX-UHFFFAOYSA-N -1 0 600.546 6.303 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409308124 1072208748 /nfs/dbraw/zinc/20/87/48/1072208748.db2.gz WGXSXULNASRNNF-HXUWFJFHSA-N -1 0 581.028 6.605 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1C(C)C ZINC000409307978 1072211053 /nfs/dbraw/zinc/21/10/53/1072211053.db2.gz VOOOENMQJPGLHJ-UHFFFAOYSA-N -1 0 535.600 6.734 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OCC)c1OCC(=O)[O-] ZINC000409308067 1072212484 /nfs/dbraw/zinc/21/24/84/1072212484.db2.gz WAONLKBQMZHTJE-UHFFFAOYSA-N -1 0 551.521 5.555 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409081951 1072218841 /nfs/dbraw/zinc/21/88/41/1072218841.db2.gz OWNUPSJEHGWCKT-UHFFFAOYSA-N -1 0 668.497 6.828 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)cc(Br)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409081778 1072220441 /nfs/dbraw/zinc/22/04/41/1072220441.db2.gz HZRMCEHGFCDBCW-DBUPPGCOSA-N -1 0 594.369 7.403 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000409307443 1072221458 /nfs/dbraw/zinc/22/14/58/1072221458.db2.gz USSYHGRNZQYETC-AWEZNQCLSA-N -1 0 566.795 5.960 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409307499 1072222433 /nfs/dbraw/zinc/22/24/33/1072222433.db2.gz STCSOUJSTQXZHB-QGZVFWFLSA-N -1 0 579.009 5.800 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081285 1072223953 /nfs/dbraw/zinc/22/39/53/1072223953.db2.gz NLGVUNZROPGQGK-UHFFFAOYSA-N -1 0 682.524 7.218 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081333 1072224943 /nfs/dbraw/zinc/22/49/43/1072224943.db2.gz NQIQBOBTIHDRRY-FYJGNVAPSA-N -1 0 599.493 6.339 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC000409316503 1072230446 /nfs/dbraw/zinc/23/04/46/1072230446.db2.gz YMXNBLJANYBNES-LBPRGKRZSA-N -1 0 724.131 5.445 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409316890 1072226352 /nfs/dbraw/zinc/22/63/52/1072226352.db2.gz MXTZJVJWCLFMBS-UHFFFAOYSA-N -1 0 786.202 6.870 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409316979 1072227293 /nfs/dbraw/zinc/22/72/93/1072227293.db2.gz NDUNQOJSTGGWDB-MRXNPFEDSA-N -1 0 579.407 5.740 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409316690 1072229490 /nfs/dbraw/zinc/22/94/90/1072229490.db2.gz MWVQISSEYRBULF-AWEZNQCLSA-N -1 0 700.222 6.865 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409315491 1072239694 /nfs/dbraw/zinc/23/96/94/1072239694.db2.gz VQXQWDCUAIAKPO-UHFFFAOYSA-N -1 0 565.380 5.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409316108 1072234784 /nfs/dbraw/zinc/23/47/84/1072234784.db2.gz PEWJITWYQGECKS-MRXNPFEDSA-N -1 0 522.399 5.389 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=NNc3ccc(C(F)(F)F)cn3)cc2Br)cc1 ZINC000409095734 1072237554 /nfs/dbraw/zinc/23/75/54/1072237554.db2.gz IMYOBFMIHWPVKN-HIUVJMHLSA-N -1 0 573.163 6.349 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409316313 1072231401 /nfs/dbraw/zinc/23/14/01/1072231401.db2.gz XGOIPPGCYJAGQO-SNVBAGLBSA-N -1 0 513.617 5.676 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)[O-])ccc2ccccc21 ZINC000409327257 1072240978 /nfs/dbraw/zinc/24/09/78/1072240978.db2.gz RUGXKIFQYSGFKU-OAHLLOKOSA-N -1 0 508.372 5.171 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409327122 1072241533 /nfs/dbraw/zinc/24/15/33/1072241533.db2.gz QCMKCTBGXMXSEY-UHFFFAOYSA-N -1 0 649.498 6.673 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC000409325708 1072255089 /nfs/dbraw/zinc/25/50/89/1072255089.db2.gz ZWLCJMLUQLMFKR-CQSZACIVSA-N -1 0 642.288 5.239 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000409326055 1072252250 /nfs/dbraw/zinc/25/22/50/1072252250.db2.gz GDQXIKFHEYUDTB-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Br)c([O-])c([N+](=O)[O-])c1)CCCC2 ZINC000409093387 1072252262 /nfs/dbraw/zinc/25/22/62/1072252262.db2.gz ZKIHGDZMBQLNAS-VROXFSQNSA-N -1 0 504.362 5.277 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409093123 1072256106 /nfs/dbraw/zinc/25/61/06/1072256106.db2.gz XUAPJERASDOUNF-CZRPQPECSA-N -1 0 575.130 8.822 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)cc(Cl)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409092969 1072257551 /nfs/dbraw/zinc/25/75/51/1072257551.db2.gz YGWFVRHFMMLDSW-RNWQJLHQSA-N -1 0 545.930 8.024 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Br)c1 ZINC000409324955 1072260633 /nfs/dbraw/zinc/26/06/33/1072260633.db2.gz WEDGJSVVNPGEOX-UHFFFAOYSA-N -1 0 718.240 7.891 40 30 KKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)c1[O-] ZINC000409092366 1072262560 /nfs/dbraw/zinc/26/25/60/1072262560.db2.gz UZYRTQUIUWEBKC-UVHCEKQDSA-N -1 0 511.600 5.795 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000409324659 1072262858 /nfs/dbraw/zinc/26/28/58/1072262858.db2.gz UHNLWHLOGCYETA-OAHLLOKOSA-N -1 0 535.442 5.969 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409323614 1072272335 /nfs/dbraw/zinc/27/23/35/1072272335.db2.gz OPWPHDUOYPMZHB-LBPRGKRZSA-N -1 0 615.706 5.660 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409323128 1072278126 /nfs/dbraw/zinc/27/81/26/1072278126.db2.gz NMNSDKPSKGJVAQ-LBPRGKRZSA-N -1 0 660.157 5.942 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409090287 1072283477 /nfs/dbraw/zinc/28/34/77/1072283477.db2.gz MBKCZSINOKRVDF-CXBJSSAXSA-N -1 0 635.182 8.112 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000409089887 1072285296 /nfs/dbraw/zinc/28/52/96/1072285296.db2.gz KVBGNSGAHVSOCQ-YEPNVVQFSA-N -1 0 575.473 8.079 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409089779 1072286723 /nfs/dbraw/zinc/28/67/23/1072286723.db2.gz KACCNLVFZNFBFN-MZFHPOMPSA-N -1 0 537.081 7.461 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409089835 1072287108 /nfs/dbraw/zinc/28/71/08/1072287108.db2.gz KKVKACYJRGSEKP-HDUFTGJMSA-N -1 0 600.737 7.459 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2)c1 ZINC000409321554 1072289515 /nfs/dbraw/zinc/28/95/15/1072289515.db2.gz GXIVRNPMLSARMT-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409321572 1072289890 /nfs/dbraw/zinc/28/98/90/1072289890.db2.gz GVPBDHDKDMRGBV-GOSISDBHSA-N -1 0 582.495 6.068 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409089199 1072291661 /nfs/dbraw/zinc/29/16/61/1072291661.db2.gz HXVJAPCBJRMNCN-UHFFFAOYSA-N -1 0 625.383 7.211 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC000409321121 1072293501 /nfs/dbraw/zinc/29/35/01/1072293501.db2.gz GRDSTOYNDWYBBQ-GFCCVEGCSA-N -1 0 660.157 5.769 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409321139 1072293998 /nfs/dbraw/zinc/29/39/98/1072293998.db2.gz GTGCWQWWIBVHQM-UHFFFAOYSA-N -1 0 644.566 7.493 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409320866 1072297009 /nfs/dbraw/zinc/29/70/09/1072297009.db2.gz CRNZTTCKNHZYJR-UHFFFAOYSA-N -1 0 644.276 5.942 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088101 1072300627 /nfs/dbraw/zinc/30/06/27/1072300627.db2.gz FKAIMFJBINQHSK-UHFFFAOYSA-N -1 0 577.546 5.192 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409087860 1072303963 /nfs/dbraw/zinc/30/39/63/1072303963.db2.gz IDCCCZIMVIZGAG-WDZCHGPJSA-N -1 0 704.586 7.640 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409320130 1072303970 /nfs/dbraw/zinc/30/39/70/1072303970.db2.gz BUXRWMZGQSEQMW-AWEZNQCLSA-N -1 0 607.299 5.712 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409320513 1072301524 /nfs/dbraw/zinc/30/15/24/1072301524.db2.gz BOPJWHODDKNVQP-KRWDZBQOSA-N -1 0 704.359 6.835 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409088050 1072302482 /nfs/dbraw/zinc/30/24/82/1072302482.db2.gz VWJOWVCFFFSRDN-RNWQJLHQSA-N -1 0 590.381 8.133 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cccc(C(=O)[O-])c2C)o1 ZINC000409317998 1072323621 /nfs/dbraw/zinc/32/36/21/1072323621.db2.gz SLCLDGNJHAYNPB-CQSZACIVSA-N -1 0 508.372 5.821 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409318041 1072323923 /nfs/dbraw/zinc/32/39/23/1072323923.db2.gz UOYWDDNKKLXEPD-UHFFFAOYSA-N -1 0 520.383 5.271 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCC(=O)Nc1ccccc1Cl ZINC000409336562 1072331156 /nfs/dbraw/zinc/33/11/56/1072331156.db2.gz PRHCRJJSVWYUMS-BAIFKEBXSA-N -1 0 500.001 5.240 40 30 KKEBRM N=C1SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C([O-])=C1c1nccs1 ZINC000409336283 1072333202 /nfs/dbraw/zinc/33/32/02/1072333202.db2.gz NDMAEQLTBDAQKX-KWQJMZPGSA-N -1 0 521.461 7.056 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC000409336255 1072333223 /nfs/dbraw/zinc/33/32/23/1072333223.db2.gz RGDCEWMAIHNMOG-UHFFFAOYSA-N -1 0 527.202 5.154 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)SC2=N)s1 ZINC000409336153 1072334534 /nfs/dbraw/zinc/33/45/34/1072334534.db2.gz LYCADIHUIKRFHX-FDKCTOBMSA-N -1 0 500.443 5.860 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(Br)cc1OCc1ccccc1C#N ZINC000409335629 1072337241 /nfs/dbraw/zinc/33/72/41/1072337241.db2.gz KUVUWDATJLGJER-RKQOSONESA-N -1 0 526.437 5.783 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409335311 1072339316 /nfs/dbraw/zinc/33/93/16/1072339316.db2.gz UZTYQVFENMDXTK-UHFFFAOYSA-N -1 0 539.655 6.210 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1cccc2ccccc21 ZINC000409334775 1072344016 /nfs/dbraw/zinc/34/40/16/1072344016.db2.gz ILZSBGBHVIURQL-YGHQBEQCSA-N -1 0 515.660 6.649 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(Br)cc1 ZINC000409333873 1072350129 /nfs/dbraw/zinc/35/01/29/1072350129.db2.gz DWAXPXVLNMPPAZ-HXMYAVBKSA-N -1 0 515.454 6.301 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409334467 1072345939 /nfs/dbraw/zinc/34/59/39/1072345939.db2.gz LWAWVMJBSKFZOB-HNNXBMFYSA-N -1 0 587.427 5.248 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccccc4)c(Br)c3)SC2=N)s1 ZINC000409333934 1072350749 /nfs/dbraw/zinc/35/07/49/1072350749.db2.gz GBAPNMWNWOLWLG-ANFUGJHOSA-N -1 0 500.443 5.860 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccccc1Cl ZINC000409333061 1072356807 /nfs/dbraw/zinc/35/68/07/1072356807.db2.gz BPIGVXMIKCMGPM-OZACXRCISA-N -1 0 500.045 6.149 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000409330882 1072375045 /nfs/dbraw/zinc/37/50/45/1072375045.db2.gz CLQWSJBTWBQSGE-UHFFFAOYSA-N -1 0 550.207 5.465 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)SC2=Nc2ccccc2)cc1 ZINC000409113118 1072386124 /nfs/dbraw/zinc/38/61/24/1072386124.db2.gz GOMZRPHNGMCLKQ-YHEUAIPESA-N -1 0 509.587 5.988 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000409327311 1072401740 /nfs/dbraw/zinc/40/17/40/1072401740.db2.gz SCOOXJYOASXSAA-CYBMUJFWSA-N -1 0 528.790 6.166 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCC(=O)[O-] ZINC000409327338 1072402326 /nfs/dbraw/zinc/40/23/26/1072402326.db2.gz SJONZDXIQIVCHK-CYBMUJFWSA-N -1 0 581.261 5.179 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)SC2=N)s1 ZINC000409336982 1072406345 /nfs/dbraw/zinc/40/63/45/1072406345.db2.gz RWMHELLTZNRCRR-OZSIIKSNSA-N -1 0 537.508 6.592 40 30 KKEBRM COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409108179 1072409028 /nfs/dbraw/zinc/40/90/28/1072409028.db2.gz VWOPTVDBKOXEJQ-IPBVOBEMSA-N -1 0 568.302 6.108 40 30 KKEBRM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccccc1C#N ZINC000409107997 1072410025 /nfs/dbraw/zinc/41/00/25/1072410025.db2.gz UWKGWFLTGYCYHU-FSJBWODESA-N -1 0 502.573 5.250 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409123841 1072470876 /nfs/dbraw/zinc/47/08/76/1072470876.db2.gz FCDHVXMSIFETII-OVVQPSECSA-N -1 0 584.669 5.852 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=N)s1 ZINC000409337724 1072492872 /nfs/dbraw/zinc/49/28/72/1072492872.db2.gz ZDPRYEIQLSMINM-HGTQCNCZSA-N -1 0 520.463 6.413 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Br)c1Br ZINC000409337427 1072496128 /nfs/dbraw/zinc/49/61/28/1072496128.db2.gz YHQAVJNEYQPZIK-LLVKDONJSA-N -1 0 646.130 5.552 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409129540 1072520058 /nfs/dbraw/zinc/52/00/58/1072520058.db2.gz GZBHETHXTIECEX-UDWIEESQSA-N -1 0 532.412 5.276 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409142921 1072544584 /nfs/dbraw/zinc/54/45/84/1072544584.db2.gz LULSZIBLPWKRJU-PCLIKHOPSA-N -1 0 588.632 5.601 40 30 KKEBRM N#Cc1c(/N=C/c2cc(I)cc(I)c2[O-])oc(-c2ccco2)c1-c1ccco1 ZINC000409377244 1072625379 /nfs/dbraw/zinc/62/53/79/1072625379.db2.gz GXBPEGKSBBZRHO-YSURURNPSA-N -1 0 596.118 6.337 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409148196 1072644409 /nfs/dbraw/zinc/64/44/09/1072644409.db2.gz XSVQXTMQQPPPPF-WPWMEQJKSA-N -1 0 619.114 6.506 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409371711 1072648222 /nfs/dbraw/zinc/64/82/22/1072648222.db2.gz GLXOZWAXHOOMLR-OEAKJJBVSA-N -1 0 565.420 5.410 40 30 KKEBRM N#Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000409384121 1072681078 /nfs/dbraw/zinc/68/10/78/1072681078.db2.gz BFKMVGLDEIQIOT-RTWAWAEBSA-N -1 0 594.420 5.070 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000409385781 1072692063 /nfs/dbraw/zinc/69/20/63/1072692063.db2.gz KGWOCTIZUVLWDD-PMACEKPBSA-N -1 0 587.400 5.338 40 30 KKEBRM COc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385446 1072692902 /nfs/dbraw/zinc/69/29/02/1072692902.db2.gz LXYVVJZUBAVBAD-JFLMPSFJSA-N -1 0 504.520 6.375 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000409385377 1072693021 /nfs/dbraw/zinc/69/30/21/1072693021.db2.gz JZOJZTKDHJWPQF-YUNRLAHDSA-N -1 0 590.771 6.193 40 30 KKEBRM Cc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384924 1072695344 /nfs/dbraw/zinc/69/53/44/1072695344.db2.gz GLCWRAWBAHTQGG-OKCVXOCRSA-N -1 0 505.039 7.929 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384976 1072695688 /nfs/dbraw/zinc/69/56/88/1072695688.db2.gz HVTLXFVWWRRKCU-CRJQHCNZSA-N -1 0 568.724 6.932 40 30 KKEBRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409384597 1072698481 /nfs/dbraw/zinc/69/84/81/1072698481.db2.gz DHBCHMICUJEQQW-UXHICEINSA-N -1 0 637.407 6.217 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384350 1072698922 /nfs/dbraw/zinc/69/89/22/1072698922.db2.gz BLSGUGHOANEGID-TUVVYERWSA-N -1 0 581.763 7.579 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409383452 1072703329 /nfs/dbraw/zinc/70/33/29/1072703329.db2.gz VIAMDHPLVPDIGZ-VUTHCHCSSA-N -1 0 562.691 6.550 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409381127 1072712683 /nfs/dbraw/zinc/71/26/83/1072712683.db2.gz FNFAHBRXUCEAAW-WSDLNYQXSA-N -1 0 623.472 5.144 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409380060 1072720060 /nfs/dbraw/zinc/72/00/60/1072720060.db2.gz GOEXQXJYJBUVJP-YZSQISJMSA-N -1 0 526.658 5.705 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409172200 1072734477 /nfs/dbraw/zinc/73/44/77/1072734477.db2.gz CWSZAWJBSNQISY-ZMOGYAJESA-N -1 0 500.532 5.081 40 30 KKEBRM Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387957 1072741329 /nfs/dbraw/zinc/74/13/29/1072741329.db2.gz ZCUVOBGRONGNIJ-DPNNOFEESA-N -1 0 512.719 7.951 40 30 KKEBRM CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)N2C2CCCCC2)cc1 ZINC000409170778 1072743178 /nfs/dbraw/zinc/74/31/78/1072743178.db2.gz XFRYVOKWDSTGER-GMQXDGEASA-N -1 0 500.620 7.144 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409406087 1072760582 /nfs/dbraw/zinc/76/05/82/1072760582.db2.gz JKPAWURSBFYUOA-HAHDFKILSA-N -1 0 519.395 5.227 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187038 1072761221 /nfs/dbraw/zinc/76/12/21/1072761221.db2.gz LGFYUAVYLIJLEY-UUYOSTAYSA-N -1 0 508.983 5.826 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186809 1072761280 /nfs/dbraw/zinc/76/12/80/1072761280.db2.gz IDHOTFVWHGLDRX-BKUYFWCQSA-N -1 0 539.407 5.627 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409404466 1072767002 /nfs/dbraw/zinc/76/70/02/1072767002.db2.gz CWXPAUTZTWCMEV-HMAPJEAMSA-N -1 0 523.416 6.161 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)C(=O)[O-] ZINC000409404077 1072767821 /nfs/dbraw/zinc/76/78/21/1072767821.db2.gz KAFPMBDSOHEBNV-CQSZACIVSA-N -1 0 526.774 5.214 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409403795 1072768993 /nfs/dbraw/zinc/76/89/93/1072768993.db2.gz MZFWSGFFVZCFHZ-UHFFFAOYSA-N -1 0 631.426 5.836 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(CC=C)c(OCC(=O)[O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185478 1072771641 /nfs/dbraw/zinc/77/16/41/1072771641.db2.gz LTWCRHWTKAMJMI-GPEZFKEGSA-N -1 0 705.833 6.670 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)cc1 ZINC000409402630 1072774914 /nfs/dbraw/zinc/77/49/14/1072774914.db2.gz IKJFYDYKUZXXDS-UHFFFAOYSA-N -1 0 544.394 6.530 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409402708 1072775307 /nfs/dbraw/zinc/77/53/07/1072775307.db2.gz FWPRQMHZKHHVJE-UHFFFAOYSA-N -1 0 518.573 5.289 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409195847 1072835758 /nfs/dbraw/zinc/83/57/58/1072835758.db2.gz WHWPMSVVTGRBCR-CVKSISIWSA-N -1 0 653.559 7.159 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409192328 1072856931 /nfs/dbraw/zinc/85/69/31/1072856931.db2.gz AWMZPPSFTDOMKX-WPWMEQJKSA-N -1 0 619.114 6.506 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409191424 1072863627 /nfs/dbraw/zinc/86/36/27/1072863627.db2.gz HAJAZGUUOBUCDO-OVVQPSECSA-N -1 0 683.179 6.084 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Cl ZINC000409190436 1072871184 /nfs/dbraw/zinc/87/11/84/1072871184.db2.gz NFJMCWVJMAYBNC-WOJGMQOQSA-N -1 0 533.408 5.408 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCCC ZINC000409189701 1072875771 /nfs/dbraw/zinc/87/57/71/1072875771.db2.gz NGULMBBVYSHDJH-XQNSMLJCSA-N -1 0 536.625 5.062 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409187683 1072885117 /nfs/dbraw/zinc/88/51/17/1072885117.db2.gz AQNVRLFVAYODOC-DEDYPNTBSA-N -1 0 634.467 5.104 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000409202996 1072911970 /nfs/dbraw/zinc/91/19/70/1072911970.db2.gz VNMQMPRYQGIKDE-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409202369 1072913982 /nfs/dbraw/zinc/91/39/82/1072913982.db2.gz QCOWYDBRYFDACO-STBIYBPSSA-N -1 0 502.364 7.269 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531093948 1072926555 /nfs/dbraw/zinc/92/65/55/1072926555.db2.gz CMQVTMOJWFJWFQ-BVMLUPFRSA-N -1 0 594.462 5.633 40 30 KKEBRM Cc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1[C@H](C)C(=O)[O-] ZINC001531109949 1072932228 /nfs/dbraw/zinc/93/22/28/1072932228.db2.gz MUQNUYJXEKXMQC-MCHZODJNSA-N -1 0 509.404 5.247 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531138688 1072942207 /nfs/dbraw/zinc/94/22/07/1072942207.db2.gz IZPLAGIDHAXTKT-JELCJJKJSA-N -1 0 550.837 5.243 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531149796 1072945465 /nfs/dbraw/zinc/94/54/65/1072945465.db2.gz QRZOULUOBRTBCD-DGPGAKKCSA-N -1 0 629.733 6.005 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531150808 1072946839 /nfs/dbraw/zinc/94/68/39/1072946839.db2.gz YBUZIPCPDVELOQ-AQLQTECXSA-N -1 0 643.332 6.387 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531161964 1072950644 /nfs/dbraw/zinc/95/06/44/1072950644.db2.gz OSQHHIUIOUNKSF-AQLQTECXSA-N -1 0 690.332 6.229 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531161866 1072950761 /nfs/dbraw/zinc/95/07/61/1072950761.db2.gz DHLHSPKESVCKJY-AMVVHIIESA-N -1 0 584.854 5.933 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC001531163014 1072951522 /nfs/dbraw/zinc/95/15/22/1072951522.db2.gz DWBFKFITWVIKCS-CNCDYAKUSA-N -1 0 704.359 6.619 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531169455 1072952521 /nfs/dbraw/zinc/95/25/21/1072952521.db2.gz MSYALKXZAZPIPD-BVMLUPFRSA-N -1 0 594.462 5.633 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC001531173885 1072954401 /nfs/dbraw/zinc/95/44/01/1072954401.db2.gz CPYCNAJFECKBLH-NUJZUDFISA-N -1 0 535.442 5.753 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409213576 1072954906 /nfs/dbraw/zinc/95/49/06/1072954906.db2.gz UWEDHWBWAMKDQN-FDAWAROLSA-N -1 0 593.417 7.510 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409212865 1072958040 /nfs/dbraw/zinc/95/80/40/1072958040.db2.gz RRYXDEMFAZUHSY-KTZUFFFVSA-N -1 0 561.498 6.214 40 30 KKEBRM CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409212748 1072958496 /nfs/dbraw/zinc/95/84/96/1072958496.db2.gz QNNGZKGITCMUSL-UVHMKAGCSA-N -1 0 502.792 6.837 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531210043 1072968690 /nfs/dbraw/zinc/96/86/90/1072968690.db2.gz MKADKGDKSZCQRD-VKVKMMGJSA-N -1 0 677.777 7.040 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC001531224092 1072973238 /nfs/dbraw/zinc/97/32/38/1072973238.db2.gz WVVGGXBPLDLFCF-NUJZUDFISA-N -1 0 535.442 5.753 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531226781 1072975402 /nfs/dbraw/zinc/97/54/02/1072975402.db2.gz BCKJAEAECGSENP-KBVAKVRCSA-N -1 0 578.463 6.060 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531227114 1072977191 /nfs/dbraw/zinc/97/71/91/1072977191.db2.gz QIHYQXRGKQLHAJ-AOAIAPAPSA-N -1 0 647.751 7.248 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC001531231519 1072982860 /nfs/dbraw/zinc/98/28/60/1072982860.db2.gz LDDGMOYLAUPSKC-UZGQRAPBSA-N -1 0 581.261 5.178 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409223234 1072989198 /nfs/dbraw/zinc/98/91/98/1072989198.db2.gz DTEPHDYAUJXBCA-WLZRAQTASA-N -1 0 541.000 6.389 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531244760 1072998557 /nfs/dbraw/zinc/99/85/57/1072998557.db2.gz CBNPBAPYHVSYPM-ZEHKQSLBSA-N -1 0 577.479 5.898 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21 ZINC001531254974 1073008679 /nfs/dbraw/zinc/00/86/79/1073008679.db2.gz PEWJITWYQGECKS-SSVJFZKPSA-N -1 0 522.399 5.389 40 30 KKEBRM CCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409218681 1073011815 /nfs/dbraw/zinc/01/18/15/1073011815.db2.gz XHCNYKOTDYXMAA-JFLMPSFJSA-N -1 0 545.373 6.116 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409229680 1073019594 /nfs/dbraw/zinc/01/95/94/1073019594.db2.gz SURKVDJCJSAACI-ODJLBJFPSA-N -1 0 512.223 5.550 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531263071 1073019595 /nfs/dbraw/zinc/01/95/95/1073019595.db2.gz JINNIUQDONPQQZ-FJEPWZHXSA-N -1 0 543.421 5.695 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531263083 1073020258 /nfs/dbraw/zinc/02/02/58/1073020258.db2.gz KSGBPKLUZAPATH-ZFQVWYPFSA-N -1 0 657.359 6.993 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531263533 1073022169 /nfs/dbraw/zinc/02/21/69/1073022169.db2.gz VZWGCRGVNPNTGD-RIIXLCPNSA-N -1 0 615.706 5.831 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(Br)cc(Br)c([O-])c1Br ZINC001531269134 1073031237 /nfs/dbraw/zinc/03/12/37/1073031237.db2.gz POZGUEIVWZTGNZ-LIMNOBDPSA-N -1 0 622.937 5.987 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531270065 1073034294 /nfs/dbraw/zinc/03/42/94/1073034294.db2.gz VEHDEBCITKPFLX-WCMJOSRZSA-N -1 0 594.462 5.678 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC001531270201 1073035501 /nfs/dbraw/zinc/03/55/01/1073035501.db2.gz ZTQDIAQAMKHWIQ-RWPZCVJISA-N -1 0 520.383 5.271 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(I)c2)S/C1=N/c1ccc(F)cc1 ZINC000409236737 1073035667 /nfs/dbraw/zinc/03/56/67/1073035667.db2.gz HDAYOPQFKHZXRA-ROGFPXQNSA-N -1 0 547.187 5.522 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Cl)c1Br ZINC001531276336 1073040195 /nfs/dbraw/zinc/04/01/95/1073040195.db2.gz GHNFUXBXVXLURR-LLBBJIQCSA-N -1 0 601.679 5.443 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC001531276725 1073042128 /nfs/dbraw/zinc/04/21/28/1073042128.db2.gz WWJIOHWZSWXGNS-ZOJKJTATSA-N -1 0 565.468 5.643 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409235653 1073043327 /nfs/dbraw/zinc/04/33/27/1073043327.db2.gz CRUZMLWZAZJNIQ-ROGFPXQNSA-N -1 0 500.187 5.680 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001531282233 1073046694 /nfs/dbraw/zinc/04/66/94/1073046694.db2.gz KWJJDNALWFBRQO-MUFRIFMGSA-N -1 0 534.410 5.661 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531283183 1073049027 /nfs/dbraw/zinc/04/90/27/1073049027.db2.gz IKWLTAUTGFMQBX-RTHFECFVSA-N -1 0 643.332 6.603 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531283361 1073050989 /nfs/dbraw/zinc/05/09/89/1073050989.db2.gz YQRVAVQQOVXPIR-ZEHKQSLBSA-N -1 0 577.479 5.898 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531283337 1073050995 /nfs/dbraw/zinc/05/09/95/1073050995.db2.gz YGIYNKOTOZFIHT-FJEPWZHXSA-N -1 0 609.433 5.578 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC001531285020 1073052050 /nfs/dbraw/zinc/05/20/50/1073052050.db2.gz CXYRGBGZUNSMEJ-SUZBBLJPSA-N -1 0 581.261 5.007 40 30 KKEBRM C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409233556 1073054348 /nfs/dbraw/zinc/05/43/48/1073054348.db2.gz LAIFIJXPOAABAP-WPWMEQJKSA-N -1 0 583.641 5.185 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531291593 1073061296 /nfs/dbraw/zinc/06/12/96/1073061296.db2.gz UHNFKYLNJYRQNG-QOYIUKKDSA-N -1 0 571.475 6.564 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531292022 1073062658 /nfs/dbraw/zinc/06/26/58/1073062658.db2.gz FFMPGEAFFSRGPT-CCVNUDIWSA-N -1 0 565.380 5.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC001531292316 1073063193 /nfs/dbraw/zinc/06/31/93/1073063193.db2.gz LQBAPKTVSNUDOB-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409231898 1073063817 /nfs/dbraw/zinc/06/38/17/1073063817.db2.gz LRYAMSXUCXYCME-CDEPVFDNSA-N -1 0 502.592 5.394 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC001531292511 1073063952 /nfs/dbraw/zinc/06/39/52/1073063952.db2.gz PVYMUWRZTHVMOC-SSAQJZBFSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC001531292612 1073064699 /nfs/dbraw/zinc/06/46/99/1073064699.db2.gz XHXNEFHTFYHPMF-ABBGQUIISA-N -1 0 710.104 5.227 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)S1 ZINC000409230773 1073068118 /nfs/dbraw/zinc/06/81/18/1073068118.db2.gz GISUABQAUKUNGI-ZMOGYAJESA-N -1 0 501.995 6.241 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531310241 1073087308 /nfs/dbraw/zinc/08/73/08/1073087308.db2.gz NXGDLALFAUECNE-FJEPWZHXSA-N -1 0 568.855 6.314 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)S1 ZINC000409242989 1073095000 /nfs/dbraw/zinc/09/50/00/1073095000.db2.gz UAINGWIXMHHGET-WSDLNYQXSA-N -1 0 557.853 6.580 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409238063 1073121888 /nfs/dbraw/zinc/12/18/88/1073121888.db2.gz YXZKBVMDFVXGDE-FMSNTRJASA-N -1 0 572.683 6.724 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531339538 1073126545 /nfs/dbraw/zinc/12/65/45/1073126545.db2.gz VXBGCGIIXCMKRZ-RTHFECFVSA-N -1 0 690.332 6.445 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC001531340442 1073126573 /nfs/dbraw/zinc/12/65/73/1073126573.db2.gz AAOQHYDTQKWGIS-RSXURMKNSA-N -1 0 551.441 5.253 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001531342745 1073132026 /nfs/dbraw/zinc/13/20/26/1073132026.db2.gz KTMQZZCZKHJPIQ-PKCARXMOSA-N -1 0 528.790 6.166 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531347432 1073137985 /nfs/dbraw/zinc/13/79/85/1073137985.db2.gz DSJQJCVVJWNOSU-BWVZCWHBSA-N -1 0 618.528 6.959 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531347816 1073140582 /nfs/dbraw/zinc/14/05/82/1073140582.db2.gz ZZJRAYNWKNMMDN-BUMKNRDJSA-N -1 0 643.332 6.603 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)c1 ZINC001531383606 1073153021 /nfs/dbraw/zinc/15/30/21/1073153021.db2.gz NZCGHHCQLNOQAH-KPGMTVGESA-N -1 0 544.394 6.530 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)cc1 ZINC001531385188 1073164815 /nfs/dbraw/zinc/16/48/15/1073164815.db2.gz QOQCQXNTZHAJKD-KPGMTVGESA-N -1 0 588.845 6.639 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409254955 1073170064 /nfs/dbraw/zinc/17/00/64/1073170064.db2.gz XFTWUFFMXUUYLO-WGOQTCKBSA-N -1 0 564.059 6.981 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409254037 1073177102 /nfs/dbraw/zinc/17/71/02/1073177102.db2.gz WGGDTUMAORWRCR-WLZRAQTASA-N -1 0 585.451 6.498 40 30 KKEBRM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N(Cc2ccc(C(=O)[O-])o2)c2ccccc2)C[C@H]1C ZINC001547139252 1073185539 /nfs/dbraw/zinc/18/55/39/1073185539.db2.gz QJJTWFUNBMSOOK-JMGYQRAPSA-N -1 0 537.952 5.162 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409275018 1073303569 /nfs/dbraw/zinc/30/35/69/1073303569.db2.gz HEQLMXZLWKRVBR-CYBMUJFWSA-N -1 0 567.341 5.759 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409274911 1073304352 /nfs/dbraw/zinc/30/43/52/1073304352.db2.gz GSXOLIPTFXYCRM-HNNXBMFYSA-N -1 0 517.925 5.206 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000409274675 1073308275 /nfs/dbraw/zinc/30/82/75/1073308275.db2.gz FPPZLMCZKKUWLB-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409274285 1073312007 /nfs/dbraw/zinc/31/20/07/1073312007.db2.gz CMNJBVZCIMMSCU-HNNXBMFYSA-N -1 0 562.376 5.315 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])c3)cc21 ZINC000409277055 1073323035 /nfs/dbraw/zinc/32/30/35/1073323035.db2.gz AVPHWSAPBZXNEH-UHFFFAOYSA-N -1 0 669.444 6.648 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409276772 1073326205 /nfs/dbraw/zinc/32/62/05/1073326205.db2.gz WFZIKKGHDIGPID-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)n(Cc3ccc(C(=O)[O-])cc3)c3ccccc23)cc1C(C)C ZINC000409286996 1073339745 /nfs/dbraw/zinc/33/97/45/1073339745.db2.gz XSQJYQVGJTWMIS-UHFFFAOYSA-N -1 0 598.703 7.396 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409286906 1073342288 /nfs/dbraw/zinc/34/22/88/1073342288.db2.gz XHTOOVYIXLVODX-UHFFFAOYSA-N -1 0 589.273 6.749 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409286482 1073347038 /nfs/dbraw/zinc/34/70/38/1073347038.db2.gz WIKMGYVKHFSHTN-UHFFFAOYSA-N -1 0 580.435 5.459 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2OCC(=O)[O-])cc1C(C)C ZINC000409286357 1073348996 /nfs/dbraw/zinc/34/89/96/1073348996.db2.gz PTTFFEBKSOSJPH-UHFFFAOYSA-N -1 0 609.433 5.520 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000409285969 1073351100 /nfs/dbraw/zinc/35/11/00/1073351100.db2.gz XHXSJEKWCNGQOP-UHFFFAOYSA-N -1 0 505.284 5.068 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)o1 ZINC000409285391 1073357297 /nfs/dbraw/zinc/35/72/97/1073357297.db2.gz NNUKDSCGRGBPED-UHFFFAOYSA-N -1 0 523.932 6.612 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409285444 1073357588 /nfs/dbraw/zinc/35/75/88/1073357588.db2.gz XCYAMYZRLOQMKP-CQSZACIVSA-N -1 0 532.896 5.105 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409284406 1073368635 /nfs/dbraw/zinc/36/86/35/1073368635.db2.gz REVGLHYKWNYRED-ZDUSSCGKSA-N -1 0 556.789 6.504 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409284400 1073368749 /nfs/dbraw/zinc/36/87/49/1073368749.db2.gz SVAZRRGPCDZVJL-UHFFFAOYSA-N -1 0 565.670 6.731 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000409284248 1073370299 /nfs/dbraw/zinc/37/02/99/1073370299.db2.gz UVDIDSFNGLSOSA-UHFFFAOYSA-N -1 0 673.863 7.293 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)cc1C(C)C ZINC000409284310 1073371090 /nfs/dbraw/zinc/37/10/90/1073371090.db2.gz QXDCNPMTWBEESZ-UHFFFAOYSA-N -1 0 562.670 6.800 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409284124 1073372102 /nfs/dbraw/zinc/37/21/02/1073372102.db2.gz SNAGJURBSMXZDM-SFHVURJKSA-N -1 0 593.036 6.190 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409283448 1073377267 /nfs/dbraw/zinc/37/72/67/1073377267.db2.gz IZPLAGIDHAXTKT-ZDUSSCGKSA-N -1 0 550.837 5.243 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409283586 1073378922 /nfs/dbraw/zinc/37/89/22/1073378922.db2.gz RAXHNSPUBOARKU-MRXNPFEDSA-N -1 0 556.457 5.318 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc([N+](=O)[O-])ccc3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409283268 1073381997 /nfs/dbraw/zinc/38/19/97/1073381997.db2.gz OVRKZVFYFKVJSR-UHFFFAOYSA-N -1 0 590.548 5.886 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409282897 1073384443 /nfs/dbraw/zinc/38/44/43/1073384443.db2.gz PNANDGTWEAKCPS-GOSISDBHSA-N -1 0 637.487 6.299 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)[O-])c(I)c2)cc1C(C)C ZINC000409282958 1073385134 /nfs/dbraw/zinc/38/51/34/1073385134.db2.gz PVGWSKHHPSYGND-UHFFFAOYSA-N -1 0 625.463 5.844 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409281670 1073401111 /nfs/dbraw/zinc/40/11/11/1073401111.db2.gz LIZHSSDGHGZEEF-INIZCTEOSA-N -1 0 606.429 5.714 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409051174 517942106 /nfs/dbraw/zinc/94/21/06/517942106.db2.gz BHPAUJJCRCBTMU-GZSQZJSPSA-N -1 0 518.334 6.094 40 30 KKEBRM CCc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5Cl)cc4)ccc3[O-])nc2c1 ZINC000003032402 552268068 /nfs/dbraw/zinc/26/80/68/552268068.db2.gz UJWLPUQWSDDEMJ-KPGMTVGESA-N -1 0 531.395 8.039 40 30 KKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)c1[O-] ZINC000003035833 552271353 /nfs/dbraw/zinc/27/13/53/552271353.db2.gz WKPWPIAURMXFGU-WYMPLXKRSA-N -1 0 529.290 5.863 40 30 KKEBRM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000004179740 552446348 /nfs/dbraw/zinc/44/63/48/552446348.db2.gz WKYXZGHIFOJSEI-QOMWVZHYSA-N -1 0 577.074 6.193 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000005031745 552492426 /nfs/dbraw/zinc/49/24/26/552492426.db2.gz AEUKQEGKAMVPNJ-KSEXSDGBSA-N -1 0 550.137 5.453 40 30 KKEBRM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000006447015 552590024 /nfs/dbraw/zinc/59/00/24/552590024.db2.gz RQCUGGMYZIGRHU-IBGZPJMESA-N -1 0 514.173 5.390 40 30 KKEBRM CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]3C(=O)C=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]4(C)[C@]3(C)CC[C@@H]21 ZINC000008655666 553108633 /nfs/dbraw/zinc/10/86/33/553108633.db2.gz KBLYXYBUIJSJAE-WVHRFFPASA-N -1 0 570.767 6.527 40 30 KKEBRM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccco2)cc1OC ZINC000010343834 553335202 /nfs/dbraw/zinc/33/52/02/553335202.db2.gz HHQXDVRXHLJUKE-LDLUVENISA-N -1 0 516.550 5.062 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000012296997 553356990 /nfs/dbraw/zinc/35/69/90/553356990.db2.gz KQGBJEZYOYEOPW-AUUOZWKCSA-N -1 0 522.686 5.057 40 30 KKEBRM O=[N+]([O-])c1ccc([N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000017576581 553597946 /nfs/dbraw/zinc/59/79/46/553597946.db2.gz XCRXIIQCSTZITG-OGLMXYFKSA-N -1 0 599.094 5.455 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000085907197 553691949 /nfs/dbraw/zinc/69/19/49/553691949.db2.gz OHKMMRFDDARHMY-OSSZLZLUSA-N -1 0 526.718 5.534 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000032116824 553865308 /nfs/dbraw/zinc/86/53/08/553865308.db2.gz RILBRGWTDMDVCY-UHFFFAOYSA-N -1 0 501.579 5.162 40 30 KKEBRM CCOc1ccc([N-]S(=O)(=O)c2cc(N/N=C3\SC(=N)N=C3c3cc(C)c(C)cc3C)ccc2Cl)cc1 ZINC000097982630 554004017 /nfs/dbraw/zinc/00/40/17/554004017.db2.gz WTBRIAOFYKXVLQ-PRPDNSBASA-N -1 0 556.113 6.361 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccccc1Cl ZINC000035657153 554062242 /nfs/dbraw/zinc/06/22/42/554062242.db2.gz SIHMXNSNAZPEHU-KWKYFYOMSA-N -1 0 508.983 5.860 40 30 KKEBRM Cc1ccc(Nc2nc(N=NCc3cc([N+](=O)[O-])cc(Br)c3[O-])nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000100036376 554190897 /nfs/dbraw/zinc/19/08/97/554190897.db2.gz UJTNNIIGWQXPDS-RPPGKUMJSA-N -1 0 594.386 5.706 40 30 KKEBRM O=C([O-])c1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100039656 554191822 /nfs/dbraw/zinc/19/18/22/554191822.db2.gz FJIDWLITKNBSQJ-TYRBNLMUSA-N -1 0 548.598 6.491 40 30 KKEBRM CCCCCCCCCCCCCOC[C@H](O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c([O-])c1 ZINC000100042265 554192617 /nfs/dbraw/zinc/19/26/17/554192617.db2.gz PSMYELRXRQIDAX-XIFFEERXSA-N -1 0 653.908 9.879 40 30 KKEBRM O=C1/C(=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000100072827 554202423 /nfs/dbraw/zinc/20/24/23/554202423.db2.gz HADAIILMAKFWOB-BBWXTVSKSA-N -1 0 549.390 5.842 40 30 KKEBRM N#Cc1ccccc1Cn1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000100236740 554258786 /nfs/dbraw/zinc/25/87/86/554258786.db2.gz MFVMBPHPMGHSOO-CLMFCILUSA-N -1 0 568.658 7.064 40 30 KKEBRM O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c(Cl)c1 ZINC000038162638 554273586 /nfs/dbraw/zinc/27/35/86/554273586.db2.gz ATHZZIIKFYFDTD-YSURURNPSA-N -1 0 500.692 5.268 40 30 KKEBRM O=C([O-])Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 ZINC000100289707 554282381 /nfs/dbraw/zinc/28/23/81/554282381.db2.gz OXVPBXFCWIVAJF-JQDPYBPBSA-N -1 0 520.614 6.054 40 30 KKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000100297649 554289210 /nfs/dbraw/zinc/28/92/10/554289210.db2.gz MOOBNHATXJMTGX-KKMKTNMSSA-N -1 0 522.742 7.428 40 30 KKEBRM COc1ccc(/N=C/c2cc(I)cc(I)c2[O-])cc1Br ZINC000100324065 554307868 /nfs/dbraw/zinc/30/78/68/554307868.db2.gz VPYONDOLAADWRV-CNHKJKLMSA-N -1 0 557.951 5.123 40 30 KKEBRM COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)cc1 ZINC000100362854 554346808 /nfs/dbraw/zinc/34/68/08/554346808.db2.gz LZXKBEKXGKMTMD-KBKYJPHKSA-N -1 0 518.447 6.799 40 30 KKEBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3C#N)C2=O)c1 ZINC000059105089 554379980 /nfs/dbraw/zinc/37/99/80/554379980.db2.gz JXVGTLDJEALSMC-HZHRSRAPSA-N -1 0 511.534 5.441 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000059183211 554384163 /nfs/dbraw/zinc/38/41/63/554384163.db2.gz URNSYNGKOXMMAW-BHVANESWSA-N -1 0 634.902 9.526 40 30 KKEBRM C=CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000059198309 554384602 /nfs/dbraw/zinc/38/46/02/554384602.db2.gz JIBQRHAAQBRUHF-OQLLNIDSSA-N -1 0 506.150 5.283 40 30 KKEBRM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000100477635 554401116 /nfs/dbraw/zinc/40/11/16/554401116.db2.gz WFGKFMDJJRKHSE-GKPLWNPISA-N -1 0 523.936 5.698 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000100561519 554418097 /nfs/dbraw/zinc/41/80/97/554418097.db2.gz AWOIABCTICOLJH-HXUWFJFHSA-N -1 0 520.276 6.390 40 30 KKEBRM CCCCCCCCCCOC(=O)C(/C=C/c1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)OCCCCCCCCCC ZINC000059664078 554421789 /nfs/dbraw/zinc/42/17/89/554421789.db2.gz NRUYNVOXTBVRNN-SGWCAAJKSA-N -1 0 650.853 9.601 40 30 KKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059678499 554424395 /nfs/dbraw/zinc/42/43/95/554424395.db2.gz VNSYOGIJBTYZIM-KBVAKVRCSA-N -1 0 511.647 7.044 40 30 KKEBRM C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000100921914 554521761 /nfs/dbraw/zinc/52/17/61/554521761.db2.gz KTNPMOQHVDFHBQ-ORONYANGSA-N -1 0 517.057 5.387 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000100927521 554524640 /nfs/dbraw/zinc/52/46/40/554524640.db2.gz VIQNKNMOXKFALH-GXMXPRDMSA-N -1 0 571.424 6.108 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000100928148 554525256 /nfs/dbraw/zinc/52/52/56/554525256.db2.gz LWCSOUKWRHTLDG-FKULMYBFSA-N -1 0 587.879 6.622 40 30 KKEBRM Cc1cc2nc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)oc2c(C)c1 ZINC000100929915 554526548 /nfs/dbraw/zinc/52/65/48/554526548.db2.gz GMBVYSRQFYSURA-OPEKNORGSA-N -1 0 594.190 6.777 40 30 KKEBRM CCCCCCCCOc1ccc(OP(=O)([O-])Oc2ccc(OCCCCCCCC)cc2)cc1 ZINC000100930391 554526810 /nfs/dbraw/zinc/52/68/10/554526810.db2.gz UIGKJLYNVBMSIV-UHFFFAOYSA-N -1 0 506.620 8.723 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100936651 554530807 /nfs/dbraw/zinc/53/08/07/554530807.db2.gz LQRGTTZRIJFGFH-SILRWXEESA-N -1 0 541.398 6.099 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938424 554531611 /nfs/dbraw/zinc/53/16/11/554531611.db2.gz QMGAZMZTWICXKW-SILRWXEESA-N -1 0 604.853 6.456 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000100938827 554531634 /nfs/dbraw/zinc/53/16/34/554531634.db2.gz GGHHIYXJCLAWRW-LUAXBZEPSA-N -1 0 553.434 5.969 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100939314 554532022 /nfs/dbraw/zinc/53/20/22/554532022.db2.gz JOANBYZYYIKFBP-ZQQCWGMFSA-N -1 0 570.408 5.802 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000100953497 554538139 /nfs/dbraw/zinc/53/81/39/554538139.db2.gz XFVXSKSZWRHOIJ-CEQVMOKUSA-N -1 0 540.019 8.617 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CCCC)C(=O)[O-])C2=O)cc1OCC ZINC000101014704 554558928 /nfs/dbraw/zinc/55/89/28/554558928.db2.gz ARRFSWDGPSTGFW-KNOQIOAQSA-N -1 0 507.718 6.669 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101014790 554559028 /nfs/dbraw/zinc/55/90/28/554559028.db2.gz YHWAXFQKEADHRW-LFVJCYFKSA-N -1 0 529.680 6.634 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCCC)C(=O)[O-])C2=O)cc1OC ZINC000101014955 554559328 /nfs/dbraw/zinc/55/93/28/554559328.db2.gz VBBXOKMPIKKMAM-VIZKECMVSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)cc1OC ZINC000101014979 554559360 /nfs/dbraw/zinc/55/93/60/554559360.db2.gz COXZKOOGKBQRHB-YJMDWFGISA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OC ZINC000101014907 554559385 /nfs/dbraw/zinc/55/93/85/554559385.db2.gz GUWWJEKQLNTFKD-ZIQTWHDPSA-N -1 0 577.853 8.620 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015199 554559469 /nfs/dbraw/zinc/55/94/69/554559469.db2.gz UDVCUWHLTZLZBS-FAELSGBJSA-N -1 0 521.745 7.058 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015181 554559536 /nfs/dbraw/zinc/55/95/36/554559536.db2.gz AYLVDTRAZTWWTO-PMIIVDBNSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OCC ZINC000101015153 554559542 /nfs/dbraw/zinc/55/95/42/554559542.db2.gz KORSKBMCGIDPNK-JJMKSGPCSA-N -1 0 591.880 9.010 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OCC ZINC000101015230 554559787 /nfs/dbraw/zinc/55/97/87/554559787.db2.gz NGLYQGARJIWYFC-HHDQDZLZSA-N -1 0 521.745 6.914 40 30 KKEBRM COc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1O ZINC000101027089 554564181 /nfs/dbraw/zinc/56/41/81/554564181.db2.gz STPKVPUQNXUTFL-HXUWFJFHSA-N -1 0 537.644 5.389 40 30 KKEBRM CCCCCCCCCCCCCCCCCCN1C(=O)[N-]C(=O)/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000101459571 554777951 /nfs/dbraw/zinc/77/79/51/554777951.db2.gz GOYXSNQZSCDQTC-BFYITVNDSA-N -1 0 568.802 9.716 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000101563950 554797369 /nfs/dbraw/zinc/79/73/69/554797369.db2.gz MNFIJBUBYNSQCZ-MSBDOUPJSA-N -1 0 528.340 5.549 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000102715619 555018610 /nfs/dbraw/zinc/01/86/10/555018610.db2.gz HQCFSJFCYPRAMQ-GZTJUZNOSA-N -1 0 539.444 6.720 40 30 KKEBRM N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000102917588 555144402 /nfs/dbraw/zinc/14/44/02/555144402.db2.gz XBUSUHDJJXJPTO-WNJJXGMVSA-N -1 0 500.510 5.144 40 30 KKEBRM CCOc1ccc2nc(NC(=O)/C(CC(=O)C[C@@H](c3ccccc3)C3C(=O)Cc4ccccc4C3=O)=N\[O-])sc2c1 ZINC000102921781 555146918 /nfs/dbraw/zinc/14/69/18/555146918.db2.gz LKCZJXYPGIUBTK-OHPNNISBSA-N -1 0 569.639 5.691 40 30 KKEBRM O=[N+]([O-])c1cc(Cl)cc(/C=N/n2c(-c3ccc(Cl)c(Cl)c3)cs/c2=N/c2ccc(F)cc2)c1[O-] ZINC000102931252 555158591 /nfs/dbraw/zinc/15/85/91/555158591.db2.gz QWQUEGATMBGDAB-KKFCHSMMSA-N -1 0 537.787 7.044 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc(/N=C/c2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 ZINC000102957776 555174458 /nfs/dbraw/zinc/17/44/58/555174458.db2.gz VPMVESXXVYKXFC-ZTKZIYFRSA-N -1 0 507.656 5.381 40 30 KKEBRM O=C1C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1 ZINC000102984345 555190206 /nfs/dbraw/zinc/19/02/06/555190206.db2.gz NSIPETBHHLOQGC-URGPHPNLSA-N -1 0 562.007 5.412 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccc(Br)c(Cl)c4)NC3=O)o2)c1 ZINC000103604058 555454677 /nfs/dbraw/zinc/45/46/77/555454677.db2.gz PKYBFXZEDHDNKA-NVMNQCDNSA-N -1 0 538.206 6.606 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000103746556 555466701 /nfs/dbraw/zinc/46/67/01/555466701.db2.gz CKWWEAHMNKFRHI-JQAMDZJQSA-N -1 0 603.188 8.877 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103783272 555476574 /nfs/dbraw/zinc/47/65/74/555476574.db2.gz BQEAQEMIDOBZSI-QLTARICISA-N -1 0 598.431 5.877 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N/c3ccc(Br)c(Cl)c3)NC2=O)cc(OC)c1OCC(=O)[O-] ZINC000103792444 555481517 /nfs/dbraw/zinc/48/15/17/555481517.db2.gz GBIMXBMJNYAUDG-NVMNQCDNSA-N -1 0 537.819 5.195 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103792544 555481522 /nfs/dbraw/zinc/48/15/22/555481522.db2.gz AXMUVWFMFAEHDG-JQDPYBPBSA-N -1 0 542.060 7.250 40 30 KKEBRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)/C(=N/NC(N)=S)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-] ZINC000253504515 560037816 /nfs/dbraw/zinc/03/78/16/560037816.db2.gz GNMBGIPFQQWAMF-CURJUDPLSA-N -1 0 527.819 7.228 40 30 biogenic,in-vitro KKEBRM CCc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000103845592 571363323 /nfs/dbraw/zinc/36/33/23/571363323.db2.gz QTQCAZSTPNDASQ-RHJQQLLMSA-N -1 0 592.717 7.906 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2Br)cc1 ZINC000103847374 571363590 /nfs/dbraw/zinc/36/35/90/571363590.db2.gz YCOAVGPOZDBDRC-RGVLZGJSSA-N -1 0 606.267 6.520 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000103849150 571364059 /nfs/dbraw/zinc/36/40/59/571364059.db2.gz QMCOMAWPMKQEHZ-OEAKJJBVSA-N -1 0 565.395 5.571 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000103850729 571364582 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571365579 /nfs/dbraw/zinc/36/55/79/571365579.db2.gz HFNIWTPXZGYYIL-KGENOOAVSA-N -1 0 565.464 6.035 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000103852984 571365724 /nfs/dbraw/zinc/36/57/24/571365724.db2.gz ZURZGDHCEQLILO-UDWIEESQSA-N -1 0 571.457 6.280 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000103852955 571365726 /nfs/dbraw/zinc/36/57/26/571365726.db2.gz CANGFEKQGNZOAT-LFVJCYFKSA-N -1 0 601.497 6.880 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000103853149 571365728 /nfs/dbraw/zinc/36/57/28/571365728.db2.gz MOSZZFLYCOINLR-NLRVBDNBSA-N -1 0 566.654 6.516 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000103852948 571365750 /nfs/dbraw/zinc/36/57/50/571365750.db2.gz FNIFCFSYMUVJKH-LFVJCYFKSA-N -1 0 601.497 6.880 40 30 KKEBRM Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103870043 571368307 /nfs/dbraw/zinc/36/83/07/571368307.db2.gz MTHMEUHVPIIHDG-OKCVXOCRSA-N -1 0 528.634 6.960 40 30 KKEBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000103938827 571370389 /nfs/dbraw/zinc/37/03/89/571370389.db2.gz FLDBNMYJUMAXDQ-USHMODERSA-N -1 0 519.648 5.656 40 30 KKEBRM CC(C)(C)c1cc(C([O-])(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC(C)(C)S2 ZINC000104237475 571377701 /nfs/dbraw/zinc/37/77/01/571377701.db2.gz HVUKONQLPAUQRK-UHFFFAOYSA-N -1 0 538.394 7.475 40 30 KKEBRM Cc1cc(N=NCc2c(O)ccc3ccccc32)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000104803664 571386389 /nfs/dbraw/zinc/38/63/89/571386389.db2.gz VOCUULZTEOYHPZ-OPEKNORGSA-N -1 0 528.204 5.987 40 30 KKEBRM CCc1ccc2oc(-c3cc(/N=C\c4ccc(OC(=O)c5cc(Cl)ccc5Cl)cc4)ccc3[O-])nc2c1 ZINC000104820464 571386521 /nfs/dbraw/zinc/38/65/21/571386521.db2.gz IRJZDGDMJQLTLV-ZMGVVAQMSA-N -1 0 531.395 8.039 40 30 KKEBRM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1/cc(-c2ccc(OC)cc2)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000105019287 571389309 /nfs/dbraw/zinc/38/93/09/571389309.db2.gz SXAZGJYDAUAEPR-NMSHJFGGSA-N -1 0 647.904 7.317 40 30 KKEBRM O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])c(Cl)c1 ZINC000106018560 571410481 /nfs/dbraw/zinc/41/04/81/571410481.db2.gz DUOJVBBMBWPILN-KIBLKLHPSA-N -1 0 534.591 6.122 40 30 KKEBRM CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1O ZINC000109503062 571429227 /nfs/dbraw/zinc/42/92/27/571429227.db2.gz AAOZJKAIVQSXRP-NSKAYECMSA-N -1 0 611.084 7.343 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3)nc2c1 ZINC000109511312 571429404 /nfs/dbraw/zinc/42/94/04/571429404.db2.gz GBWDAYPSHOYXQF-ZKJHFGPLSA-N -1 0 528.244 7.990 40 30 KKEBRM COc1cc(Br)c(Br)c(/C=N/c2cc(Br)c([O-])c(Br)c2)c1O ZINC000109953697 571430306 /nfs/dbraw/zinc/43/03/06/571430306.db2.gz ADJRLXGPESKKJT-PTXOJBNSSA-N -1 0 558.846 5.907 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000110717377 571431767 /nfs/dbraw/zinc/43/17/67/571431767.db2.gz JOBWPZQJCNWMNW-GSYGROADSA-N -1 0 581.488 6.749 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110722976 571431792 /nfs/dbraw/zinc/43/17/92/571431792.db2.gz CGNLMHFHKZNOEV-KSUKIFKWSA-N -1 0 567.461 6.359 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCc1ccccc1 ZINC000110722336 571431805 /nfs/dbraw/zinc/43/18/05/571431805.db2.gz HQOHFGMBVLMHIB-PKNUDXBSSA-N -1 0 581.488 6.749 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000110727541 571431886 /nfs/dbraw/zinc/43/18/86/571431886.db2.gz VNVYUFJMUBTHHZ-OCBWHMNCSA-N -1 0 615.933 7.402 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919036 571445429 /nfs/dbraw/zinc/44/54/29/571445429.db2.gz JFBCPEYXJIIHIY-NBAHOYRFSA-N -1 0 558.760 5.238 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000118921262 571446313 /nfs/dbraw/zinc/44/63/13/571446313.db2.gz UUSRSOMFQHDJAD-QPHGNSDCSA-N -1 0 535.681 5.022 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921763 571446404 /nfs/dbraw/zinc/44/64/04/571446404.db2.gz JFBCPEYXJIIHIY-URWDRHLLSA-N -1 0 558.760 5.238 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118934152 571447849 /nfs/dbraw/zinc/44/78/49/571447849.db2.gz KQGBJEZYOYEOPW-CTUVGGNJSA-N -1 0 522.686 5.057 40 30 KKEBRM CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000136777530 571449822 /nfs/dbraw/zinc/44/98/22/571449822.db2.gz LIVQOYPTIAPEAG-HKBQPEDESA-N -1 0 581.819 8.719 40 30 KKEBRM CCCCCCCCCCCCCCCCCCOc1ccc(NC(=O)c2cc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc3c2O)cc1 ZINC000150379957 571466791 /nfs/dbraw/zinc/46/67/91/571466791.db2.gz JLFBJMQMCHWGCO-UHFFFAOYSA-N -1 0 668.875 12.139 40 30 KKEBRM Oc1ccc(Br)cc1/C=N/CCN1CCN(CC/N=C/c2cc(Br)ccc2O)C1c1cc(Br)ccc1O ZINC000150378961 571466812 /nfs/dbraw/zinc/46/68/12/571466812.db2.gz MPSBMKVQDPLADP-LCTMICICSA-N -1 0 695.250 5.945 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=N\c1ccc(N(CC)CC)cc1C ZINC000150382616 571467343 /nfs/dbraw/zinc/46/73/43/571467343.db2.gz NBOBSNUWQHCELC-LLRJKHIDSA-N -1 0 719.242 11.612 40 30 KKEBRM C=CCOc1c(I)cc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1I ZINC000150383227 571467670 /nfs/dbraw/zinc/46/76/70/571467670.db2.gz HIJURXSZKUGCAK-ODCIPOBUSA-N -1 0 662.885 6.442 40 30 KKEBRM CCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N/N=c1/sc2cc(Cl)cc(Cl)c2n1C ZINC000150389025 571471449 /nfs/dbraw/zinc/47/14/49/571471449.db2.gz LHEROMPUMPHORR-WUVHBKSUSA-N -1 0 672.741 8.899 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)[N-]C6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000150432966 571494546 /nfs/dbraw/zinc/49/45/46/571494546.db2.gz WJRJONZDINDKQJ-DXBVBETFSA-N -1 0 695.967 7.288 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150471708 571509716 /nfs/dbraw/zinc/50/97/16/571509716.db2.gz DSYOWBRZRBHDLA-UHFFFAOYSA-N -1 0 742.607 7.337 40 30 KKEBRM COc1cc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc(OC)c1OC ZINC000150578240 571521601 /nfs/dbraw/zinc/52/16/01/571521601.db2.gz FESXASOIJGTKCB-MUUNZHRXSA-N -1 0 657.745 7.240 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000150631995 571524101 /nfs/dbraw/zinc/52/41/01/571524101.db2.gz YUZJHHAVVBLFEU-BGVSHLRQSA-N -1 0 636.351 7.666 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000163526196 571536236 /nfs/dbraw/zinc/53/62/36/571536236.db2.gz CHXVYIALPIMZCV-BELQJWEKSA-N -1 0 669.324 7.118 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000163526347 571536265 /nfs/dbraw/zinc/53/62/65/571536265.db2.gz QXGZYNXQAZVXSG-DIENZIEHSA-N -1 0 683.749 7.218 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000164322025 571545598 /nfs/dbraw/zinc/54/55/98/571545598.db2.gz ZUBSNDLFWJBLAQ-KCSSXMTESA-N -1 0 651.203 8.180 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164408748 571547443 /nfs/dbraw/zinc/54/74/43/571547443.db2.gz CIMGDTFMIPPCOL-WOJGMQOQSA-N -1 0 620.327 7.034 40 30 KKEBRM [O-]c1c(Br)cc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)cc1Br ZINC000164651487 571550109 /nfs/dbraw/zinc/55/01/09/571550109.db2.gz UPJPWSIXEUXLCM-XAZZYMPDSA-N -1 0 622.407 9.141 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2nc(SCc3ccc4c(c3)Cc3ccccc3-4)sc2c1 ZINC000164651654 571550255 /nfs/dbraw/zinc/55/02/55/571550255.db2.gz GQHRPDQOLCEJML-XAZZYMPDSA-N -1 0 622.407 9.141 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000164717863 571550951 /nfs/dbraw/zinc/55/09/51/571550951.db2.gz PIORHMFYKNBUEE-UTVAHVDMSA-N -1 0 696.370 8.230 40 30 KKEBRM CCCCCON=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603846 572129367 /nfs/dbraw/zinc/12/93/67/572129367.db2.gz NZLFPVCWUJGSPW-YYUZYULJSA-N -1 0 810.938 6.295 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])[C@H](C)CC)C2=O)cc1OC ZINC000226533349 572138681 /nfs/dbraw/zinc/13/86/81/572138681.db2.gz KTSKLQDXWASIMP-WUZQPAFDSA-N -1 0 507.718 6.524 40 30 KKEBRM C=C(CC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]12C)C(C)C ZINC000299817405 572139201 /nfs/dbraw/zinc/13/92/01/572139201.db2.gz AYHCPTDPDUADTK-FYZPQEEWSA-N -1 0 510.759 8.137 40 30 biogenic,in-vitro KKEBRM Cc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408527518 572160681 /nfs/dbraw/zinc/16/06/81/572160681.db2.gz BURUNDYVXYNZKF-BLGMPFDXSA-N -1 0 569.082 8.043 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000408529414 572168353 /nfs/dbraw/zinc/16/83/53/572168353.db2.gz HUFBBLXEHLZQSQ-DNYAEFPPSA-N -1 0 529.401 6.274 40 30 KKEBRM O=C([O-])c1ccc(COc2cccc(/C=C3\S/C(=N\c4ccc(Cl)cc4)N(c4ccc(Cl)cc4)C3=O)c2)cc1 ZINC000408529576 572168658 /nfs/dbraw/zinc/16/86/58/572168658.db2.gz ITBLNDNDIGMPBG-UKRZBMNNSA-N -1 0 575.473 8.079 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408530007 572170391 /nfs/dbraw/zinc/17/03/91/572170391.db2.gz KAWSLZDVTVNYCV-BKUYFWCQSA-N -1 0 586.407 5.469 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408531867 572177436 /nfs/dbraw/zinc/17/74/36/572177436.db2.gz MPAVIDCXEAINHI-OGJGDWFSSA-N -1 0 690.559 8.002 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408531828 572177583 /nfs/dbraw/zinc/17/75/83/572177583.db2.gz RTUNPXHHNFOPDD-BKUYFWCQSA-N -1 0 539.407 5.627 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408531930 572178233 /nfs/dbraw/zinc/17/82/33/572178233.db2.gz MVUUOLMNEFOGIR-OGJGDWFSSA-N -1 0 643.559 8.160 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408534685 572186654 /nfs/dbraw/zinc/18/66/54/572186654.db2.gz WAYXHNLJCKJJJI-AVFFQYQTSA-N -1 0 616.331 7.100 40 30 KKEBRM C#CCNC(=O)CCCCC[N+]1=C(C=CC=C2N(CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21 ZINC000238730582 572187811 /nfs/dbraw/zinc/18/78/11/572187811.db2.gz DVBDEKRWCVSXGU-UHFFFAOYSA-O -1 0 668.858 5.124 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408536989 572192680 /nfs/dbraw/zinc/19/26/80/572192680.db2.gz BTOYQPWWZVWSEQ-STZFKDTASA-N -1 0 544.004 6.053 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408538211 572197392 /nfs/dbraw/zinc/19/73/92/572197392.db2.gz KFJHWMGPIGCEHW-HAVVHWLPSA-N -1 0 543.060 6.543 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000408538314 572197574 /nfs/dbraw/zinc/19/75/74/572197574.db2.gz KWVLUKQEPITDFZ-CPNJWEJPSA-N -1 0 568.295 7.162 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000408538379 572198110 /nfs/dbraw/zinc/19/81/10/572198110.db2.gz LWIXQJLMCCOPBH-RCCKNPSSSA-N -1 0 516.997 6.284 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408538565 572198640 /nfs/dbraw/zinc/19/86/40/572198640.db2.gz OVPDIBFDOZLMIJ-RCCKNPSSSA-N -1 0 559.457 5.872 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408538666 572199102 /nfs/dbraw/zinc/19/91/02/572199102.db2.gz BHZCVZOUDISYGH-KGENOOAVSA-N -1 0 577.903 6.907 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408538776 572199528 /nfs/dbraw/zinc/19/95/28/572199528.db2.gz QRLUGZJQUHVHDG-QNGOZBTKSA-N -1 0 544.004 6.053 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408538758 572199698 /nfs/dbraw/zinc/19/96/98/572199698.db2.gz QHMBCCZTDRCVCE-BOPFTXTBSA-N -1 0 558.289 7.706 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408538921 572199902 /nfs/dbraw/zinc/19/99/02/572199902.db2.gz RKBASRUYKKQFES-RCCKNPSSSA-N -1 0 515.006 5.763 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408538978 572200376 /nfs/dbraw/zinc/20/03/76/572200376.db2.gz SIDPKAUBCZONJL-XSFVSMFZSA-N -1 0 547.421 6.003 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000408539100 572201082 /nfs/dbraw/zinc/20/10/82/572201082.db2.gz SRPIAVAROGGQGV-CPNJWEJPSA-N -1 0 507.389 6.538 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408539247 572201507 /nfs/dbraw/zinc/20/15/07/572201507.db2.gz UQHVIVKEZPCILG-UYRXBGFRSA-N -1 0 534.396 6.307 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000408539395 572201922 /nfs/dbraw/zinc/20/19/22/572201922.db2.gz HBJBYKMZEHMHLZ-XDHOZWIPSA-N -1 0 612.746 7.271 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OC)c2)C1=O ZINC000408539427 572201927 /nfs/dbraw/zinc/20/19/27/572201927.db2.gz HMWGQHXUZMRGQF-NKFKGCMQSA-N -1 0 587.511 6.652 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408539515 572202474 /nfs/dbraw/zinc/20/24/74/572202474.db2.gz IDKVGKDZMDQFKT-DEDYPNTBSA-N -1 0 533.452 6.716 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408539567 572202486 /nfs/dbraw/zinc/20/24/86/572202486.db2.gz XPRVGTVXIICOPY-HKWRFOASSA-N -1 0 533.452 6.798 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408540327 572205456 /nfs/dbraw/zinc/20/54/56/572205456.db2.gz QBTAJZQNCIEQHO-HKOYGPOVSA-N -1 0 645.591 7.441 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccco4)C3=O)c3ccccc32)o1 ZINC000408541400 572208904 /nfs/dbraw/zinc/20/89/04/572208904.db2.gz GEAIWQHIYZUDSN-BXFRJJNSSA-N -1 0 523.570 6.378 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\S/C(=N\C4CCCCC4)N(C4CCCCC4)C3=O)c3ccccc32)o1 ZINC000408542557 572210708 /nfs/dbraw/zinc/21/07/08/572210708.db2.gz KCVADUIHHYJXLK-LEGKVYBRSA-N -1 0 531.678 6.919 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(CCCN4CCOCC4)C3=O)c3ccccc32)o1 ZINC000408543490 572212819 /nfs/dbraw/zinc/21/28/19/572212819.db2.gz RLIBSVFZXAEPPP-MRYWEKRUSA-N -1 0 570.671 5.307 40 30 KKEBRM C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@H](O)[C@H]1O ZINC000252394293 572260232 /nfs/dbraw/zinc/26/02/32/572260232.db2.gz FMRFCBBDHDGKKZ-MWQIAHQZSA-N -1 0 600.837 6.294 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631262 572287260 /nfs/dbraw/zinc/28/72/60/572287260.db2.gz CSRGVNOZACWJDF-ZMFRSBBQSA-N -1 0 542.617 5.651 40 30 KKEBRM COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408631749 572287843 /nfs/dbraw/zinc/28/78/43/572287843.db2.gz BNTHLOAWRTWJLG-QRVIBDJDSA-N -1 0 518.982 5.802 40 30 KKEBRM COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc(I)c1OCc1ccccc1C#N ZINC000408632019 572288285 /nfs/dbraw/zinc/28/82/85/572288285.db2.gz CPYSZTJUMXCCND-UUYOSTAYSA-N -1 0 584.391 6.109 40 30 KKEBRM C=CCc1cc(C=C(Sc2n[nH]c(CCC)n2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408632211 572288467 /nfs/dbraw/zinc/28/84/67/572288467.db2.gz OTOOPVMQTSIUCA-PXLXIMEGSA-N -1 0 514.047 6.335 40 30 KKEBRM C=CCOc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1Br ZINC000408632233 572288596 /nfs/dbraw/zinc/28/85/96/572288596.db2.gz PDAKBMAPMYUDRD-ZDLGFXPLSA-N -1 0 522.808 5.679 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632518 572288810 /nfs/dbraw/zinc/28/88/10/572288810.db2.gz JKIKDBXEGMTSLR-ZRGSRPPYSA-N -1 0 621.513 6.413 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[O-])n[nH]2)c1 ZINC000408633144 572289807 /nfs/dbraw/zinc/28/98/07/572289807.db2.gz LUNUXYJMEPUMBZ-VROXFSQNSA-N -1 0 593.459 5.920 40 30 KKEBRM C=CCOc1c(I)cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1I ZINC000408634925 572291980 /nfs/dbraw/zinc/29/19/80/572291980.db2.gz YAAPRVYJYFSDCM-MFOYZWKCSA-N -1 0 696.688 6.390 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OCC ZINC000106897436 1069716175 /nfs/dbraw/zinc/71/61/75/1069716175.db2.gz NIIAVQAMQFANCK-QUOHCSHWSA-N -1 0 521.745 7.059 40 30 KKEBRM C[C@@H](CC(=O)OC(C)(C)C)ON=C(C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000604940607 1069782823 /nfs/dbraw/zinc/78/28/23/1069782823.db2.gz KKLUBPWRDUAJML-QFIPXVFZSA-N -1 0 571.699 6.473 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409191473 1069798706 /nfs/dbraw/zinc/79/87/06/1069798706.db2.gz IGVWZDBCTVKDGI-PCLIKHOPSA-N -1 0 550.032 6.985 40 30 KKEBRM COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409210465 1069800403 /nfs/dbraw/zinc/80/04/03/1069800403.db2.gz IVGGQMOWYFCLLE-DHRITJCHSA-N -1 0 501.320 5.636 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408772448 1069885032 /nfs/dbraw/zinc/88/50/32/1069885032.db2.gz PIZILQDDTFGKBW-OEAKJJBVSA-N -1 0 565.851 6.385 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408781386 1069904595 /nfs/dbraw/zinc/90/45/95/1069904595.db2.gz RVLBDMLFXNZZCH-LFVJCYFKSA-N -1 0 531.008 6.021 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408783612 1069910813 /nfs/dbraw/zinc/91/08/13/1069910813.db2.gz NRSDUKZEMJBFED-OEAKJJBVSA-N -1 0 563.423 6.179 40 30 KKEBRM O=C1NC(=Nc2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000408783531 1069909843 /nfs/dbraw/zinc/90/98/43/1069909843.db2.gz MSTINAIZFRLFHV-TYPSZKACSA-N -1 0 701.484 8.686 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408784435 1069911462 /nfs/dbraw/zinc/91/14/62/1069911462.db2.gz BXJARCQPOMOEIX-SRZZPIQSSA-N -1 0 620.714 7.383 40 30 KKEBRM CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408790229 1069919234 /nfs/dbraw/zinc/91/92/34/1069919234.db2.gz OAEWHUIMMJASJK-AREMUKBSSA-N -1 0 525.557 5.104 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408785986 1069920715 /nfs/dbraw/zinc/92/07/15/1069920715.db2.gz DELDRLFZDZFXRR-LPYMAVHISA-N -1 0 569.814 6.216 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792112 1069930820 /nfs/dbraw/zinc/93/08/20/1069930820.db2.gz IBAVCBUZHGARAH-SILRWXEESA-N -1 0 604.853 6.456 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000408797845 1069932322 /nfs/dbraw/zinc/93/23/22/1069932322.db2.gz UBXZVBWFYCMETC-RUZDIDTESA-N -1 0 590.426 5.476 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408812253 1069967528 /nfs/dbraw/zinc/96/75/28/1069967528.db2.gz OEACYRBGOOOTDB-UQQQWYQISA-N -1 0 515.587 6.332 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815800 1069970988 /nfs/dbraw/zinc/97/09/88/1069970988.db2.gz VAGOKWJIOAXVLJ-NHDPSOOVSA-N -1 0 529.401 6.171 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S2)cc1 ZINC000408820372 1069993838 /nfs/dbraw/zinc/99/38/38/1069993838.db2.gz XISGEFALERBFEL-MYYYXRDXSA-N -1 0 514.990 6.662 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408820706 1069994420 /nfs/dbraw/zinc/99/44/20/1069994420.db2.gz YGQIGCGPRGLCIF-OCKHKDLRSA-N -1 0 520.825 6.644 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408827676 1070007630 /nfs/dbraw/zinc/00/76/30/1070007630.db2.gz LTKMGMXSMFLSHH-KUVNRZIVSA-N -1 0 623.709 6.251 40 30 KKEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408837021 1070029028 /nfs/dbraw/zinc/02/90/28/1070029028.db2.gz XVIGTFDEWAHHNE-LFVJCYFKSA-N -1 0 502.954 5.459 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000408834908 1070035535 /nfs/dbraw/zinc/03/55/35/1070035535.db2.gz VMKWSXIFPTVCMF-BUVRLJJBSA-N -1 0 547.007 5.857 40 30 KKEBRM 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5.362 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408854649 1070072836 /nfs/dbraw/zinc/07/28/36/1070072836.db2.gz AQWQNKHWVCSQHD-AFUMVMLFSA-N -1 0 554.599 5.405 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000408854712 1070073300 /nfs/dbraw/zinc/07/33/00/1070073300.db2.gz BMENCCCZDLDMNQ-WQLSENKSSA-N -1 0 589.238 5.003 40 30 KKEBRM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccccc1 ZINC000408880201 1070105712 /nfs/dbraw/zinc/10/57/12/1070105712.db2.gz FAGOZNHASBQWJK-FWVGVEIRSA-N -1 0 550.316 7.100 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccc(C)cc1 ZINC000408905780 1070178833 /nfs/dbraw/zinc/17/88/33/1070178833.db2.gz DSXJOGRFJQTOAQ-HDKKRFQTSA-N -1 0 590.224 5.534 40 30 KKEBRM O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)cc(I)c2[O-])sc2c1CCCC2 ZINC000408907260 1070181904 /nfs/dbraw/zinc/18/19/04/1070181904.db2.gz AHTNKAIMPRWGRN-ROTLSHHCSA-N -1 0 536.822 6.593 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912114 1070188565 /nfs/dbraw/zinc/18/85/65/1070188565.db2.gz LTRGMVNUDPTTPX-GQKMNLJRSA-N -1 0 533.444 5.634 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)N2CC(C)C)cc1 ZINC000408908944 1070195694 /nfs/dbraw/zinc/19/56/94/1070195694.db2.gz FGTCBAJRFIAMTL-BGGVIUSWSA-N -1 0 618.278 6.170 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408908882 1070195822 /nfs/dbraw/zinc/19/58/22/1070195822.db2.gz SWTYORHQIKDUEN-NVHABHRXSA-N -1 0 566.417 5.166 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OC(C)C ZINC000408916877 1070206095 /nfs/dbraw/zinc/20/60/95/1070206095.db2.gz HVIYMWILYKUXAL-PDSYLDJCSA-N -1 0 502.592 5.985 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408917392 1070207668 /nfs/dbraw/zinc/20/76/68/1070207668.db2.gz SQEYSYOSGYKSKJ-MFMIGPSVSA-N -1 0 657.586 8.238 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000408917281 1070207689 /nfs/dbraw/zinc/20/76/89/1070207689.db2.gz QIJJLEFXJVQCFO-ZOVRHNTISA-N -1 0 593.661 6.215 40 30 KKEBRM COc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000408918158 1070230633 /nfs/dbraw/zinc/23/06/33/1070230633.db2.gz GYUHZLOFBPRFET-MUJXZEHWSA-N -1 0 553.434 5.969 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408918488 1070231574 /nfs/dbraw/zinc/23/15/74/1070231574.db2.gz LCTPCRQTPIJUHT-QUGREGSQSA-N -1 0 643.559 7.848 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408929057 1070254369 /nfs/dbraw/zinc/25/43/69/1070254369.db2.gz PSNVARJSBDUFBT-YNHMEYCFSA-N -1 0 655.514 5.639 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929113 1070254729 /nfs/dbraw/zinc/25/47/29/1070254729.db2.gz HEBOMGJOELPACG-ZOFQVTLASA-N -1 0 541.673 6.578 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930204 1070259185 /nfs/dbraw/zinc/25/91/85/1070259185.db2.gz UATYEAHCUYGKBJ-KQEJLNDGSA-N -1 0 530.046 5.426 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930840 1070261242 /nfs/dbraw/zinc/26/12/42/1070261242.db2.gz CRZFCIYKHGHECI-ZHELPIKKSA-N -1 0 569.595 6.674 40 30 KKEBRM O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408931091 1070262177 /nfs/dbraw/zinc/26/21/77/1070262177.db2.gz HBVRELYUCNDRJG-NOMMCYAHSA-N -1 0 608.430 6.299 40 30 KKEBRM CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccc(OC)cc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)o2)cc1 ZINC000408933437 1070265721 /nfs/dbraw/zinc/26/57/21/1070265721.db2.gz JQJZXYVLGORKPY-HLSVHVALSA-N -1 0 582.634 6.634 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933760 1070266888 /nfs/dbraw/zinc/26/68/88/1070266888.db2.gz KPFQEJHXTAWNTL-BISDZQDMSA-N -1 0 612.664 6.522 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933675 1070267054 /nfs/dbraw/zinc/26/70/54/1070267054.db2.gz JXBXZJBCGULEIF-UIMOKLRASA-N -1 0 608.119 7.854 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)cs3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935190 1070272316 /nfs/dbraw/zinc/27/23/16/1070272316.db2.gz MWXDHNDEYKFPJV-BJVKLOITSA-N -1 0 529.437 6.022 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OC)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935704 1070274072 /nfs/dbraw/zinc/27/40/72/1070274072.db2.gz NIBLOWQQTJCAMI-QITZVISUSA-N -1 0 539.009 5.868 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932136 1070278934 /nfs/dbraw/zinc/27/89/34/1070278934.db2.gz UMUAFTPVIFKOOC-REQPUJRNSA-N -1 0 665.167 8.592 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cn(CC#N)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932033 1070278999 /nfs/dbraw/zinc/27/89/99/1070278999.db2.gz AXRRDLUCBSJRTD-VHOCVAHHSA-N -1 0 522.586 5.676 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408932517 1070279829 /nfs/dbraw/zinc/27/98/29/1070279829.db2.gz CVYHBAHJMJSLNS-PYDPJRFUSA-N -1 0 581.488 6.667 40 30 KKEBRM CCOc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408941339 1070288627 /nfs/dbraw/zinc/28/86/27/1070288627.db2.gz VOVARHXBJHGJJE-JNGXCMENSA-N -1 0 553.036 6.258 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408951572 1070320612 /nfs/dbraw/zinc/32/06/12/1070320612.db2.gz LWVIUZWKIQBIOW-DPNNOFEESA-N -1 0 661.755 7.435 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(N(C)C)cc1 ZINC000408965532 1070331042 /nfs/dbraw/zinc/33/10/42/1070331042.db2.gz IIPPXXJFUIFQAO-SBZDMIGCSA-N -1 0 531.634 5.662 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408985684 1070346629 /nfs/dbraw/zinc/34/66/29/1070346629.db2.gz XPCSVPALAZKOPF-UCQKPKSFSA-N -1 0 531.952 5.531 40 30 KKEBRM C#CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409038587 1070429104 /nfs/dbraw/zinc/42/91/04/1070429104.db2.gz ABSKUHONMMVJSC-UHFFFAOYSA-N -1 0 619.350 5.994 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1O ZINC000409043714 1070449524 /nfs/dbraw/zinc/44/95/24/1070449524.db2.gz ZGYQDPJQNPFWHT-UHFFFAOYSA-N -1 0 581.301 5.687 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409053281 1070456552 /nfs/dbraw/zinc/45/65/52/1070456552.db2.gz BRSGDZFEYUGKTJ-NTEUORMPSA-N -1 0 554.622 5.405 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccccc2F)C2=C1CCCC2=O ZINC000409060269 1070472732 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CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1Cl ZINC000409075984 1070490039 /nfs/dbraw/zinc/49/00/39/1070490039.db2.gz ZXQZDEPCJCSVOC-UHFFFAOYSA-N -1 0 685.055 8.241 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409069902 1070494639 /nfs/dbraw/zinc/49/46/39/1070494639.db2.gz BJZNNUTZRVAWIR-UHFFFAOYSA-N -1 0 646.224 8.207 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070666 1070496219 /nfs/dbraw/zinc/49/62/19/1070496219.db2.gz OIGHCSCZFUAJFY-UHFFFAOYSA-N -1 0 745.654 8.463 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409071048 1070496276 /nfs/dbraw/zinc/49/62/76/1070496276.db2.gz IDZSDFCKMLLSSI-SSDVNMTOSA-N -1 0 571.844 6.629 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cccc(OCc3ccccc3Cl)c2)C2=C1CCCC2=O ZINC000409071512 1070497640 /nfs/dbraw/zinc/49/76/40/1070497640.db2.gz PEWLBJXIAAJZMI-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409072237 1070498488 /nfs/dbraw/zinc/49/84/88/1070498488.db2.gz MTAITUIEJDQDEA-UHFFFAOYSA-N -1 0 591.704 7.044 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409073094 1070499633 /nfs/dbraw/zinc/49/96/33/1070499633.db2.gz XGALNPFIXDQCGH-UHFFFAOYSA-N -1 0 691.040 7.031 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409080142 1070502017 /nfs/dbraw/zinc/50/20/17/1070502017.db2.gz LYEQSZQBHROYKA-ZQYOCUCXSA-N -1 0 571.054 7.434 40 30 KKEBRM CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074033 1070501000 /nfs/dbraw/zinc/50/10/00/1070501000.db2.gz XLUNXFZKVZTDJK-DHRITJCHSA-N -1 0 546.317 5.626 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCC(=O)[O-])c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409089085 1070523435 /nfs/dbraw/zinc/52/34/35/1070523435.db2.gz HEPZUZRGGVCWNP-QJXIHOQNSA-N -1 0 603.966 7.781 40 30 KKEBRM COc1ccc(Oc2ccc(/N=C/c3cc(Br)cc(I)c3[O-])cc2)cc1 ZINC000409099168 1070532185 /nfs/dbraw/zinc/53/21/85/1070532185.db2.gz JWUDTNMGJUOWLS-FSJBWODESA-N -1 0 524.152 6.311 40 30 KKEBRM COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000409099400 1070532813 /nfs/dbraw/zinc/53/28/13/1070532813.db2.gz SAMGXEAVHNXDMU-UHJIOYGOSA-N -1 0 543.645 5.806 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409134528 1070559032 /nfs/dbraw/zinc/55/90/32/1070559032.db2.gz SAJIFCMPXOXHDI-WPWMEQJKSA-N -1 0 619.114 6.506 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000409236609 1070652591 /nfs/dbraw/zinc/65/25/91/1070652591.db2.gz SGIJRSVKYHFWNJ-BPCDVYBOSA-N -1 0 523.380 5.074 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409277091 1070701799 /nfs/dbraw/zinc/70/17/99/1070701799.db2.gz YXNHRXSEDQOUPM-CYBMUJFWSA-N -1 0 595.288 5.352 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409281728 1070732150 /nfs/dbraw/zinc/73/21/50/1070732150.db2.gz LPSDXFQAVPEHNK-UHFFFAOYSA-N -1 0 529.593 5.248 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409292133 1070744845 /nfs/dbraw/zinc/74/48/45/1070744845.db2.gz CPYCNAJFECKBLH-UHFFFAOYSA-N -1 0 535.442 5.753 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409292701 1070746354 /nfs/dbraw/zinc/74/63/54/1070746354.db2.gz FSQGFAGUKUDRHN-SFHVURJKSA-N -1 0 616.468 6.434 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409292708 1070746397 /nfs/dbraw/zinc/74/63/97/1070746397.db2.gz FVRIFZXKEFCSRZ-UHFFFAOYSA-N -1 0 737.788 8.156 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409294183 1070749920 /nfs/dbraw/zinc/74/99/20/1070749920.db2.gz ABQVZNJRLXDHAT-UHFFFAOYSA-N -1 0 586.570 6.308 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000409294667 1070750968 /nfs/dbraw/zinc/75/09/68/1070750968.db2.gz CAHDRWLHZWUUOO-UHFFFAOYSA-N -1 0 526.549 5.512 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409287435 1070755097 /nfs/dbraw/zinc/75/50/97/1070755097.db2.gz VHGKEQHIJPXJHC-UHFFFAOYSA-N -1 0 747.396 7.901 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1OCC(=O)[O-] ZINC000409291187 1070764209 /nfs/dbraw/zinc/76/42/09/1070764209.db2.gz PBWMFHDUPLOZTR-UHFFFAOYSA-N -1 0 543.963 5.546 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409295978 1070765658 /nfs/dbraw/zinc/76/56/58/1070765658.db2.gz PSVPREBQACAEOK-NSHDSACASA-N -1 0 646.130 5.550 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409297053 1070768135 /nfs/dbraw/zinc/76/81/35/1070768135.db2.gz VRYUXQDDZRSRNV-NRFANRHFSA-N -1 0 569.658 5.975 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409298451 1070771276 /nfs/dbraw/zinc/77/12/76/1070771276.db2.gz WXWJXWZAKQFACE-UHFFFAOYSA-N -1 0 552.590 6.702 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C ZINC000409309678 1070790125 /nfs/dbraw/zinc/79/01/25/1070790125.db2.gz KVKLOBMOLCOIOI-UHFFFAOYSA-N -1 0 551.441 5.255 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409308312 1070787513 /nfs/dbraw/zinc/78/75/13/1070787513.db2.gz WZNYAVMBPTWGIH-LJQANCHMSA-N -1 0 669.516 6.241 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409323024 1070812074 /nfs/dbraw/zinc/81/20/74/1070812074.db2.gz MNJCIHZZQJKJSX-ZDUSSCGKSA-N -1 0 611.718 6.357 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409322883 1070812282 /nfs/dbraw/zinc/81/22/82/1070812282.db2.gz LOUQCCRGSOCWKR-UHFFFAOYSA-N -1 0 644.276 5.942 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409317815 1070822460 /nfs/dbraw/zinc/82/24/60/1070822460.db2.gz WBHNNSVIVCNKSB-INIZCTEOSA-N -1 0 690.332 6.445 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409327511 1070828162 /nfs/dbraw/zinc/82/81/62/1070828162.db2.gz USFJFVWAKYXWOW-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)cc(I)c3OCc3ccccc3C#N)C2=O)cc1 ZINC000408895280 1070846579 /nfs/dbraw/zinc/84/65/79/1070846579.db2.gz DOBIYQJDHMFLNY-SRZZPIQSSA-N -1 0 689.247 5.321 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000409325287 1070842434 /nfs/dbraw/zinc/84/24/34/1070842434.db2.gz XNQQIKLUAPVJKQ-QGZVFWFLSA-N -1 0 534.410 5.832 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc(Br)cc1 ZINC000409336573 1070857058 /nfs/dbraw/zinc/85/70/58/1070857058.db2.gz PTKZSALZKRZKLB-OZACXRCISA-N -1 0 544.496 6.259 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337688 1070859264 /nfs/dbraw/zinc/85/92/64/1070859264.db2.gz XZOCWLCOLMSPKM-BCNTYESTSA-N -1 0 623.392 7.021 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409347712 1070864404 /nfs/dbraw/zinc/86/44/04/1070864404.db2.gz QTVJEKOWJRCOLV-UDWIEESQSA-N -1 0 548.480 5.441 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC000409404961 1070924308 /nfs/dbraw/zinc/92/43/08/1070924308.db2.gz RRVHVEZGECQEHU-AWEZNQCLSA-N -1 0 571.225 5.323 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)cc(I)c3OCc3ccccc3C#N)C2=O)c1 ZINC000408898829 1070953442 /nfs/dbraw/zinc/95/34/42/1070953442.db2.gz MUQCVHPGURLWAY-SSDVNMTOSA-N -1 0 703.274 5.630 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408909598 1070975266 /nfs/dbraw/zinc/97/52/66/1070975266.db2.gz HJBPXMMVSPIZOI-AFUMVMLFSA-N -1 0 525.536 5.070 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408909343 1070978366 /nfs/dbraw/zinc/97/83/66/1070978366.db2.gz GMYPUJJFPRKMDD-YUZBPNJXSA-N -1 0 594.471 5.864 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1cc(C)ccc1C ZINC000408908783 1070982799 /nfs/dbraw/zinc/98/27/99/1070982799.db2.gz RXWCVRUNJMYYFR-LTMWAVIFSA-N -1 0 566.417 5.004 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1O ZINC000408916992 1070993635 /nfs/dbraw/zinc/99/36/35/1070993635.db2.gz KETVSTMANXATDN-VQQYLBFOSA-N -1 0 514.603 6.022 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408917050 1070994161 /nfs/dbraw/zinc/99/41/61/1070994161.db2.gz LNTBZQDXSFIREN-RGYAJZRCSA-N -1 0 721.529 7.289 40 30 KKEBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408917075 1070994885 /nfs/dbraw/zinc/99/48/85/1070994885.db2.gz MADKCRGVEYNCIJ-QNVYEQHJSA-N -1 0 551.064 7.028 40 30 KKEBRM CCOC(=O)COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408916881 1070995515 /nfs/dbraw/zinc/99/55/15/1070995515.db2.gz HXEHMPFCYLDRTE-XKMUICFYSA-N -1 0 560.628 5.530 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)O[C@@H]1c1cccc(OC)c1OCC(=O)[O-] ZINC000585266319 1071003902 /nfs/dbraw/zinc/00/39/02/1071003902.db2.gz NPUKPHNBMCXMNV-KSZYUSJVSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2ccc(OC)cc2)O[C@@H]1c1cccc(F)c1OCC(=O)[O-] ZINC000585267843 1071005664 /nfs/dbraw/zinc/00/56/64/1071005664.db2.gz RZIGRQJSWPHJPD-SFUJYVBYSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)O[C@@H]1c1cc(OC)ccc1OCC(=O)[O-] ZINC000585267644 1071006446 /nfs/dbraw/zinc/00/64/46/1071006446.db2.gz RMJAUYKPMMBEPH-YQHHHJOQSA-N -1 0 510.989 7.130 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408915600 1071007073 /nfs/dbraw/zinc/00/70/73/1071007073.db2.gz YIBRANAOICLJFB-UFFVCSGVSA-N -1 0 564.367 5.104 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)cc(Br)c3[O-])C(=O)N2CCc2ccccc2)cc1 ZINC000408912522 1071022744 /nfs/dbraw/zinc/02/27/44/1071022744.db2.gz NIZWPNZNKOHFRZ-FULWLJFZSA-N -1 0 572.322 7.072 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408912603 1071023291 /nfs/dbraw/zinc/02/32/91/1071023291.db2.gz REWKHWZYDXMMDL-SYCUJBBPSA-N -1 0 614.461 5.876 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408910753 1071066192 /nfs/dbraw/zinc/06/61/92/1071066192.db2.gz HSJWSPHHIZPNPM-YUZBPNJXSA-N -1 0 547.471 6.022 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408918771 1071128080 /nfs/dbraw/zinc/12/80/80/1071128080.db2.gz OWWZVDCFUWJYMW-CIRBIFNISA-N -1 0 611.651 6.354 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408918578 1071133596 /nfs/dbraw/zinc/13/35/96/1071133596.db2.gz MDRNUWHFUYTFEQ-GVMIDXADSA-N -1 0 575.646 6.648 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408917933 1071141188 /nfs/dbraw/zinc/14/11/88/1071141188.db2.gz CVPCMUIXKGMAJI-CIRBIFNISA-N -1 0 816.455 8.376 40 30 KKEBRM Cc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1 ZINC000408917382 1071149044 /nfs/dbraw/zinc/14/90/44/1071149044.db2.gz SKESAKQALXWTPD-SUORVCCOSA-N -1 0 507.615 6.597 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408931617 1071149854 /nfs/dbraw/zinc/14/98/54/1071149854.db2.gz NYMGVRSDMRFRMW-QHMIWGDOSA-N -1 0 799.481 8.542 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408931032 1071155028 /nfs/dbraw/zinc/15/50/28/1071155028.db2.gz GGEAXOOXMOCEEH-OZOPNLFCSA-N -1 0 642.329 7.153 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000408930722 1071156988 /nfs/dbraw/zinc/15/69/88/1071156988.db2.gz BCJRAQZICKVUAI-QRKRGIGUSA-N -1 0 503.020 6.156 40 30 KKEBRM Cc1cccc(COc2ccc(/C=C3\S/C(=N\c4cccc(C(=O)[O-])c4C)N(C)C3=O)cc2I)c1 ZINC000408931175 1071153779 /nfs/dbraw/zinc/15/37/79/1071153779.db2.gz IAIVIESALUATHU-GQHTZDRWSA-N -1 0 598.462 6.419 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)o1 ZINC000408929637 1071169524 /nfs/dbraw/zinc/16/95/24/1071169524.db2.gz LXRKGAZUQMLVMN-USPLRNBBSA-N -1 0 503.580 5.024 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928751 1071179481 /nfs/dbraw/zinc/17/94/81/1071179481.db2.gz HJSICONEUORPLD-ZOFQVTLASA-N -1 0 541.673 6.578 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928665 1071182992 /nfs/dbraw/zinc/18/29/92/1071182992.db2.gz DBDICHGIOHGSKC-KAOCIJRYSA-N -1 0 670.367 6.131 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000408936675 1071210178 /nfs/dbraw/zinc/21/01/78/1071210178.db2.gz PNISFAOENJSADH-LBUHLANVSA-N -1 0 697.567 7.963 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408936267 1071212169 /nfs/dbraw/zinc/21/21/69/1071212169.db2.gz OYIRBSWVNIGBIT-MCLXNYAESA-N -1 0 721.529 7.289 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408936340 1071212851 /nfs/dbraw/zinc/21/28/51/1071212851.db2.gz PFPCZLZVGKHCAY-ICEIDMMXSA-N -1 0 571.482 7.212 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935193 1071226020 /nfs/dbraw/zinc/22/60/20/1071226020.db2.gz MXBVKRDDOWCAEJ-ZHELPIKKSA-N -1 0 569.595 6.674 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408934698 1071231098 /nfs/dbraw/zinc/23/10/98/1071231098.db2.gz MEWAENMJJWYPEK-QHMIWGDOSA-N -1 0 846.481 8.385 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408932954 1071246367 /nfs/dbraw/zinc/24/63/67/1071246367.db2.gz FZDMFWFQTKEDKI-NXOLVAEBSA-N -1 0 674.131 7.737 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)cc(OC)c3OC)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932435 1071252573 /nfs/dbraw/zinc/25/25/73/1071252573.db2.gz XAMFKLCMSWOWMN-ABNWFOHISA-N -1 0 583.460 5.977 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408932786 1071247446 /nfs/dbraw/zinc/24/74/46/1071247446.db2.gz ZGHLSRCXMLJUEH-CQUHNDBISA-N -1 0 502.592 5.823 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408932184 1071253099 /nfs/dbraw/zinc/25/30/99/1071253099.db2.gz BMYXCZWGMCVAOM-YWXGCGDTSA-N -1 0 708.030 8.591 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccc(OC)c3OC(C)C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931875 1071257954 /nfs/dbraw/zinc/25/79/54/1071257954.db2.gz RKQKJWKJIBJIHF-OMKPBWPJSA-N -1 0 532.618 5.993 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408947239 1071263165 /nfs/dbraw/zinc/26/31/65/1071263165.db2.gz BKEDLDJXOQZORB-KPGMTVGESA-N -1 0 685.648 8.834 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408946543 1071268434 /nfs/dbraw/zinc/26/84/34/1071268434.db2.gz ANKYCGJBQNBFGG-VFLNYLIXSA-N -1 0 713.572 6.885 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OC)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408942283 1071300287 /nfs/dbraw/zinc/30/02/87/1071300287.db2.gz XGGYXFNBPJUSES-GWISFZTMSA-N -1 0 553.434 5.969 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)N2C)cccc1C(=O)[O-] ZINC000408941331 1071309955 /nfs/dbraw/zinc/30/99/55/1071309955.db2.gz VOGZOUJWNPWHLI-JEQQQZIYSA-N -1 0 524.602 5.520 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000408940534 1071315429 /nfs/dbraw/zinc/31/54/29/1071315429.db2.gz UXJXFPWGXGNECP-ZLEOPLMGSA-N -1 0 527.602 5.776 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OC ZINC000408940537 1071316076 /nfs/dbraw/zinc/31/60/76/1071316076.db2.gz UXSUNHMAAYLMEJ-PYDPJRFUSA-N -1 0 597.487 6.367 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000408939850 1071320963 /nfs/dbraw/zinc/32/09/63/1071320963.db2.gz UNOOKWWYBCIXSE-XNXLFWIOSA-N -1 0 618.671 7.200 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408939651 1071322018 /nfs/dbraw/zinc/32/20/18/1071322018.db2.gz TVKSGAOGRSEKRZ-GJDRURRNSA-N -1 0 706.558 7.390 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccccc3OCc3ccc(I)cc3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408938728 1071329091 /nfs/dbraw/zinc/32/90/91/1071329091.db2.gz SBCXQGJOXBIBNZ-GWISFZTMSA-N -1 0 584.435 6.111 40 30 KKEBRM CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1 ZINC000408938046 1071334469 /nfs/dbraw/zinc/33/44/69/1071334469.db2.gz RONPKDYEDMGCEN-LEGKVYBRSA-N -1 0 545.661 6.052 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408937456 1071340076 /nfs/dbraw/zinc/34/00/76/1071340076.db2.gz QROCZTSMSKQXMV-QHMIWGDOSA-N -1 0 708.030 8.591 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408951790 1071348930 /nfs/dbraw/zinc/34/89/30/1071348930.db2.gz MPUVQFDOQCKVHK-UFFVCSGVSA-N -1 0 581.408 5.705 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408950994 1071354140 /nfs/dbraw/zinc/35/41/40/1071354140.db2.gz KPSQEURMTLXRRX-WYMPLXKRSA-N -1 0 545.035 5.495 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408951580 1071351203 /nfs/dbraw/zinc/35/12/03/1071351203.db2.gz LXOZALCKPKYGIO-AMVVHIIESA-N -1 0 680.599 7.433 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408956005 1071380070 /nfs/dbraw/zinc/38/00/70/1071380070.db2.gz ZMLPGRHGCOYANF-OEAKJJBVSA-N -1 0 583.460 6.025 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408694843 1071386424 /nfs/dbraw/zinc/38/64/24/1071386424.db2.gz NFFVETYMFBUJFC-HZHRSRAPSA-N -1 0 600.453 5.402 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408694744 1071386918 /nfs/dbraw/zinc/38/69/18/1071386918.db2.gz MEBARKQNPQASRQ-OVVQPSECSA-N -1 0 524.617 5.950 40 30 KKEBRM N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408953860 1071393718 /nfs/dbraw/zinc/39/37/18/1071393718.db2.gz QEFNFVJKLFHLNL-FJEPWZHXSA-N -1 0 636.546 7.034 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408953241 1071396863 /nfs/dbraw/zinc/39/68/63/1071396863.db2.gz PIHWREJLLWXNNU-IBBHUPRXSA-N -1 0 671.621 8.444 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408963110 1071403942 /nfs/dbraw/zinc/40/39/42/1071403942.db2.gz ABQRFHOPEVJJMP-LPYMAVHISA-N -1 0 571.424 6.156 40 30 KKEBRM CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408961355 1071406134 /nfs/dbraw/zinc/40/61/34/1071406134.db2.gz RXYNABFKFMAYKG-YHEUAIPESA-N -1 0 529.618 5.034 40 30 KKEBRM COCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(OC)cc1 ZINC000408961354 1071406205 /nfs/dbraw/zinc/40/62/05/1071406205.db2.gz RWKCFOJKYSNQKP-KSVGNYRWSA-N -1 0 518.591 5.223 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(F)cc1 ZINC000408965959 1071412256 /nfs/dbraw/zinc/41/22/56/1071412256.db2.gz KLNAGCVOUYSHQJ-OLZWGXQXSA-N -1 0 506.555 5.735 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000408964688 1071417055 /nfs/dbraw/zinc/41/70/55/1071417055.db2.gz FEMNABFISBQUED-YHEUAIPESA-N -1 0 532.618 5.613 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000408965125 1071415754 /nfs/dbraw/zinc/41/57/54/1071415754.db2.gz GUESOJHRSNWVBS-YHEUAIPESA-N -1 0 532.618 5.613 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1 ZINC000408962168 1071428269 /nfs/dbraw/zinc/42/82/69/1071428269.db2.gz WWAMRXKYLFWTPZ-XYSSONSLSA-N -1 0 521.598 6.163 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408960564 1071431752 /nfs/dbraw/zinc/43/17/52/1071431752.db2.gz MTJMCPYZGZGQKQ-UQLAIIKNSA-N -1 0 506.583 6.772 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)cc2Cl)cc1 ZINC000408959962 1071435083 /nfs/dbraw/zinc/43/50/83/1071435083.db2.gz BCRGXHPVTLRGNT-VXLYETTFSA-N -1 0 568.265 7.469 40 30 KKEBRM COc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408968283 1071462191 /nfs/dbraw/zinc/46/21/91/1071462191.db2.gz XVCKBEPMERTTGD-STBIYBPSSA-N -1 0 514.559 6.782 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408987185 1071483136 /nfs/dbraw/zinc/48/31/36/1071483136.db2.gz ASMQYMATLKPYRC-ZMFRSBBQSA-N -1 0 688.168 7.851 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408985999 1071495576 /nfs/dbraw/zinc/49/55/76/1071495576.db2.gz ZAPJOLWKAUSVDV-UCQKPKSFSA-N -1 0 521.400 6.276 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408985854 1071496317 /nfs/dbraw/zinc/49/63/17/1071496317.db2.gz BGMRTNYUVZULKE-FMCGGJTJSA-N -1 0 599.898 7.328 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408985477 1071498571 /nfs/dbraw/zinc/49/85/71/1071498571.db2.gz XAQQYWYICUYFJG-UCQKPKSFSA-N -1 0 565.851 6.385 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408985331 1071500611 /nfs/dbraw/zinc/50/06/11/1071500611.db2.gz AOZKNTKCIDKZSY-OYKKKHCWSA-N -1 0 548.998 6.160 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408984912 1071503870 /nfs/dbraw/zinc/50/38/70/1071503870.db2.gz UGIXNDJQBCTXJC-MTJSOVHGSA-N -1 0 555.845 6.929 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3ccc([O-])c(Br)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408726293 1071513307 /nfs/dbraw/zinc/51/33/07/1071513307.db2.gz RNJBTDQISYYHFN-WKULSOCRSA-N -1 0 503.352 6.721 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408983074 1071520980 /nfs/dbraw/zinc/52/09/80/1071520980.db2.gz KDFDLKXUQOCTOJ-UCQKPKSFSA-N -1 0 504.945 5.761 40 30 KKEBRM Cc1nc(N)c(C#N)c(-c2cc(Br)cc(I)c2[O-])c1-c1ccccc1 ZINC000408979608 1071543642 /nfs/dbraw/zinc/54/36/42/1071543642.db2.gz NFIIAWHKXXYIGD-UHFFFAOYSA-N -1 0 506.141 5.251 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408729485 1071592531 /nfs/dbraw/zinc/59/25/31/1071592531.db2.gz GDTOABCPIRRYDD-ZCWBPALNSA-N -1 0 653.927 7.003 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408988292 1071605705 /nfs/dbraw/zinc/60/57/05/1071605705.db2.gz HOLVJYUMLGHHED-OYKKKHCWSA-N -1 0 565.453 6.538 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c([O-])c(Br)c3)S2)cc1Cl ZINC000408738882 1071606013 /nfs/dbraw/zinc/60/60/13/1071606013.db2.gz PQNWDAPCPSOKAU-NSIKDUERSA-N -1 0 502.615 5.771 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408988157 1071607218 /nfs/dbraw/zinc/60/72/18/1071607218.db2.gz HGQYLRHSTGTKHG-YUMHPJSZSA-N -1 0 567.041 6.784 40 30 KKEBRM Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408996474 1071618103 /nfs/dbraw/zinc/61/81/03/1071618103.db2.gz PKUDHENUMMYFQU-MTJSOVHGSA-N -1 0 696.304 6.373 40 30 KKEBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408743284 1071618328 /nfs/dbraw/zinc/61/83/28/1071618328.db2.gz VQGVMTLBWXTZMK-HMHIXTCJSA-N -1 0 555.435 5.275 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000408995986 1071619997 /nfs/dbraw/zinc/61/99/97/1071619997.db2.gz GGIIESFYUUSMJZ-HAHDFKILSA-N -1 0 580.456 6.270 40 30 KKEBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(C(=O)[O-])c3C)c2-c2ccccc2)cc1 ZINC000408742115 1071622233 /nfs/dbraw/zinc/62/22/33/1071622233.db2.gz NBQDRTVFXNBXAW-PPOKSSTKSA-N -1 0 500.598 7.967 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=N\NC(=S)Nc3ccccc3)cc2I)cc1 ZINC000409002122 1071641900 /nfs/dbraw/zinc/64/19/00/1071641900.db2.gz SPKKAFPBIPQWMR-ROTLSHHCSA-N -1 0 657.271 5.494 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)ccc1Br ZINC000408755305 1071645969 /nfs/dbraw/zinc/64/59/69/1071645969.db2.gz JKHYOVFQGQJJAS-DJKKODMXSA-N -1 0 629.692 6.291 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408754827 1071648766 /nfs/dbraw/zinc/64/87/66/1071648766.db2.gz LLAUQSGNNMAGLF-HZHRSRAPSA-N -1 0 549.396 5.871 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408753722 1071656845 /nfs/dbraw/zinc/65/68/45/1071656845.db2.gz HMKHKTMIBLJDIX-LFVJCYFKSA-N -1 0 575.459 6.130 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408752600 1071663252 /nfs/dbraw/zinc/66/32/52/1071663252.db2.gz IPKIZPKSOQFVQQ-MHWRWJLKSA-N -1 0 519.779 5.041 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Br ZINC000408748663 1071689428 /nfs/dbraw/zinc/68/94/28/1071689428.db2.gz GDJRYKOYAGBCBZ-GIDUJCDVSA-N -1 0 502.173 5.111 40 30 KKEBRM O=C([O-])COc1cc(Br)ccc1/C=C1/SC(=Nc2cc(Cl)ccc2Cl)NC1=O ZINC000408748740 1071689886 /nfs/dbraw/zinc/68/98/86/1071689886.db2.gz GZIAEPDZKKSQBQ-PJQLUOCWSA-N -1 0 502.173 5.111 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Br ZINC000408748554 1071690940 /nfs/dbraw/zinc/69/09/40/1071690940.db2.gz DZFKVDYJXHLRRL-VGOFMYFVSA-N -1 0 546.624 5.220 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408759574 1071701117 /nfs/dbraw/zinc/70/11/17/1071701117.db2.gz HHXRPANVLOTGFS-OEAKJJBVSA-N -1 0 687.328 6.345 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408758548 1071705040 /nfs/dbraw/zinc/70/50/40/1071705040.db2.gz MHEXOZWHGGSNRT-OEAKJJBVSA-N -1 0 606.429 5.648 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1F ZINC000408766457 1071715025 /nfs/dbraw/zinc/71/50/25/1071715025.db2.gz QXCWIXSWUHWZSW-PXLXIMEGSA-N -1 0 549.396 5.871 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409023028 1071716731 /nfs/dbraw/zinc/71/67/31/1071716731.db2.gz FFZABTLVDMNKAI-UHFFFAOYSA-N -1 0 671.426 7.561 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408765639 1071723307 /nfs/dbraw/zinc/72/33/07/1071723307.db2.gz WXMAEEQUJCQGSB-BUVRLJJBSA-N -1 0 654.355 6.893 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)S2)cc(C)c1Br ZINC000408763709 1071730686 /nfs/dbraw/zinc/73/06/86/1071730686.db2.gz QJBSBWPGUZWOBJ-XKZIYDEJSA-N -1 0 537.435 6.235 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)S2)cc(C)c1Br ZINC000408761798 1071738017 /nfs/dbraw/zinc/73/80/17/1071738017.db2.gz LPJQSPVBUPDIMI-CHHVJCJISA-N -1 0 619.129 5.946 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408762691 1071734617 /nfs/dbraw/zinc/73/46/17/1071734617.db2.gz FREBAVQKSVMBTF-BUVRLJJBSA-N -1 0 620.456 6.038 40 30 KKEBRM O=C([O-])COc1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1Br ZINC000409017767 1071734797 /nfs/dbraw/zinc/73/47/97/1071734797.db2.gz PIPBKWWCFMVQPH-LGJNPRDNSA-N -1 0 519.461 5.666 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408762787 1071735162 /nfs/dbraw/zinc/73/51/62/1071735162.db2.gz QQILZPWXDPPZSM-HZHRSRAPSA-N -1 0 561.432 5.740 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408775808 1071752558 /nfs/dbraw/zinc/75/25/58/1071752558.db2.gz UYHYSRCODIPTJG-PCLIKHOPSA-N -1 0 514.553 5.507 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)[O-] ZINC000409281290 1071752635 /nfs/dbraw/zinc/75/26/35/1071752635.db2.gz LZFFPHUQTDQNBG-UHFFFAOYSA-N -1 0 588.414 5.655 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000409280714 1071762562 /nfs/dbraw/zinc/76/25/62/1071762562.db2.gz KTQPVSYTQODIQD-UHFFFAOYSA-N -1 0 593.561 7.395 40 30 KKEBRM O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)cc1[N+](=O)[O-] ZINC000409281063 1071758680 /nfs/dbraw/zinc/75/86/80/1071758680.db2.gz LJGMFWBHYZGECK-UHFFFAOYSA-N -1 0 553.314 5.370 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409281074 1071758736 /nfs/dbraw/zinc/75/87/36/1071758736.db2.gz CMMGWEIAGALVTD-HNNXBMFYSA-N -1 0 610.848 6.358 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)cc2Br)cc1 ZINC000408774906 1071758977 /nfs/dbraw/zinc/75/89/77/1071758977.db2.gz DJKSIEWBMARHSI-GRSHGNNSSA-N -1 0 657.167 7.687 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OCc3cccc(C(=O)[O-])c3)c2)cc1C(C)C ZINC000409281086 1071759244 /nfs/dbraw/zinc/75/92/44/1071759244.db2.gz LKEGNQRFISAXKS-UHFFFAOYSA-N -1 0 575.665 7.053 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408774728 1071759553 /nfs/dbraw/zinc/75/95/53/1071759553.db2.gz QKPGHAFAJZEOAV-RGVLZGJSSA-N -1 0 583.769 5.062 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC000409280554 1071764610 /nfs/dbraw/zinc/76/46/10/1071764610.db2.gz JKPJHWXMFVEMQO-UHFFFAOYSA-N -1 0 694.174 6.414 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409280631 1071766335 /nfs/dbraw/zinc/76/63/35/1071766335.db2.gz LSGHGGLRLQILEQ-CYBMUJFWSA-N -1 0 675.717 6.731 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409279957 1071774700 /nfs/dbraw/zinc/77/47/00/1071774700.db2.gz IDFGKKHNMCAMST-IBGZPJMESA-N -1 0 670.988 7.443 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279952 1071774818 /nfs/dbraw/zinc/77/48/18/1071774818.db2.gz ICZRAQYEXBWRGB-UHFFFAOYSA-N -1 0 652.423 7.013 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409280056 1071776252 /nfs/dbraw/zinc/77/62/52/1071776252.db2.gz JJMRJZFXBFMQPN-UHFFFAOYSA-N -1 0 540.801 5.534 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279719 1071780861 /nfs/dbraw/zinc/78/08/61/1071780861.db2.gz HZXBQFQAECRDDA-UHFFFAOYSA-N -1 0 609.433 5.749 40 30 KKEBRM C[C@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000409279736 1071781324 /nfs/dbraw/zinc/78/13/24/1071781324.db2.gz IANOWHKJFXHEHI-HNNXBMFYSA-N -1 0 532.350 5.306 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OCc3cccc(C(=O)[O-])c3)c2)cc1C(C)C ZINC000409279432 1071785988 /nfs/dbraw/zinc/78/59/88/1071785988.db2.gz IUQGDLIYSFOKFE-UHFFFAOYSA-N -1 0 561.638 6.663 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1O[C@H](C)C(=O)[O-] ZINC000409279102 1071790213 /nfs/dbraw/zinc/79/02/13/1071790213.db2.gz GRPHZNAONPJPJX-MRXNPFEDSA-N -1 0 576.403 5.705 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409279034 1071793636 /nfs/dbraw/zinc/79/36/36/1071793636.db2.gz GEWZUAUAJFZLRP-HNNXBMFYSA-N -1 0 685.325 6.476 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409278679 1071798073 /nfs/dbraw/zinc/79/80/73/1071798073.db2.gz FJIKDZDNMJDSLK-HNNXBMFYSA-N -1 0 655.299 6.468 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408768381 1071800335 /nfs/dbraw/zinc/80/03/35/1071800335.db2.gz WTIKHDJQTKDWGO-WPWMEQJKSA-N -1 0 553.014 6.476 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409278623 1071801523 /nfs/dbraw/zinc/80/15/23/1071801523.db2.gz GKSYRIBONMZCEX-HNNXBMFYSA-N -1 0 559.928 5.869 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)[O-] ZINC000409278357 1071802279 /nfs/dbraw/zinc/80/22/79/1071802279.db2.gz DBXGUGWMPYKLBN-UHFFFAOYSA-N -1 0 596.821 5.970 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)[O-] ZINC000409278061 1071807184 /nfs/dbraw/zinc/80/71/84/1071807184.db2.gz CPYBRXLDYAOZTO-UHFFFAOYSA-N -1 0 627.245 5.689 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1I ZINC000408768040 1071805238 /nfs/dbraw/zinc/80/52/38/1071805238.db2.gz BJMYXBCITDZUMY-CXEDADEWSA-N -1 0 688.325 6.296 40 30 KKEBRM C[C@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409278143 1071808704 /nfs/dbraw/zinc/80/87/04/1071808704.db2.gz DCCDHGFFQYQCJT-KRWDZBQOSA-N -1 0 582.410 6.460 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409278142 1071808792 /nfs/dbraw/zinc/80/87/92/1071808792.db2.gz DMILBNZZEONDQR-UHFFFAOYSA-N -1 0 613.852 6.178 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409277926 1071809979 /nfs/dbraw/zinc/80/99/79/1071809979.db2.gz BXXPLBFLTUMCFC-CYBMUJFWSA-N -1 0 567.341 5.759 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409277944 1071810493 /nfs/dbraw/zinc/81/04/93/1071810493.db2.gz CGMBMEXFSKVRPE-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(I)c2)cc1C(C)C ZINC000409277491 1071818438 /nfs/dbraw/zinc/81/84/38/1071818438.db2.gz APOMLOMGONHQLP-UHFFFAOYSA-N -1 0 827.457 8.263 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277384 1071821800 /nfs/dbraw/zinc/82/18/00/1071821800.db2.gz BRVZZRXPXGINGY-UHFFFAOYSA-N -1 0 737.788 8.156 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1C(C)C ZINC000409293967 1071822951 /nfs/dbraw/zinc/82/29/51/1071822951.db2.gz MQBZNIQNVXZATC-HXUWFJFHSA-N -1 0 513.594 5.628 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409047042 1071827576 /nfs/dbraw/zinc/82/75/76/1071827576.db2.gz MGEWLGYREWBRBR-UHFFFAOYSA-N -1 0 600.514 7.482 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409046655 1071829562 /nfs/dbraw/zinc/82/95/62/1071829562.db2.gz KZUUQDPIVBWCLX-UHFFFAOYSA-N -1 0 671.426 7.561 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409293949 1071828191 /nfs/dbraw/zinc/82/81/91/1071828191.db2.gz KIAPTYIGRPKFIP-UHFFFAOYSA-N -1 0 513.617 5.460 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408778739 1071834018 /nfs/dbraw/zinc/83/40/18/1071834018.db2.gz XXPLJLHTRWYYQZ-KEBDBYFISA-N -1 0 595.247 5.637 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409293103 1071840679 /nfs/dbraw/zinc/84/06/79/1071840679.db2.gz WVSVIIKBUKZHFF-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409293464 1071836887 /nfs/dbraw/zinc/83/68/87/1071836887.db2.gz YQYNIEVJKNIDTB-INIZCTEOSA-N -1 0 531.952 5.596 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408778288 1071837708 /nfs/dbraw/zinc/83/77/08/1071837708.db2.gz CVYDLRRDEYDSDY-LPYMAVHISA-N -1 0 585.871 7.019 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409045097 1071843342 /nfs/dbraw/zinc/84/33/42/1071843342.db2.gz FNJDMCJHLWLTPZ-UHFFFAOYSA-N -1 0 616.969 7.996 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409044778 1071845448 /nfs/dbraw/zinc/84/54/48/1071845448.db2.gz DGPMJBKWRQDGDS-UHFFFAOYSA-N -1 0 627.521 7.251 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409291964 1071863211 /nfs/dbraw/zinc/86/32/11/1071863211.db2.gz CLCHJKOIQRGWMZ-UHFFFAOYSA-N -1 0 610.770 5.852 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409292005 1071863771 /nfs/dbraw/zinc/86/37/71/1071863771.db2.gz FCCAPVGQQXVQEZ-UHFFFAOYSA-N -1 0 596.821 5.970 40 30 KKEBRM C[C@@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1I)C(=O)[O-] ZINC000409292036 1071864269 /nfs/dbraw/zinc/86/42/69/1071864269.db2.gz FHPLBHQIQDGYAU-CYBMUJFWSA-N -1 0 739.691 6.406 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)c1 ZINC000408784238 1071866131 /nfs/dbraw/zinc/86/61/31/1071866131.db2.gz UXCSUCZBXKFJHM-UFFVCSGVSA-N -1 0 703.274 5.630 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409042667 1071868135 /nfs/dbraw/zinc/86/81/35/1071868135.db2.gz NZDJRYIRVFOMFG-NTUHNPAUSA-N -1 0 575.040 5.750 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408796903 1071877914 /nfs/dbraw/zinc/87/79/14/1071877914.db2.gz PRRWYVMPAADKMS-CTMKFROTSA-N -1 0 541.000 6.389 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408796945 1071877980 /nfs/dbraw/zinc/87/79/80/1071877980.db2.gz ZQHXNWFNSTZIKU-SLOBHAQXSA-N -1 0 523.010 6.168 40 30 KKEBRM CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408796390 1071879204 /nfs/dbraw/zinc/87/92/04/1071879204.db2.gz OUKWCWJHDUZYQW-AREMUKBSSA-N -1 0 604.453 5.866 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408795828 1071881270 /nfs/dbraw/zinc/88/12/70/1071881270.db2.gz NFZNZQCJOTYLJQ-GXMXPRDMSA-N -1 0 726.330 6.415 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408792947 1071887708 /nfs/dbraw/zinc/88/77/08/1071887708.db2.gz CGNOLLKZLVTXDW-SLOBHAQXSA-N -1 0 614.461 6.119 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@H](C)C(=O)[O-])c(Cl)c3)cc21 ZINC000409290797 1071887821 /nfs/dbraw/zinc/88/78/21/1071887821.db2.gz VBFXHYHONYBFCF-OAHLLOKOSA-N -1 0 517.925 5.206 40 30 KKEBRM Cc1cccc(COc2c(Br)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2Br)c1 ZINC000408792631 1071888240 /nfs/dbraw/zinc/88/82/40/1071888240.db2.gz BMLBTRMNXZALQC-GXMXPRDMSA-N -1 0 616.331 7.031 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408791315 1071890347 /nfs/dbraw/zinc/89/03/47/1071890347.db2.gz VZLJGPYGKOTTRB-DEOSSOPVSA-N -1 0 560.400 5.468 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409290489 1071893217 /nfs/dbraw/zinc/89/32/17/1071893217.db2.gz TYRHVBDMMQETDV-UHFFFAOYSA-N -1 0 604.501 6.569 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000408790534 1071893337 /nfs/dbraw/zinc/89/33/37/1071893337.db2.gz WVOITAJPBBKIHT-XMMPIXPASA-N -1 0 590.426 5.476 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408789530 1071895008 /nfs/dbraw/zinc/89/50/08/1071895008.db2.gz JVUMNUSEKHFEIM-BHQLSORBSA-N -1 0 603.494 7.122 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409290383 1071896502 /nfs/dbraw/zinc/89/65/02/1071896502.db2.gz SKASENKZCDUYFB-HNNXBMFYSA-N -1 0 621.326 6.102 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408787833 1071900202 /nfs/dbraw/zinc/90/02/02/1071900202.db2.gz GVNPBYBCJMCJSV-DIENZIEHSA-N -1 0 714.294 6.546 40 30 KKEBRM CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408787608 1071900695 /nfs/dbraw/zinc/90/06/95/1071900695.db2.gz COWIUXIOMABYLS-VWLOTQADSA-N -1 0 604.453 5.866 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I)C(=O)[O-] ZINC000409289820 1071906914 /nfs/dbraw/zinc/90/69/14/1071906914.db2.gz PENITJKVBLLTND-HNNXBMFYSA-N -1 0 579.350 5.148 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c3Br)cc21 ZINC000409289597 1071907916 /nfs/dbraw/zinc/90/79/16/1071907916.db2.gz HFZQULXUZGRZKS-AWEZNQCLSA-N -1 0 671.298 6.086 40 30 KKEBRM CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409050609 1071911224 /nfs/dbraw/zinc/91/12/24/1071911224.db2.gz XTPSIUCRXAYUCY-UHFFFAOYSA-N -1 0 609.355 6.381 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409289210 1071916595 /nfs/dbraw/zinc/91/65/95/1071916595.db2.gz LJPSDHVLNIOTKA-INIZCTEOSA-N -1 0 561.978 5.605 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409289235 1071917226 /nfs/dbraw/zinc/91/72/26/1071917226.db2.gz LQUXWQGXXJULNZ-UHFFFAOYSA-N -1 0 633.183 5.607 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289036 1071918692 /nfs/dbraw/zinc/91/86/92/1071918692.db2.gz KQWGNLUUXIWCEN-UHFFFAOYSA-N -1 0 699.423 6.855 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCC(C)C ZINC000409056010 1071923610 /nfs/dbraw/zinc/92/36/10/1071923610.db2.gz BXZFNMQLEOCYFE-CCBCPFMQSA-N -1 0 533.444 5.815 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409055956 1071925192 /nfs/dbraw/zinc/92/51/92/1071925192.db2.gz LUDOKHMBIBFLIK-YHSWEDCKSA-N -1 0 571.880 7.004 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)n(-c4ccc(OCC(=O)[O-])cc4)c3C)cc21 ZINC000409288605 1071926018 /nfs/dbraw/zinc/92/60/18/1071926018.db2.gz ICGKBNACLLANNU-UHFFFAOYSA-N -1 0 562.582 5.571 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1cccc(C)c1 ZINC000409055598 1071926641 /nfs/dbraw/zinc/92/66/41/1071926641.db2.gz CMRPITVWCQRTOB-GKKIUYLVSA-N -1 0 502.592 5.905 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000409287988 1071934713 /nfs/dbraw/zinc/93/47/13/1071934713.db2.gz BMPIRAWVWIYUEF-AWEZNQCLSA-N -1 0 577.347 5.215 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409054961 1071930141 /nfs/dbraw/zinc/93/01/41/1071930141.db2.gz HLUNWUSPOHLTKL-UHFFFAOYSA-N -1 0 689.416 7.700 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409054801 1071932659 /nfs/dbraw/zinc/93/26/59/1071932659.db2.gz NZBJPXFOGWNITJ-PRJMYGIHSA-N -1 0 562.445 6.222 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409287999 1071934637 /nfs/dbraw/zinc/93/46/37/1071934637.db2.gz BPWBGQOBRCBFSH-GOSISDBHSA-N -1 0 553.571 5.290 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409288070 1071936125 /nfs/dbraw/zinc/93/61/25/1071936125.db2.gz CJFQVSKSZSEHLZ-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409288111 1071936726 /nfs/dbraw/zinc/93/67/26/1071936726.db2.gz CWCDINBFXLOUQO-UHFFFAOYSA-N -1 0 675.717 6.732 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C1=O ZINC000409053119 1071941866 /nfs/dbraw/zinc/94/18/66/1071941866.db2.gz KSTWXAWZNDWBLU-YSMPRRRNSA-N -1 0 666.546 6.295 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409287461 1071945299 /nfs/dbraw/zinc/94/52/99/1071945299.db2.gz VNNTZXLFEODDJI-SFHVURJKSA-N -1 0 608.489 6.009 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409297054 1071950463 /nfs/dbraw/zinc/95/04/63/1071950463.db2.gz VRYUXQDDZRSRNV-OAQYLSRUSA-N -1 0 569.658 5.975 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409050241 1071959291 /nfs/dbraw/zinc/95/92/91/1071959291.db2.gz SVBNWWHYQCZGME-UHFFFAOYSA-N -1 0 705.871 8.214 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409296760 1071955774 /nfs/dbraw/zinc/95/57/74/1071955774.db2.gz RIBYUKFQUJMZKM-QGZVFWFLSA-N -1 0 623.460 5.909 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409296534 1071961490 /nfs/dbraw/zinc/96/14/90/1071961490.db2.gz IDHFCTVCGNTBCD-ZDUSSCGKSA-N -1 0 624.797 6.241 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409049364 1071964948 /nfs/dbraw/zinc/96/49/48/1071964948.db2.gz WIJXVJAUBOJBPO-XYOKQWHBSA-N -1 0 540.595 5.096 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409296194 1071964938 /nfs/dbraw/zinc/96/49/38/1071964938.db2.gz HJGGLLGNTDQITI-UHFFFAOYSA-N -1 0 650.688 6.970 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)C2=C1CCCC2=O ZINC000409049163 1071965498 /nfs/dbraw/zinc/96/54/98/1071965498.db2.gz VEURZKBPAZMGPD-UHFFFAOYSA-N -1 0 694.214 7.051 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409296113 1071968568 /nfs/dbraw/zinc/96/85/68/1071968568.db2.gz HDWRIUMKAKHNDU-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409295717 1071971604 /nfs/dbraw/zinc/97/16/04/1071971604.db2.gz RJNHWHMMDIVUQZ-UHFFFAOYSA-N -1 0 652.423 7.013 40 30 KKEBRM Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409295729 1071972063 /nfs/dbraw/zinc/97/20/63/1071972063.db2.gz FVLZVDQQONZSBD-UHFFFAOYSA-N -1 0 585.458 6.034 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000409047834 1071976141 /nfs/dbraw/zinc/97/61/41/1071976141.db2.gz PRRVAZWNFLHOHZ-OQLLNIDSSA-N -1 0 585.046 5.205 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409047822 1071976257 /nfs/dbraw/zinc/97/62/57/1071976257.db2.gz PPIRTRZMXGKAOQ-UHFFFAOYSA-N -1 0 541.688 7.059 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2Br)cc1C(C)C ZINC000409295305 1071980424 /nfs/dbraw/zinc/98/04/24/1071980424.db2.gz DPXBZCYLOBGNFB-UHFFFAOYSA-N -1 0 777.510 8.977 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409295381 1071981506 /nfs/dbraw/zinc/98/15/06/1071981506.db2.gz QRZOULUOBRTBCD-GFCCVEGCSA-N -1 0 629.733 6.005 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409058720 1071986001 /nfs/dbraw/zinc/98/60/01/1071986001.db2.gz VEUINJVHHHOONG-JKYIWLJLSA-N -1 0 578.444 5.840 40 30 KKEBRM CCCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC ZINC000409058669 1071985853 /nfs/dbraw/zinc/98/58/53/1071985853.db2.gz UUKMWRQFQZNQSS-MKMXVRELSA-N -1 0 519.417 5.569 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409295273 1071984711 /nfs/dbraw/zinc/98/47/11/1071984711.db2.gz NYKDUAPXLPUGHF-UHFFFAOYSA-N -1 0 641.080 7.225 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409294883 1071987825 /nfs/dbraw/zinc/98/78/25/1071987825.db2.gz NEEPKTBCGNQPGW-UHFFFAOYSA-N -1 0 626.109 7.325 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409058183 1071988221 /nfs/dbraw/zinc/98/82/21/1071988221.db2.gz SAKCAPZBPFQNFM-UHFFFAOYSA-N -1 0 616.969 7.996 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409057901 1071989605 /nfs/dbraw/zinc/98/96/05/1071989605.db2.gz LREQRSGETRWPHS-PKRHBIPFSA-N -1 0 606.498 6.621 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409057541 1071993173 /nfs/dbraw/zinc/99/31/73/1071993173.db2.gz HFKHGNKCEHSLRG-ASCZMWPCSA-N -1 0 557.853 6.614 40 30 KKEBRM CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409063044 1071996952 /nfs/dbraw/zinc/99/69/52/1071996952.db2.gz GAYJKNGATDQTGW-UHFFFAOYSA-N -1 0 500.035 5.899 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409066347 1071994127 /nfs/dbraw/zinc/99/41/27/1071994127.db2.gz AFTYBXGRBCJNFV-YDZHTSKRSA-N -1 0 561.978 5.539 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409294425 1071994683 /nfs/dbraw/zinc/99/46/83/1071994683.db2.gz AMECFTQCCAKVLN-UHFFFAOYSA-N -1 0 699.423 6.855 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066483 1071995267 /nfs/dbraw/zinc/99/52/67/1071995267.db2.gz AWJFGYYTUKBCRX-UHFFFAOYSA-N -1 0 658.383 7.889 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409065174 1071996410 /nfs/dbraw/zinc/99/64/10/1071996410.db2.gz IAGUZUPOKVVMSL-UHFFFAOYSA-N -1 0 500.035 5.899 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409066748 1072001781 /nfs/dbraw/zinc/00/17/81/1072001781.db2.gz CJCGYXRNJWCXSN-LPYMAVHISA-N -1 0 537.399 5.976 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000409067246 1071997606 /nfs/dbraw/zinc/99/76/06/1071997606.db2.gz ORIHMAGDBDWQIH-UHFFFAOYSA-N -1 0 595.711 7.718 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409067077 1071997612 /nfs/dbraw/zinc/99/76/12/1071997612.db2.gz PAFRCSRVNIERTA-UHFFFAOYSA-N -1 0 607.103 6.988 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409066866 1072000342 /nfs/dbraw/zinc/00/03/42/1072000342.db2.gz CWGZXUFVTVTNEZ-UHFFFAOYSA-N -1 0 596.551 7.733 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065718 1072007704 /nfs/dbraw/zinc/00/77/04/1072007704.db2.gz JAJXBFIXAUDWFJ-UHFFFAOYSA-N -1 0 612.144 6.268 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409307015 1072004770 /nfs/dbraw/zinc/00/47/70/1072004770.db2.gz STUZPMQQIZAGOF-UHFFFAOYSA-N -1 0 624.919 7.028 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2ccccc2Cl)C2=C1CCCC2=O ZINC000409065918 1072005006 /nfs/dbraw/zinc/00/50/06/1072005006.db2.gz JKQPMKIMYKQMFB-UHFFFAOYSA-N -1 0 540.443 6.461 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409065909 1072005089 /nfs/dbraw/zinc/00/50/89/1072005089.db2.gz NZZSGTWOWGDEID-UHFFFAOYSA-N -1 0 661.817 6.660 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409066160 1072005223 /nfs/dbraw/zinc/00/52/23/1072005223.db2.gz KDOCJEKHKSVKEG-BUVRLJJBSA-N -1 0 532.980 5.418 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccccc1 ZINC000409065345 1072009661 /nfs/dbraw/zinc/00/96/61/1072009661.db2.gz KROHOANXEYLPDA-UHFFFAOYSA-N -1 0 541.644 5.891 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064603 1072013286 /nfs/dbraw/zinc/01/32/86/1072013286.db2.gz HWKZNFMDQDIISJ-UHFFFAOYSA-N -1 0 676.615 6.930 40 30 KKEBRM C[C@@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409306230 1072013996 /nfs/dbraw/zinc/01/39/96/1072013996.db2.gz PNXWXGSQBWQQPV-CQSZACIVSA-N -1 0 566.795 5.960 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409064549 1072014616 /nfs/dbraw/zinc/01/46/16/1072014616.db2.gz CVVDBOWZUDJDEB-JQRJDVQMSA-N -1 0 561.874 7.548 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccccc1Cl ZINC000409065179 1072010596 /nfs/dbraw/zinc/01/05/96/1072010596.db2.gz IBEALVDXEXOFTO-UHFFFAOYSA-N -1 0 646.224 8.207 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2cccc(Cl)c2)C2=C1CCCC2=O ZINC000409064379 1072015667 /nfs/dbraw/zinc/01/56/67/1072015667.db2.gz DGFBQBNBCPEVGK-UHFFFAOYSA-N -1 0 584.894 6.570 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409306386 1072012227 /nfs/dbraw/zinc/01/22/27/1072012227.db2.gz QAEVJVBKJVIVAV-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409306392 1072012241 /nfs/dbraw/zinc/01/22/41/1072012241.db2.gz PAYAQUILHMDRFT-UHFFFAOYSA-N -1 0 631.266 6.623 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409064742 1072012361 /nfs/dbraw/zinc/01/23/61/1072012361.db2.gz FSOAKMQHLRCXKT-MWAVMZGNSA-N -1 0 638.698 5.827 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409064284 1072017008 /nfs/dbraw/zinc/01/70/08/1072017008.db2.gz CMFXUDDBAXZSNF-UHFFFAOYSA-N -1 0 604.508 5.958 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409064081 1072017484 /nfs/dbraw/zinc/01/74/84/1072017484.db2.gz BNFFAPOGRACBGR-UHFFFAOYSA-N -1 0 708.241 7.441 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409064075 1072017552 /nfs/dbraw/zinc/01/75/52/1072017552.db2.gz BLJXHUNEUCHSTR-ZVHZXABRSA-N -1 0 565.453 6.674 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000409064146 1072017989 /nfs/dbraw/zinc/01/79/89/1072017989.db2.gz BUEIOJLPDVKQQY-UHFFFAOYSA-N -1 0 654.573 7.336 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409064123 1072018044 /nfs/dbraw/zinc/01/80/44/1072018044.db2.gz BSXCPWDFLPUMLZ-AJBULDERSA-N -1 0 667.556 7.401 40 30 KKEBRM CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409063609 1072019906 /nfs/dbraw/zinc/01/99/06/1072019906.db2.gz CWALWNUCLAXUNK-UHFFFAOYSA-N -1 0 540.443 6.704 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409063639 1072020160 /nfs/dbraw/zinc/02/01/60/1072020160.db2.gz DCOFUKSROHWJJY-HZHRSRAPSA-N -1 0 581.046 5.210 40 30 KKEBRM Cc1ccc(NC(=O)c2c(/N=C/c3cc(Br)cc(I)c3[O-])sc3c2CCCC3)cc1 ZINC000409062298 1072024706 /nfs/dbraw/zinc/02/47/06/1072024706.db2.gz RJYSHCFCCAPDBS-RPPGKUMJSA-N -1 0 595.300 7.011 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409305618 1072024797 /nfs/dbraw/zinc/02/47/97/1072024797.db2.gz WFLGBQGKASNPEF-UHFFFAOYSA-N -1 0 644.276 6.113 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304974 1072031499 /nfs/dbraw/zinc/03/14/99/1072031499.db2.gz MKADKGDKSZCQRD-UHFFFAOYSA-N -1 0 677.777 7.040 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409060868 1072031888 /nfs/dbraw/zinc/03/18/88/1072031888.db2.gz WTZRHDYILHTGTJ-WCQUZOIFSA-N -1 0 571.880 7.004 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c3)cc21 ZINC000409305021 1072031969 /nfs/dbraw/zinc/03/19/69/1072031969.db2.gz LJNOKOGRIYMYQH-HNNXBMFYSA-N -1 0 547.951 5.214 40 30 KKEBRM CCCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC ZINC000409060695 1072032757 /nfs/dbraw/zinc/03/27/57/1072032757.db2.gz TUNQUIQEZHJPDC-GQKMNLJRSA-N -1 0 533.444 5.959 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304182 1072040626 /nfs/dbraw/zinc/04/06/26/1072040626.db2.gz JGDMRYSRFAXYPP-UHFFFAOYSA-N -1 0 652.423 7.013 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1OCC(=O)[O-] ZINC000409304509 1072036955 /nfs/dbraw/zinc/03/69/55/1072036955.db2.gz RRNUZRIJFBENQQ-UHFFFAOYSA-N -1 0 593.272 5.323 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C(C)C ZINC000409304513 1072037052 /nfs/dbraw/zinc/03/70/52/1072037052.db2.gz LIOHWPSYCHZCQW-UHFFFAOYSA-N -1 0 689.006 8.469 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409059679 1072038373 /nfs/dbraw/zinc/03/83/73/1072038373.db2.gz WRHUGNCRBSOGTN-UHFFFAOYSA-N -1 0 544.406 6.210 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OC(C)C ZINC000409059641 1072038384 /nfs/dbraw/zinc/03/83/84/1072038384.db2.gz RPHFZMXRGVOZRK-NVHABHRXSA-N -1 0 566.417 5.409 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409074418 1072040435 /nfs/dbraw/zinc/04/04/35/1072040435.db2.gz ZIXAVOSRLPHEHZ-UHFFFAOYSA-N -1 0 630.996 8.386 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077174 1072041352 /nfs/dbraw/zinc/04/13/52/1072041352.db2.gz DGNDEABOFJBERA-UHFFFAOYSA-N -1 0 679.442 7.065 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1I ZINC000409303895 1072044450 /nfs/dbraw/zinc/04/44/50/1072044450.db2.gz ILJRBIDBOBDDMR-UHFFFAOYSA-N -1 0 593.299 5.033 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)cc2Br)cc1C(C)C ZINC000409303868 1072048744 /nfs/dbraw/zinc/04/87/44/1072048744.db2.gz IHNLFXFEPKQJDE-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000409303441 1072055066 /nfs/dbraw/zinc/05/50/66/1072055066.db2.gz HKBCTZBJDCXEFT-UHFFFAOYSA-N -1 0 622.943 6.803 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409075999 1072054670 /nfs/dbraw/zinc/05/46/70/1072054670.db2.gz WERKGHDLQGQAJS-UHFFFAOYSA-N -1 0 614.541 7.872 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075751 1072057331 /nfs/dbraw/zinc/05/73/31/1072057331.db2.gz XNTFDGHJHRABOJ-UHFFFAOYSA-N -1 0 634.534 6.048 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409075803 1072058121 /nfs/dbraw/zinc/05/81/21/1072058121.db2.gz YEICPUMMOWVPJO-UHFFFAOYSA-N -1 0 614.541 7.872 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409075614 1072059012 /nfs/dbraw/zinc/05/90/12/1072059012.db2.gz ZEKSREMTDRYSMO-LPYMAVHISA-N -1 0 569.416 6.505 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000409075592 1072059108 /nfs/dbraw/zinc/05/91/08/1072059108.db2.gz SCRYKYNTPNTKFD-UHFFFAOYSA-N -1 0 624.547 7.328 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075185 1072062789 /nfs/dbraw/zinc/06/27/89/1072062789.db2.gz PLLZPEYRUKHGLP-UHFFFAOYSA-N -1 0 627.778 7.033 40 30 KKEBRM C#CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409075154 1072062855 /nfs/dbraw/zinc/06/28/55/1072062855.db2.gz PBDYNSDYJJFJJK-UHFFFAOYSA-N -1 0 577.269 5.112 40 30 KKEBRM C#CCOc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409075481 1072060529 /nfs/dbraw/zinc/06/05/29/1072060529.db2.gz WBWMVROJKBOLJQ-UHFFFAOYSA-N -1 0 577.269 5.112 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1cccc(F)c1 ZINC000409075266 1072061251 /nfs/dbraw/zinc/06/12/51/1072061251.db2.gz QHKTUQYHTIFUTN-UHFFFAOYSA-N -1 0 659.492 6.296 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409302767 1072061771 /nfs/dbraw/zinc/06/17/71/1072061771.db2.gz KBYASFTUOPOHIL-AWEZNQCLSA-N -1 0 654.299 5.554 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409074994 1072063401 /nfs/dbraw/zinc/06/34/01/1072063401.db2.gz WGAXIYDMKTUITB-UHFFFAOYSA-N -1 0 560.087 5.534 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409075060 1072063849 /nfs/dbraw/zinc/06/38/49/1072063849.db2.gz STFJSMWUQBFFIH-OEAKJJBVSA-N -1 0 551.426 6.366 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409074849 1072065034 /nfs/dbraw/zinc/06/50/34/1072065034.db2.gz SOJXNNDQAPEMFX-UHFFFAOYSA-N -1 0 606.557 7.188 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409074901 1072065553 /nfs/dbraw/zinc/06/55/53/1072065553.db2.gz NXEUYHHPUAVVDM-TURZUDJPSA-N -1 0 532.596 6.212 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2ccccc2)C2=C1CCCC2=O ZINC000409074338 1072069172 /nfs/dbraw/zinc/06/91/72/1072069172.db2.gz ZFAFILFHNTYDNG-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409074749 1072066797 /nfs/dbraw/zinc/06/67/97/1072066797.db2.gz RFMFYYKFEQWTMN-UHFFFAOYSA-N -1 0 600.111 7.359 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409302360 1072067351 /nfs/dbraw/zinc/06/73/51/1072067351.db2.gz IJQHVHXXSRGRFU-UHFFFAOYSA-N -1 0 624.919 7.028 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)[O-] ZINC000409074644 1072067704 /nfs/dbraw/zinc/06/77/04/1072067704.db2.gz UIRJNWPUASEMFQ-UHFFFAOYSA-N -1 0 594.442 5.554 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409074635 1072067763 /nfs/dbraw/zinc/06/77/63/1072067763.db2.gz UGXKRKBQCWPZGK-UHFFFAOYSA-N -1 0 530.617 6.373 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1cccc(F)c1 ZINC000409074638 1072067771 /nfs/dbraw/zinc/06/77/71/1072067771.db2.gz UGZBLJHUIXVYOY-UHFFFAOYSA-N -1 0 668.600 7.726 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C2=C1CCCC2=O ZINC000409074239 1072068287 /nfs/dbraw/zinc/06/82/87/1072068287.db2.gz SPAXXKBCHMMKJY-UHFFFAOYSA-N -1 0 574.888 7.114 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409073307 1072076517 /nfs/dbraw/zinc/07/65/17/1072076517.db2.gz MBPXQBVEXWHPBG-UHFFFAOYSA-N -1 0 576.089 6.544 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccccc1F ZINC000409073941 1072070483 /nfs/dbraw/zinc/07/04/83/1072070483.db2.gz OGIZORVJIIYRKK-UHFFFAOYSA-N -1 0 615.742 7.302 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409302039 1072070902 /nfs/dbraw/zinc/07/09/02/1072070902.db2.gz HBXOSMOZMMMISA-UHFFFAOYSA-N -1 0 717.842 8.181 40 30 KKEBRM C=CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409073827 1072071636 /nfs/dbraw/zinc/07/16/36/1072071636.db2.gz NPFUDYLNUBAZFN-UHFFFAOYSA-N -1 0 512.046 6.065 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409073902 1072072097 /nfs/dbraw/zinc/07/20/97/1072072097.db2.gz UKXOYIBDQDFXIA-GFDYYOTESA-N -1 0 592.471 6.230 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409073512 1072073906 /nfs/dbraw/zinc/07/39/06/1072073906.db2.gz PZWGIITXTPTLMP-UHFFFAOYSA-N -1 0 587.713 6.304 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)C2=C1CC(C)(C)CC2=O ZINC000409073475 1072076084 /nfs/dbraw/zinc/07/60/84/1072076084.db2.gz PTHOHTOCRHEKSJ-UHFFFAOYSA-N -1 0 588.539 6.407 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409073213 1072076166 /nfs/dbraw/zinc/07/61/66/1072076166.db2.gz VLDJHEIVGUSMIN-UHFFFAOYSA-N -1 0 710.392 7.464 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409073233 1072076194 /nfs/dbraw/zinc/07/61/94/1072076194.db2.gz GGSRFOMEROVLTI-UHFFFAOYSA-N -1 0 579.285 5.665 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409073234 1072076204 /nfs/dbraw/zinc/07/62/04/1072076204.db2.gz GGTYQKMLYRGZKS-UHFFFAOYSA-N -1 0 614.920 6.578 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2ccc(Br)cc2)C2=C1CCCC2=O ZINC000409073294 1072076494 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COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409298718 1072115702 /nfs/dbraw/zinc/11/57/02/1072115702.db2.gz OAKMPJJDOQSSRJ-UHFFFAOYSA-N -1 0 685.531 7.334 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409298354 1072119067 /nfs/dbraw/zinc/11/90/67/1072119067.db2.gz WLIKCPVLVUZELZ-UHFFFAOYSA-N -1 0 736.255 7.540 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(C)C ZINC000409298398 1072119551 /nfs/dbraw/zinc/11/95/51/1072119551.db2.gz ZGWAMVLCYBVJPD-UHFFFAOYSA-N -1 0 519.985 5.503 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)cc1C(C)C ZINC000409298425 1072119805 /nfs/dbraw/zinc/11/98/05/1072119805.db2.gz NBGVPJNDVKFPHS-UHFFFAOYSA-N -1 0 556.018 6.998 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409080232 1072124120 /nfs/dbraw/zinc/12/41/20/1072124120.db2.gz MGMSBUBKEQJJSE-RXXZHPLBSA-N -1 0 525.070 7.019 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079903 1072130360 /nfs/dbraw/zinc/13/03/60/1072130360.db2.gz CDHLIKDRHLGTFQ-UDWIEESQSA-N -1 0 646.372 6.572 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409297929 1072125040 /nfs/dbraw/zinc/12/50/40/1072125040.db2.gz MZJDSOOPCUGNDB-UHFFFAOYSA-N -1 0 580.435 5.459 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000409079932 1072126947 /nfs/dbraw/zinc/12/69/47/1072126947.db2.gz CKKNSSFXJLOSBS-XAZPMCQJSA-N -1 0 597.520 7.619 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409297745 1072130789 /nfs/dbraw/zinc/13/07/89/1072130789.db2.gz KZVGNFVJHPUHSX-UHFFFAOYSA-N -1 0 638.474 7.130 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409297898 1072128886 /nfs/dbraw/zinc/12/88/86/1072128886.db2.gz MWPAYWQBZODQFH-UHFFFAOYSA-N -1 0 663.750 6.866 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)c([O-])c(I)c3)sc2C1 ZINC000409079892 1072129816 /nfs/dbraw/zinc/12/98/16/1072129816.db2.gz CBWXUNXBWCYVRD-LYORIEDSSA-N -1 0 543.268 6.594 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079542 1072132694 /nfs/dbraw/zinc/13/26/94/1072132694.db2.gz GNRONRJKULEABI-UHFFFAOYSA-N -1 0 682.692 7.913 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc([N+](=O)[O-])ccc3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409297417 1072134493 /nfs/dbraw/zinc/13/44/93/1072134493.db2.gz LAOUXMJMAFWHHZ-UHFFFAOYSA-N -1 0 590.548 5.886 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409315398 1072136377 /nfs/dbraw/zinc/13/63/77/1072136377.db2.gz JFKPKUUYZXOFPL-UHFFFAOYSA-N -1 0 564.436 5.670 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409314908 1072139702 /nfs/dbraw/zinc/13/97/02/1072139702.db2.gz TUIXCKHETIBRBR-NWDGAFQWSA-N -1 0 630.131 5.932 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409315064 1072138404 /nfs/dbraw/zinc/13/84/04/1072138404.db2.gz MXWPFQRGTWEZHR-INIZCTEOSA-N -1 0 643.332 6.603 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409078661 1072142468 /nfs/dbraw/zinc/14/24/68/1072142468.db2.gz IXEHJZBGHBZLQT-KTBDRLKFSA-N -1 0 590.927 7.932 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409078664 1072142528 /nfs/dbraw/zinc/14/25/28/1072142528.db2.gz IXEHJZBGHBZLQT-SHCJNDJLSA-N -1 0 590.927 7.932 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000409314349 1072144989 /nfs/dbraw/zinc/14/49/89/1072144989.db2.gz FVARARQGHWSVED-UHFFFAOYSA-N -1 0 514.763 5.605 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409314173 1072145838 /nfs/dbraw/zinc/14/58/38/1072145838.db2.gz RSPMQYKXPOMLLC-MRXNPFEDSA-N -1 0 609.433 5.749 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c2C(=O)NCc2ccco2)C1 ZINC000409077695 1072153684 /nfs/dbraw/zinc/15/36/84/1072153684.db2.gz GMIWCYJLQVOSFA-DLDHWCNJSA-N -1 0 530.646 7.131 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409312736 1072158602 /nfs/dbraw/zinc/15/86/02/1072158602.db2.gz MCURKSTZKCPFRB-GOSISDBHSA-N -1 0 557.448 6.256 40 30 KKEBRM O=C([O-])c1ccc(COc2cccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)c2)cc1 ZINC000409312773 1072159044 /nfs/dbraw/zinc/15/90/44/1072159044.db2.gz NMBSEHPVCCCLIL-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM C=CCc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409313066 1072155799 /nfs/dbraw/zinc/15/57/99/1072155799.db2.gz BEECLKOOQDMZAQ-DHZHZOJOSA-N -1 0 528.359 5.435 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409312675 1072157681 /nfs/dbraw/zinc/15/76/81/1072157681.db2.gz GGVUMERVCBQLAU-CQSZACIVSA-N -1 0 607.299 5.712 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)sc2C1 ZINC000409086564 1072165329 /nfs/dbraw/zinc/16/53/29/1072165329.db2.gz QYIMKKLBHHHDQB-RPCHLKFKSA-N -1 0 509.369 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409312003 1072166128 /nfs/dbraw/zinc/16/61/28/1072166128.db2.gz JAQNHBZSZDQWCL-SNVBAGLBSA-N -1 0 513.617 5.676 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086234 1072168046 /nfs/dbraw/zinc/16/80/46/1072168046.db2.gz YSOKPDSOROUNGF-LDADJPATSA-N -1 0 601.921 6.463 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409311022 1072177982 /nfs/dbraw/zinc/17/79/82/1072177982.db2.gz DEKMIKRIJBALAZ-KRWDZBQOSA-N -1 0 534.410 5.832 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085532 1072176549 /nfs/dbraw/zinc/17/65/49/1072176549.db2.gz ZSWZRZHKLDREOY-UHFFFAOYSA-N -1 0 586.519 5.913 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409311519 1072170526 /nfs/dbraw/zinc/17/05/26/1072170526.db2.gz GSRULUTYLRNCAT-MRXNPFEDSA-N -1 0 579.407 5.740 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000409085256 1072180446 /nfs/dbraw/zinc/18/04/46/1072180446.db2.gz ZCXAPCFYBZSJQW-ZXDCPGEQSA-N -1 0 569.082 7.290 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409310531 1072181770 /nfs/dbraw/zinc/18/17/70/1072181770.db2.gz VNJRKMUJYHGHQT-UHFFFAOYSA-N -1 0 599.825 5.833 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409085156 1072182633 /nfs/dbraw/zinc/18/26/33/1072182633.db2.gz WPWWAGNIDULRLT-IBSCZOEOSA-N -1 0 650.378 8.043 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409310031 1072185375 /nfs/dbraw/zinc/18/53/75/1072185375.db2.gz PJZDXPIIMTYZGZ-UHFFFAOYSA-N -1 0 561.480 6.503 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409310129 1072186398 /nfs/dbraw/zinc/18/63/98/1072186398.db2.gz QUHRMHPQFNDMJK-HNNXBMFYSA-N -1 0 621.326 6.102 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409084705 1072187019 /nfs/dbraw/zinc/18/70/19/1072187019.db2.gz MSVTWSMFTQJEIY-UHFFFAOYSA-N -1 0 747.393 7.591 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)NCc1ccco1)CC[C@H](C(C)(C)C)C2 ZINC000409084388 1072190822 /nfs/dbraw/zinc/19/08/22/1072190822.db2.gz XWGVLLLMXTYBEM-SQDHZODUSA-N -1 0 516.667 6.163 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)[O-] ZINC000409308728 1072200025 /nfs/dbraw/zinc/20/00/25/1072200025.db2.gz ZXWXLTYRUMTRLS-UHFFFAOYSA-N -1 0 517.925 5.207 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c([N+](=O)[O-])c3)c2C(=O)Nc2ccccc2)C1 ZINC000409083849 1072197674 /nfs/dbraw/zinc/19/76/74/1072197674.db2.gz ORUZKVSAXNQTBR-IPFQNQMQSA-N -1 0 556.482 7.278 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000409308954 1072199043 /nfs/dbraw/zinc/19/90/43/1072199043.db2.gz ZOEZVHKTNZUBND-UHFFFAOYSA-N -1 0 622.397 7.004 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409083698 1072199168 /nfs/dbraw/zinc/19/91/68/1072199168.db2.gz UHFKKNSJBHRBMN-LWSYCEGVSA-N -1 0 712.449 9.467 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083191 1072203018 /nfs/dbraw/zinc/20/30/18/1072203018.db2.gz NSGKDJRMHYPYGQ-KGENOOAVSA-N -1 0 558.503 5.089 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409308684 1072203815 /nfs/dbraw/zinc/20/38/15/1072203815.db2.gz YISOFOMWIKPDKN-UHFFFAOYSA-N -1 0 589.273 6.749 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Cl ZINC000409308683 1072203859 /nfs/dbraw/zinc/20/38/59/1072203859.db2.gz ZRNJHAMRMGJBSJ-UHFFFAOYSA-N -1 0 587.213 6.225 40 30 KKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c1[O-] ZINC000409082746 1072207673 /nfs/dbraw/zinc/20/76/73/1072207673.db2.gz QXGZCIAOTXYDFY-PYWPZVNCSA-N -1 0 507.612 6.524 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409308127 1072208709 /nfs/dbraw/zinc/20/87/09/1072208709.db2.gz WHMRHBHZMQMOGU-UHFFFAOYSA-N -1 0 502.530 5.798 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409307776 1072217357 /nfs/dbraw/zinc/21/73/57/1072217357.db2.gz WIWMLABRRIDGDH-NSHDSACASA-N -1 0 601.679 5.441 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409081150 1072225481 /nfs/dbraw/zinc/22/54/81/1072225481.db2.gz OXGSUQUEXUVJEB-SYCUJBBPSA-N -1 0 523.010 5.485 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000409316348 1072231732 /nfs/dbraw/zinc/23/17/32/1072231732.db2.gz XJOOBLNJDIIEIB-MRXNPFEDSA-N -1 0 643.332 6.603 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000409316265 1072233836 /nfs/dbraw/zinc/23/38/36/1072233836.db2.gz POZGUGOSWDGFEH-UHFFFAOYSA-N -1 0 639.890 6.928 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409095937 1072237241 /nfs/dbraw/zinc/23/72/41/1072237241.db2.gz JBNVRCRCMVVEKT-MFKUBSTISA-N -1 0 566.100 7.150 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409316309 1072231311 /nfs/dbraw/zinc/23/13/11/1072231311.db2.gz XGOIPPGCYJAGQO-JTQLQIEISA-N -1 0 513.617 5.676 40 30 KKEBRM C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000409094840 1072242983 /nfs/dbraw/zinc/24/29/83/1072242983.db2.gz GJXJHWFKZKXFBR-XSFVSMFZSA-N -1 0 510.377 5.632 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409324655 1072262954 /nfs/dbraw/zinc/26/29/54/1072262954.db2.gz UHFXZHJPAUEPQY-UHFFFAOYSA-N -1 0 633.724 6.687 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409092456 1072263191 /nfs/dbraw/zinc/26/31/91/1072263191.db2.gz YMVCXZKDOGIACB-DHRITJCHSA-N -1 0 600.545 7.804 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092232 1072263543 /nfs/dbraw/zinc/26/35/43/1072263543.db2.gz UFGNPYHFUOZQDY-UHFFFAOYSA-N -1 0 784.420 9.091 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091839 1072268357 /nfs/dbraw/zinc/26/83/57/1072268357.db2.gz SITYBVFSIMZZBG-CIAFOILYSA-N -1 0 629.975 7.161 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409323737 1072273269 /nfs/dbraw/zinc/27/32/69/1072273269.db2.gz PMBSPGZBKLDACO-DLBZAZTESA-N -1 0 556.457 5.534 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409323739 1072273698 /nfs/dbraw/zinc/27/36/98/1072273698.db2.gz PMBSPGZBKLDACO-IAGOWNOFSA-N -1 0 556.457 5.534 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409323489 1072274168 /nfs/dbraw/zinc/27/41/68/1072274168.db2.gz PFBKTQNNXSXGBQ-UHFFFAOYSA-N -1 0 584.106 6.320 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC000409323964 1072270006 /nfs/dbraw/zinc/27/00/06/1072270006.db2.gz QLKUTQKQJHOQPS-OLZOCXBDSA-N -1 0 598.235 5.011 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409324016 1072270434 /nfs/dbraw/zinc/27/04/34/1072270434.db2.gz QOUMJJZHJKUFRZ-UHFFFAOYSA-N -1 0 609.433 5.578 40 30 KKEBRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)o2)cc1 ZINC000409323599 1072272291 /nfs/dbraw/zinc/27/22/91/1072272291.db2.gz OOBPFDXWRFRKAN-UHFFFAOYSA-N -1 0 597.491 5.174 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409322881 1072278478 /nfs/dbraw/zinc/27/84/78/1072278478.db2.gz LNIOJEMJPGDWTO-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@H](C)C(=O)[O-])c2ccccc12 ZINC000409322969 1072279501 /nfs/dbraw/zinc/27/95/01/1072279501.db2.gz MAEYZYQXRJAUKI-GOEBONIOSA-N -1 0 509.404 5.463 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000409321657 1072290808 /nfs/dbraw/zinc/29/08/08/1072290808.db2.gz IYUSHEIGYYBVSU-NWDGAFQWSA-N -1 0 541.229 5.713 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409089143 1072291352 /nfs/dbraw/zinc/29/13/52/1072291352.db2.gz HJOHEMMJNXOGMC-UHFFFAOYSA-N -1 0 784.420 9.091 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC000409321321 1072292646 /nfs/dbraw/zinc/29/26/46/1072292646.db2.gz FOIDHCCYPZSNMG-UHFFFAOYSA-N -1 0 616.104 5.372 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)cc(Br)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409088999 1072292731 /nfs/dbraw/zinc/29/27/31/1072292731.db2.gz GVXMHSDOUIJRKH-BNWUJJENSA-N -1 0 624.826 8.786 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC000409321126 1072293480 /nfs/dbraw/zinc/29/34/80/1072293480.db2.gz GRDSTOYNDWYBBQ-LBPRGKRZSA-N -1 0 660.157 5.769 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000409321120 1072293628 /nfs/dbraw/zinc/29/36/28/1072293628.db2.gz RRTZXIJKXAXPAR-UHFFFAOYSA-N -1 0 514.763 5.605 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409088125 1072300532 /nfs/dbraw/zinc/30/05/32/1072300532.db2.gz DINROPZILPPELC-UHFFFAOYSA-N -1 0 612.389 5.556 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409319408 1072310521 /nfs/dbraw/zinc/31/05/21/1072310521.db2.gz FQNXMDKWGNTXFH-NSHDSACASA-N -1 0 571.653 5.262 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409319718 1072307868 /nfs/dbraw/zinc/30/78/68/1072307868.db2.gz KVXMSIHVJKZMGC-UHFFFAOYSA-N -1 0 678.175 6.796 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087385 1072308075 /nfs/dbraw/zinc/30/80/75/1072308075.db2.gz YOQLENGEPQDKBC-UHFFFAOYSA-N -1 0 712.550 7.227 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC000409319774 1072308593 /nfs/dbraw/zinc/30/85/93/1072308593.db2.gz LQBAPKTVSNUDOB-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409101410 1072314409 /nfs/dbraw/zinc/31/44/09/1072314409.db2.gz YEFUFHCFGWTJQZ-KGENOOAVSA-N -1 0 518.056 5.722 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409318862 1072316201 /nfs/dbraw/zinc/31/62/01/1072316201.db2.gz YGIYNKOTOZFIHT-UHFFFAOYSA-N -1 0 609.433 5.578 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409317688 1072326241 /nfs/dbraw/zinc/32/62/41/1072326241.db2.gz RTSYVRSSYDSTRX-HOTGVXAUSA-N -1 0 522.399 5.560 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409317686 1072326262 /nfs/dbraw/zinc/32/62/62/1072326262.db2.gz RTSYVRSSYDSTRX-CVEARBPZSA-N -1 0 522.399 5.560 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC000409336695 1072329430 /nfs/dbraw/zinc/32/94/30/1072329430.db2.gz UDGWJVCCLHUZKG-HNNXBMFYSA-N -1 0 677.777 7.256 40 30 KKEBRM Cc1ccccc1Oc1ccc(/N=C/c2cc(Br)cc(I)c2[O-])cc1 ZINC000409098672 1072329942 /nfs/dbraw/zinc/32/99/42/1072329942.db2.gz JGHZNOQSXMGHNK-FSJBWODESA-N -1 0 508.153 6.611 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(Br)cc1OCc1ccccc1 ZINC000409336568 1072331133 /nfs/dbraw/zinc/33/11/33/1072331133.db2.gz PSLWPMZIUQSHTE-JAEIXQISSA-N -1 0 501.427 5.911 40 30 KKEBRM N=C1SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C([O-])=C1c1nccs1 ZINC000409336228 1072332774 /nfs/dbraw/zinc/33/27/74/1072332774.db2.gz MQBLBJKFPAQPKD-WFKOEOBASA-N -1 0 644.297 6.349 40 30 KKEBRM COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409097961 1072334653 /nfs/dbraw/zinc/33/46/53/1072334653.db2.gz OKQWMJQKKNGCBS-IPBVOBEMSA-N -1 0 568.302 6.108 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409334785 1072344070 /nfs/dbraw/zinc/34/40/70/1072344070.db2.gz MDKGQSQFKFMPJA-PIXWUVMMSA-N -1 0 629.488 5.805 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1 ZINC000409333829 1072349875 /nfs/dbraw/zinc/34/98/75/1072349875.db2.gz JSDXLBHASMMCRF-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=N)s1 ZINC000409333805 1072352078 /nfs/dbraw/zinc/35/20/78/1072352078.db2.gz CZAUVVBUAAFBDX-VYSGPABOSA-N -1 0 530.469 5.868 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N\c1ccccc1I ZINC000409102282 1072366440 /nfs/dbraw/zinc/36/64/40/1072366440.db2.gz YMAKHEOXDIQQIU-IDUWFGFVSA-N -1 0 527.925 5.115 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409330964 1072373270 /nfs/dbraw/zinc/37/32/70/1072373270.db2.gz CXMUJATXTRRPIH-UHFFFAOYSA-N -1 0 647.751 7.077 40 30 KKEBRM CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409108994 1072401974 /nfs/dbraw/zinc/40/19/74/1072401974.db2.gz ZIOLSAKXSIAFLJ-XKJRVUDJSA-N -1 0 582.329 6.498 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409337034 1072404027 /nfs/dbraw/zinc/40/40/27/1072404027.db2.gz VXBGCGIIXCMKRZ-MRXNPFEDSA-N -1 0 690.332 6.445 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)SC2=N)s1 ZINC000409336962 1072406445 /nfs/dbraw/zinc/40/64/45/1072406445.db2.gz ROLXRRWMXGWJPM-ZZOVDFBMSA-N -1 0 579.339 6.622 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409131214 1072510549 /nfs/dbraw/zinc/51/05/49/1072510549.db2.gz NOTHXMAIMZGVPJ-STBIYBPSSA-N -1 0 560.679 5.993 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409147049 1072578370 /nfs/dbraw/zinc/57/83/70/1072578370.db2.gz UXMMKRCWHKQDQI-PCLIKHOPSA-N -1 0 655.125 5.304 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409364380 1072584500 /nfs/dbraw/zinc/58/45/00/1072584500.db2.gz XPPUYUMDJLAMBX-HAHDFKILSA-N -1 0 571.145 6.654 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3C#N)C(=O)[N-]C2=S)cc1 ZINC000409375638 1072631668 /nfs/dbraw/zinc/63/16/68/1072631668.db2.gz NJKASDFBHGCQIL-OEAKJJBVSA-N -1 0 546.446 5.293 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409378966 1072672044 /nfs/dbraw/zinc/67/20/44/1072672044.db2.gz SYDBBXZGXVRLRO-UQQQWYQISA-N -1 0 564.660 5.140 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000409386404 1072686646 /nfs/dbraw/zinc/68/66/46/1072686646.db2.gz SZKWFKOLRZQXDY-SBZDMIGCSA-N -1 0 563.632 5.026 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409385272 1072694003 /nfs/dbraw/zinc/69/40/03/1072694003.db2.gz IWDGHHQZIRRAKK-MFKUBSTISA-N -1 0 577.611 5.707 40 30 KKEBRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1 ZINC000409382185 1072707984 /nfs/dbraw/zinc/70/79/84/1072707984.db2.gz LXDSATIBNQTWAA-WOJBJXKFSA-N -1 0 587.400 5.338 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409175211 1072718352 /nfs/dbraw/zinc/71/83/52/1072718352.db2.gz XSAVBXIZXTVXME-FSJBWODESA-N -1 0 579.428 5.843 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(Cc4cccnc4)C3=O)o2)ccc1Cl ZINC000409174570 1072721330 /nfs/dbraw/zinc/72/13/30/1072721330.db2.gz NRXRNEIRSVRWRC-CIZQCOJFSA-N -1 0 515.978 6.497 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000409174398 1072721775 /nfs/dbraw/zinc/72/17/75/1072721775.db2.gz RYCUJRLEFZUMSN-FSJBWODESA-N -1 0 504.951 5.725 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409173081 1072728951 /nfs/dbraw/zinc/72/89/51/1072728951.db2.gz IXGBWQKCXYXFNR-FSJBWODESA-N -1 0 549.402 5.834 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1C#N ZINC000409399452 1072749613 /nfs/dbraw/zinc/74/96/13/1072749613.db2.gz ISJBIEUYMLRXCZ-NDENLUEZSA-N -1 0 552.812 5.413 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409168716 1072753400 /nfs/dbraw/zinc/75/34/00/1072753400.db2.gz RUTGPGLSCCWFED-FSJBWODESA-N -1 0 579.428 5.843 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409406643 1072758004 /nfs/dbraw/zinc/75/80/04/1072758004.db2.gz YAEJTIMWFDRAKJ-UHFFFAOYSA-N -1 0 525.564 6.376 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186527 1072761613 /nfs/dbraw/zinc/76/16/13/1072761613.db2.gz DGSSZGJFZUJDME-ROTLSHHCSA-N -1 0 503.190 6.548 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403919 1072768160 /nfs/dbraw/zinc/76/81/60/1072768160.db2.gz NOHKNWIWIFYRGV-UHFFFAOYSA-N -1 0 545.595 5.960 40 30 KKEBRM COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409183394 1072784410 /nfs/dbraw/zinc/78/44/10/1072784410.db2.gz BTNOUVASNPVCLC-OFMHMLEBSA-N -1 0 542.657 6.909 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409407601 1072820340 /nfs/dbraw/zinc/82/03/40/1072820340.db2.gz UVMBPMNESAMEIV-OAHLLOKOSA-N -1 0 615.278 5.721 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409194161 1072845511 /nfs/dbraw/zinc/84/55/11/1072845511.db2.gz OMJZICYPGIRMPO-OVVQPSECSA-N -1 0 616.686 6.381 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCC ZINC000409193777 1072848725 /nfs/dbraw/zinc/84/87/25/1072848725.db2.gz LPNITMBYVMXDFK-XQNSMLJCSA-N -1 0 536.625 5.062 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O ZINC000409192976 1072852494 /nfs/dbraw/zinc/85/24/94/1072852494.db2.gz GVADJJFHROXQSU-CPNJWEJPSA-N -1 0 622.310 5.626 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409189218 1072878187 /nfs/dbraw/zinc/87/81/87/1072878187.db2.gz MYNNTKCVJCAZKF-WPWMEQJKSA-N -1 0 602.659 5.991 40 30 KKEBRM C=CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409189123 1072879366 /nfs/dbraw/zinc/87/93/66/1072879366.db2.gz IVGQPODWLGZLJJ-JJIBRWJFSA-N -1 0 548.636 5.228 40 30 KKEBRM COc1ccc(/N=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000409199844 1072924392 /nfs/dbraw/zinc/92/43/92/1072924392.db2.gz FFRNWHBBGGHOMJ-DHRITJCHSA-N -1 0 517.319 5.336 40 30 KKEBRM Cc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1[C@@H](C)C(=O)[O-] ZINC001531109945 1072932143 /nfs/dbraw/zinc/93/21/43/1072932143.db2.gz MUQNUYJXEKXMQC-CKTUNODQSA-N -1 0 509.404 5.247 40 30 KKEBRM CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409208181 1072939067 /nfs/dbraw/zinc/93/90/67/1072939067.db2.gz BQYULLVCJKUFLW-MZJWZYIUSA-N -1 0 529.374 6.335 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531131367 1072939564 /nfs/dbraw/zinc/93/95/64/1072939564.db2.gz VURDCNLQWKXAPA-AAPHRLRXSA-N -1 0 692.202 7.141 40 30 KKEBRM CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409207828 1072939805 /nfs/dbraw/zinc/93/98/05/1072939805.db2.gz AVEDDKWWHCXJPL-AFUMVMLFSA-N -1 0 501.320 5.718 40 30 KKEBRM Cc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC001531131616 1072940360 /nfs/dbraw/zinc/94/03/60/1072940360.db2.gz ZDVIXBFGIZLTGS-ZMGVVAQMSA-N -1 0 571.475 6.348 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC001531142668 1072943199 /nfs/dbraw/zinc/94/31/99/1072943199.db2.gz MPQOBWYEHABDDG-UGGTXAHQSA-N -1 0 660.157 5.724 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409216509 1072946105 /nfs/dbraw/zinc/94/61/05/1072946105.db2.gz IRXJNYJWZNIHQO-MZJWZYIUSA-N -1 0 529.374 6.335 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000409216103 1072947510 /nfs/dbraw/zinc/94/75/10/1072947510.db2.gz DXUYXHLTUHDPJR-KBKYJPHKSA-N -1 0 537.635 7.201 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531155987 1072947767 /nfs/dbraw/zinc/94/77/67/1072947767.db2.gz SKMWEAGDTWCGLR-VKVKMMGJSA-N -1 0 722.228 7.150 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531157091 1072948959 /nfs/dbraw/zinc/94/89/59/1072948959.db2.gz UPXSQSBLWUWPTF-CPDSRJINSA-N -1 0 613.306 6.378 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c([O-])c(Br)c1 ZINC001531169391 1072951927 /nfs/dbraw/zinc/95/19/27/1072951927.db2.gz GTAZMKFILPZCKW-AQHIEDMUSA-N -1 0 558.068 5.569 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531192419 1072961525 /nfs/dbraw/zinc/96/15/25/1072961525.db2.gz YAVXEZYMKIYOJI-AAPHRLRXSA-N -1 0 786.202 6.825 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409211130 1072963669 /nfs/dbraw/zinc/96/36/69/1072963669.db2.gz MWVGKCHOCHGVSH-GPEAYZEASA-N -1 0 522.667 6.180 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531201961 1072964646 /nfs/dbraw/zinc/96/46/46/1072964646.db2.gz HFNXNIWOCPXUSY-VTNSRFBWSA-N -1 0 590.474 6.008 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409210252 1072966226 /nfs/dbraw/zinc/96/62/26/1072966226.db2.gz FSOYRPZIQSKCDD-KZINRLMESA-N -1 0 503.020 5.715 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC001531214950 1072969128 /nfs/dbraw/zinc/96/91/28/1072969128.db2.gz HIIORBMYYKDEEW-FDVSRXAVSA-N -1 0 534.410 5.616 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC001531217732 1072970774 /nfs/dbraw/zinc/97/07/74/1072970774.db2.gz BJXYRGQWSICUHY-AQLQTECXSA-N -1 0 690.332 6.229 40 30 KKEBRM C[C@H](Oc1ccc2ccccc2c1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-] ZINC001531224046 1072973042 /nfs/dbraw/zinc/97/30/42/1072973042.db2.gz QHOJUFDZXHQZTO-FINFLEPTSA-N -1 0 522.399 5.344 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531231351 1072981854 /nfs/dbraw/zinc/98/18/54/1072981854.db2.gz DGEYHBNDTOWHAC-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC001531231517 1072982916 /nfs/dbraw/zinc/98/29/16/1072982916.db2.gz LDDGMOYLAUPSKC-MLZXSMIQSA-N -1 0 581.261 5.178 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)[O-])c(Cl)c1Br ZINC001531231684 1072983350 /nfs/dbraw/zinc/98/33/50/1072983350.db2.gz PTQSEJVEGIGOLK-NSKAYECMSA-N -1 0 601.679 5.272 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531235945 1072989230 /nfs/dbraw/zinc/98/92/30/1072989230.db2.gz JGEBREZXJVGVMI-IBBHUPRXSA-N -1 0 690.332 6.274 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531236432 1072991093 /nfs/dbraw/zinc/99/10/93/1072991093.db2.gz VUQDPIZNMWIFPU-OKCVXOCRSA-N -1 0 564.436 5.670 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409221662 1072998602 /nfs/dbraw/zinc/99/86/02/1072998602.db2.gz UNDCOUUBFKLDDI-JELSIQHMSA-N -1 0 599.478 6.888 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531245151 1073001731 /nfs/dbraw/zinc/00/17/31/1073001731.db2.gz QDQBCBCCWKJBBT-DXRBVMPTSA-N -1 0 534.410 5.832 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409220633 1073004347 /nfs/dbraw/zinc/00/43/47/1073004347.db2.gz CMYJBNPGULSDRG-RGVLZGJSSA-N -1 0 535.094 5.699 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC001531255001 1073009305 /nfs/dbraw/zinc/00/93/05/1073009305.db2.gz SVDGKZGSYMKVKK-MQOBIWFWSA-N -1 0 595.288 5.568 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC001531255709 1073011022 /nfs/dbraw/zinc/01/10/22/1073011022.db2.gz IUWORHICZFONIC-CCVNUDIWSA-N -1 0 521.415 5.408 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531256523 1073013796 /nfs/dbraw/zinc/01/37/96/1073013796.db2.gz IPPKHGFWNQVSGO-GNZFJNCUSA-N -1 0 551.235 5.169 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531263415 1073021133 /nfs/dbraw/zinc/02/11/33/1073021133.db2.gz RSPMQYKXPOMLLC-ZNIRGWDNSA-N -1 0 609.433 5.749 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409229237 1073022530 /nfs/dbraw/zinc/02/25/30/1073022530.db2.gz LXWCXYSGPAOLLQ-CSBWODFHSA-N -1 0 506.555 5.735 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409228511 1073027679 /nfs/dbraw/zinc/02/76/79/1073027679.db2.gz AZHUKZAANKZSIT-DDFGBMTRSA-N -1 0 634.321 7.252 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531268653 1073028350 /nfs/dbraw/zinc/02/83/50/1073028350.db2.gz TUIXCKHETIBRBR-ACLYYTTKSA-N -1 0 630.131 5.932 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531269625 1073032530 /nfs/dbraw/zinc/03/25/30/1073032530.db2.gz AVJIQWZWRONKEC-YTFKJPEKSA-N -1 0 736.255 7.756 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531269801 1073033051 /nfs/dbraw/zinc/03/30/51/1073033051.db2.gz KFGICFADWQJMBL-HWFREFBRSA-N -1 0 657.359 6.993 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c([O-])c(Br)c1 ZINC001531270133 1073034960 /nfs/dbraw/zinc/03/49/60/1073034960.db2.gz XGOIPPGCYJAGQO-SRIQITJBSA-N -1 0 513.617 5.676 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531276280 1073039838 /nfs/dbraw/zinc/03/98/38/1073039838.db2.gz CDHDWBQMMSRUSC-FJEPWZHXSA-N -1 0 580.435 5.288 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409236238 1073039912 /nfs/dbraw/zinc/03/99/12/1073039912.db2.gz FHSIPVLTZJSMNQ-WLZRAQTASA-N -1 0 557.455 6.903 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1O[C@H](C)C(=O)[O-] ZINC001531281976 1073045976 /nfs/dbraw/zinc/04/59/76/1073045976.db2.gz CXZYSGDMBCLZST-MQOBIWFWSA-N -1 0 642.288 5.410 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC001531282270 1073046826 /nfs/dbraw/zinc/04/68/26/1073046826.db2.gz LKGANOKTSQHYTR-SUZBBLJPSA-N -1 0 581.261 5.007 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531283164 1073049049 /nfs/dbraw/zinc/04/90/49/1073049049.db2.gz GPCVSMCCERUQEN-AOAIAPAPSA-N -1 0 786.202 7.041 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531285280 1073053494 /nfs/dbraw/zinc/05/34/94/1073053494.db2.gz ONETYSXMBVEPMU-ZNIRGWDNSA-N -1 0 609.433 5.749 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S1 ZINC000409233483 1073055834 /nfs/dbraw/zinc/05/58/34/1073055834.db2.gz KSINMJWOAOASFJ-SRZZPIQSSA-N -1 0 636.749 7.342 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC001531291352 1073060250 /nfs/dbraw/zinc/06/02/50/1073060250.db2.gz LQHQEBJUBWLPAJ-ABBGQUIISA-N -1 0 571.653 5.434 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531296527 1073065475 /nfs/dbraw/zinc/06/54/75/1073065475.db2.gz AYJBJQOTUOZFOK-JNKHFKFZSA-N -1 0 786.202 7.041 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409230256 1073071467 /nfs/dbraw/zinc/07/14/67/1073071467.db2.gz XUHLIHYHUIULNE-YDZHTSKRSA-N -1 0 648.906 6.821 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])SC2=Nc2ccccc2)cc1 ZINC000409246900 1073073824 /nfs/dbraw/zinc/07/38/24/1073073824.db2.gz KULWNYOISAGSAG-SSKUKVDKSA-N -1 0 518.591 5.360 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC001531303379 1073077750 /nfs/dbraw/zinc/07/77/50/1073077750.db2.gz GRDSTOYNDWYBBQ-DZBQQWFISA-N -1 0 660.157 5.769 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531309812 1073084843 /nfs/dbraw/zinc/08/48/43/1073084843.db2.gz HLKAFTBJAFJSEF-FJEPWZHXSA-N -1 0 660.306 6.266 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC001531309986 1073086188 /nfs/dbraw/zinc/08/61/88/1073086188.db2.gz GXNWMDFZTMKKPS-MLZXSMIQSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC001531310463 1073088156 /nfs/dbraw/zinc/08/81/56/1073088156.db2.gz WMRQKHBETUJOQI-SMZKAPSWSA-N -1 0 627.539 7.239 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001531310453 1073088295 /nfs/dbraw/zinc/08/82/95/1073088295.db2.gz WJOWDGFIGFTFEX-DLDHGHKKSA-N -1 0 527.202 5.152 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531318353 1073094453 /nfs/dbraw/zinc/09/44/53/1073094453.db2.gz KHPJFPPVILOZOJ-CCVNUDIWSA-N -1 0 565.380 5.179 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531319150 1073096400 /nfs/dbraw/zinc/09/64/00/1073096400.db2.gz CODRVNMDKWKLCH-BRQOLZEGSA-N -1 0 579.407 5.740 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001531319427 1073098077 /nfs/dbraw/zinc/09/80/77/1073098077.db2.gz SBUJYNWKLAMQSB-HRXXRIAWSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001531325233 1073099175 /nfs/dbraw/zinc/09/91/75/1073099175.db2.gz AONSGPICYJAVDZ-XMUSQBDYSA-N -1 0 596.232 5.077 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531325273 1073099491 /nfs/dbraw/zinc/09/94/91/1073099491.db2.gz HSPPZPXJOWPXKZ-ZNIRGWDNSA-N -1 0 613.306 6.594 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531325272 1073099660 /nfs/dbraw/zinc/09/96/60/1073099660.db2.gz HSPPZPXJOWPXKZ-WGNGTQIVSA-N -1 0 613.306 6.594 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409241326 1073102177 /nfs/dbraw/zinc/10/21/77/1073102177.db2.gz RFCJAAUYANDHAX-WLZRAQTASA-N -1 0 740.357 6.806 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC001531326625 1073106000 /nfs/dbraw/zinc/10/60/00/1073106000.db2.gz PMBSPGZBKLDACO-IDUSWJSDSA-N -1 0 556.457 5.534 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409240120 1073109908 /nfs/dbraw/zinc/10/99/08/1073109908.db2.gz FPMMXZXAMMNCMG-MJCMWSLQSA-N -1 0 523.380 5.074 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531329103 1073110216 /nfs/dbraw/zinc/11/02/16/1073110216.db2.gz BGWNPGSMKGSUDG-ZNIRGWDNSA-N -1 0 613.306 6.594 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(=O)[O-])ccc2ccccc21 ZINC001531329347 1073112170 /nfs/dbraw/zinc/11/21/70/1073112170.db2.gz RUGXKIFQYSGFKU-OWAQKBPCSA-N -1 0 508.372 5.171 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001531329358 1073112761 /nfs/dbraw/zinc/11/27/61/1073112761.db2.gz SCOOXJYOASXSAA-NSCUCBQXSA-N -1 0 528.790 6.166 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531333418 1073118308 /nfs/dbraw/zinc/11/83/08/1073118308.db2.gz OQGKFTYNOHWAPT-BUMKNRDJSA-N -1 0 643.332 6.603 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC001531333409 1073118323 /nfs/dbraw/zinc/11/83/23/1073118323.db2.gz NKMFAGCBUKUKPF-DESFHTRISA-N -1 0 724.131 5.616 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@H](C)C(=O)[O-] ZINC001531337306 1073122524 /nfs/dbraw/zinc/12/25/24/1073122524.db2.gz WMYPGSDZNGMBAG-ZXWLHBBBSA-N -1 0 506.784 5.060 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC001531340491 1073126885 /nfs/dbraw/zinc/12/68/85/1073126885.db2.gz DADHXGUAXLYWGT-LMWSZNASSA-N -1 0 595.288 5.568 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409250973 1073132233 /nfs/dbraw/zinc/13/22/33/1073132233.db2.gz ZDJCYHJTBZRWIX-YDZHTSKRSA-N -1 0 601.906 6.978 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC001531342920 1073132665 /nfs/dbraw/zinc/13/26/65/1073132665.db2.gz PLKILILEFUZDBU-VTNSRFBWSA-N -1 0 570.443 6.424 40 30 KKEBRM C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409250780 1073132881 /nfs/dbraw/zinc/13/28/81/1073132881.db2.gz YDTUPVASEKLDIT-OEAKJJBVSA-N -1 0 506.027 5.452 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531342960 1073133569 /nfs/dbraw/zinc/13/35/69/1073133569.db2.gz UIJOGKROBIAPGD-ZVYABZQBSA-N -1 0 585.680 5.652 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531347818 1073140605 /nfs/dbraw/zinc/14/06/05/1073140605.db2.gz ZZJRAYNWKNMMDN-RTHFECFVSA-N -1 0 643.332 6.603 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531351056 1073141482 /nfs/dbraw/zinc/14/14/82/1073141482.db2.gz JHQSARWHKKPISE-SZCYMYQJSA-N -1 0 674.184 6.330 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531382678 1073145939 /nfs/dbraw/zinc/14/59/39/1073145939.db2.gz FWKDPZBIONNRNI-VTNSRFBWSA-N -1 0 539.975 5.885 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531383181 1073150588 /nfs/dbraw/zinc/15/05/88/1073150588.db2.gz ZCPZVLIANQAYFJ-VTNSRFBWSA-N -1 0 539.975 5.885 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Cl)cc1 ZINC001531383392 1073151696 /nfs/dbraw/zinc/15/16/96/1073151696.db2.gz IKJFYDYKUZXXDS-KPGMTVGESA-N -1 0 544.394 6.530 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)cc1 ZINC001531383757 1073153787 /nfs/dbraw/zinc/15/37/87/1073153787.db2.gz PGJKVGJDWQPTHF-KBVAKVRCSA-N -1 0 601.400 5.828 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531384416 1073159297 /nfs/dbraw/zinc/15/92/97/1073159297.db2.gz GYSOIZLVECVOAB-MHDJOFBISA-N -1 0 663.322 6.757 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531384650 1073160868 /nfs/dbraw/zinc/16/08/68/1073160868.db2.gz JOFXGCGGPTXTSJ-KVAAJVFYSA-N -1 0 632.898 7.038 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531384673 1073161190 /nfs/dbraw/zinc/16/11/90/1073161190.db2.gz LKBYGJBTGLRTEW-KCSSXMTESA-N -1 0 564.554 5.530 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531384945 1073163442 /nfs/dbraw/zinc/16/34/42/1073163442.db2.gz OTSALYLNYMGSRL-MHDJOFBISA-N -1 0 663.322 6.757 40 30 KKEBRM C[C@H](Oc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I)C(=O)[O-] ZINC001531385162 1073164761 /nfs/dbraw/zinc/16/47/61/1073164761.db2.gz QLCMLULXMMTFMZ-ZKJHFGPLSA-N -1 0 665.225 5.007 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC001531385275 1073165674 /nfs/dbraw/zinc/16/56/74/1073165674.db2.gz UVMBPMNESAMEIV-PUIHGENOSA-N -1 0 615.278 5.721 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409255232 1073168734 /nfs/dbraw/zinc/16/87/34/1073168734.db2.gz YNXRSRGZNCTNOS-OEAKJJBVSA-N -1 0 528.703 5.861 40 30 KKEBRM C=C(C)/C=C/C[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@](C)(CCC(=O)[O-])[C@@H](C(=C)C)CC[C@@]12C ZINC001534688751 1073172858 /nfs/dbraw/zinc/17/28/58/1073172858.db2.gz KISITYOUWLWLNJ-IHUDCZJKSA-N -1 0 618.852 5.388 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409276289 1073291411 /nfs/dbraw/zinc/29/14/11/1073291411.db2.gz PGHWAXBWBVAWSO-UHFFFAOYSA-N -1 0 520.383 5.442 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(O[C@H](C)C(=O)[O-])c2)cc1C(C)C ZINC000409275955 1073294541 /nfs/dbraw/zinc/29/45/41/1073294541.db2.gz NHIWWMLLSLSCBD-HXUWFJFHSA-N -1 0 513.594 5.628 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(OC)c3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409274941 1073304721 /nfs/dbraw/zinc/30/47/21/1073304721.db2.gz GWXUFRZDOCPKGD-UHFFFAOYSA-N -1 0 610.022 6.640 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409274953 1073304765 /nfs/dbraw/zinc/30/47/65/1073304765.db2.gz GZDVVVIKGUFQMC-UHFFFAOYSA-N -1 0 546.023 6.266 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409274695 1073306784 /nfs/dbraw/zinc/30/67/84/1073306784.db2.gz FUCPCBWDVHMFBX-UHFFFAOYSA-N -1 0 604.707 6.729 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)n(-c4ccc(OCc5cccc(C(=O)[O-])c5)cc4)c3C)cc21 ZINC000409276607 1073327683 /nfs/dbraw/zinc/32/76/83/1073327683.db2.gz UACKZETVZGUXJM-UHFFFAOYSA-N -1 0 638.680 7.385 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2[N+](=O)[O-])c1 ZINC000409276504 1073329974 /nfs/dbraw/zinc/32/99/74/1073329974.db2.gz RZASWACCWYFBAB-UHFFFAOYSA-N -1 0 718.314 7.402 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000409286955 1073339464 /nfs/dbraw/zinc/33/94/64/1073339464.db2.gz XNVMXAVKTBACSK-UHFFFAOYSA-N -1 0 528.790 5.950 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(OCC(=O)[O-])cc1 ZINC000409287002 1073339702 /nfs/dbraw/zinc/33/97/02/1073339702.db2.gz XUCJSOYWQTWTBZ-UHFFFAOYSA-N -1 0 537.414 5.036 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1 ZINC000409286986 1073339718 /nfs/dbraw/zinc/33/97/18/1073339718.db2.gz XRRXYYFCVFWJLX-UHFFFAOYSA-N -1 0 594.421 6.732 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Cl)cc1 ZINC000409286071 1073352171 /nfs/dbraw/zinc/35/21/71/1073352171.db2.gz XQIIMXRMFNOZNZ-UHFFFAOYSA-N -1 0 550.442 6.910 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409285665 1073354023 /nfs/dbraw/zinc/35/40/23/1073354023.db2.gz UPCUSSLTPKPVIT-CYBMUJFWSA-N -1 0 581.261 5.178 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(S(=O)(=O)[N-]C(C)=O)cc3)o2)cc1C(C)C ZINC000409284860 1073364157 /nfs/dbraw/zinc/36/41/57/1073364157.db2.gz SACHOEXGPFGVCW-UHFFFAOYSA-N -1 0 598.681 5.471 40 30 KKEBRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)o2)cc1 ZINC000409284569 1073367071 /nfs/dbraw/zinc/36/70/71/1073367071.db2.gz ROXKYOYHFSZXGQ-UHFFFAOYSA-N -1 0 587.013 5.430 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409284090 1073371772 /nfs/dbraw/zinc/37/17/72/1073371772.db2.gz SGHCCOURWAJYRG-UHFFFAOYSA-N -1 0 609.433 5.749 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409284080 1073371812 /nfs/dbraw/zinc/37/18/12/1073371812.db2.gz SFEZHGPERWDSAU-CQSZACIVSA-N -1 0 689.744 7.121 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2[N+](=O)[O-])c1 ZINC000409283862 1073375688 /nfs/dbraw/zinc/37/56/88/1073375688.db2.gz SGIRZDXIMAWWQV-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409283686 1073376611 /nfs/dbraw/zinc/37/66/11/1073376611.db2.gz SJLKTPJMTWPBTL-UHFFFAOYSA-N -1 0 524.621 5.670 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409283724 1073377181 /nfs/dbraw/zinc/37/71/81/1073377181.db2.gz PRXAGXJCKUBVAN-UHFFFAOYSA-N -1 0 556.800 5.289 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000409283160 1073380285 /nfs/dbraw/zinc/38/02/85/1073380285.db2.gz RDLUHUDAPREREK-UHFFFAOYSA-N -1 0 594.893 7.020 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cc1C(C)C ZINC000409282940 1073384717 /nfs/dbraw/zinc/38/47/17/1073384717.db2.gz PPDSLBXLWZYSSA-UHFFFAOYSA-N -1 0 576.697 7.190 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409282576 1073387566 /nfs/dbraw/zinc/38/75/66/1073387566.db2.gz HJLMTPZWUCLAFZ-IBGZPJMESA-N -1 0 578.065 6.290 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OCC)c1OCC(=O)[O-] ZINC000409282531 1073390273 /nfs/dbraw/zinc/39/02/73/1073390273.db2.gz HGQCNBUZHNJBJS-UHFFFAOYSA-N -1 0 569.658 5.977 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Cl)c1 ZINC000409282351 1073391663 /nfs/dbraw/zinc/39/16/63/1073391663.db2.gz NLUFPAGAWQDKFS-UHFFFAOYSA-N -1 0 550.442 6.910 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409281590 1073399362 /nfs/dbraw/zinc/39/93/62/1073399362.db2.gz MXYQTFBKBBOSPV-UHFFFAOYSA-N -1 0 687.385 6.773 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Br)c1 ZINC000409281482 1073402233 /nfs/dbraw/zinc/40/22/33/1073402233.db2.gz MNVKQRXMBZELBF-UHFFFAOYSA-N -1 0 707.762 8.148 40 30 KKEBRM C=C(CC[C@@H](C(=O)[O-])[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028654649 290672340 /nfs/dbraw/zinc/67/23/40/290672340.db2.gz RWIALJIVPUCERT-DRCQUEPLSA-N -1 0 526.758 7.107 40 30 biogenic,in-vitro KKEBRM C=C(C)[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(COC(C)=O)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253534739 291531220 /nfs/dbraw/zinc/53/12/20/291531220.db2.gz UTGRZYZMRODBMC-CCOQHXFPSA-N -1 0 514.747 6.633 40 30 biogenic,in-vitro KKEBRM CCn1c(S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634145 195479070 /nfs/dbraw/zinc/47/90/70/195479070.db2.gz RMMKVQHFSIEHAR-WGARJPEWSA-N -1 0 589.743 6.420 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409051483 195502226 /nfs/dbraw/zinc/50/22/26/195502226.db2.gz CUXKEKJNTYRHQP-ASCZMWPCSA-N -1 0 513.402 6.504 40 30 KKEBRM O=C([O-])c1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1 ZINC000001434056 551670443 /nfs/dbraw/zinc/67/04/43/551670443.db2.gz PLIASXXIDVMAQX-VSPBFFAOSA-N -1 0 577.434 6.101 40 30 KKEBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C2=O)c1 ZINC000002302943 551808444 /nfs/dbraw/zinc/80/84/44/551808444.db2.gz RQVKLOFNNKOMDR-LPYMAVHISA-N -1 0 514.607 5.812 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000002262694 552084946 /nfs/dbraw/zinc/08/49/46/552084946.db2.gz UKFRXDSFYRYLDF-OCKHKDLRSA-N -1 0 510.308 5.250 40 30 KKEBRM Cc1cc2nc(-c3cc(/N=C/c4ccc(OC(=O)c5cccc(Br)c5)cc4)ccc3[O-])oc2c(C)c1 ZINC000003032274 552268130 /nfs/dbraw/zinc/26/81/30/552268130.db2.gz JJICHPKWEJXGRG-WCMJOSRZSA-N -1 0 541.401 7.550 40 30 KKEBRM Cc1c(Br)c([O-])c(Br)c(O)c1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000003083449 552285845 /nfs/dbraw/zinc/28/58/45/552285845.db2.gz XVOJBQQDOSKVQJ-MWRNPHMMSA-N -1 0 571.052 7.797 40 30 KKEBRM COC(=O)c1ccc(COc2ccccc2C=Nn2c(-c3ccc(OC(F)F)cc3)n[n-]c2=S)cc1 ZINC000003310900 552351703 /nfs/dbraw/zinc/35/17/03/552351703.db2.gz HDWRCWUDMVDFNM-CCVNUDIWSA-N -1 0 510.522 5.457 40 30 KKEBRM Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Nc3ccc(/N=C\c4cc([N+](=O)[O-])ccc4[O-])cc3)c2)cc1 ZINC000004558518 552467253 /nfs/dbraw/zinc/46/72/53/552467253.db2.gz MGGCVYXREGKWFR-FDUMAKPYSA-N -1 0 670.563 8.411 40 30 KKEBRM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000012601158 553401882 /nfs/dbraw/zinc/40/18/82/553401882.db2.gz ZRQREPVGJXZRIP-DHRITJCHSA-N -1 0 510.906 5.487 40 30 KKEBRM CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C)c1ccc(OC(F)F)cc1 ZINC000012652719 553410070 /nfs/dbraw/zinc/41/00/70/553410070.db2.gz CZLFIGDNDXAETC-NHFJDJAPSA-N -1 0 518.542 5.840 40 30 KKEBRM O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000013573363 553474518 /nfs/dbraw/zinc/47/45/18/553474518.db2.gz GMPFREHFLLJZGH-XAYXJRQQSA-N -1 0 502.943 5.591 40 30 KKEBRM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000015162182 553528468 /nfs/dbraw/zinc/52/84/68/553528468.db2.gz HJWRVGIQAMOVEU-HXUWFJFHSA-N -1 0 513.731 5.794 40 30 KKEBRM Cc1c(Cl)c(C)c(/C=N/c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c([O-])c1Br ZINC000016249247 553557878 /nfs/dbraw/zinc/55/78/78/553557878.db2.gz MZSVHVWTVCNEEK-IPPBACCNSA-N -1 0 513.863 7.725 40 30 KKEBRM O=C([O-])c1ccc(Cl)cc1NC=C(C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccccc1 ZINC000016523751 553567006 /nfs/dbraw/zinc/56/70/06/553567006.db2.gz IHIQIWZBWMCHMO-CPNJWEJPSA-N -1 0 513.863 5.369 40 30 KKEBRM CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000016692165 553573757 /nfs/dbraw/zinc/57/37/57/553573757.db2.gz XKEJGVUKFMCWJX-UHFFFAOYSA-N -1 0 530.459 5.618 40 30 KKEBRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000077320120 553665373 /nfs/dbraw/zinc/66/53/73/553665373.db2.gz HOOQJZTUMKGZMP-UHFFFAOYSA-N -1 0 575.687 6.271 40 30 in-vitro KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NC[C@@H](CC(=O)[O-])c1ccccc1 ZINC000079221789 553672131 /nfs/dbraw/zinc/67/21/31/553672131.db2.gz ZXUPZKALWACUFH-TWANPLRQSA-N -1 0 720.904 5.193 40 30 KKEBRM Cc1cc(C)n(-c2nc(N=NCc3cc(Br)cc(Br)c3[O-])nc(Nc3ccc(Br)cc3)n2)n1 ZINC000097949060 553799078 /nfs/dbraw/zinc/79/90/78/553799078.db2.gz ZXNMPLVJZSUPRW-KIBLKLHPSA-N -1 0 637.134 5.857 40 30 KKEBRM CCCC(=O)c1ccccc1C(c1cc(Br)c([O-])c(Br)c1)=C1C=C(Br)C(=O)C(Br)=C1 ZINC000097949392 553801660 /nfs/dbraw/zinc/80/16/60/553801660.db2.gz DIGQODDWPRJPIN-UHFFFAOYSA-N -1 0 659.994 7.842 40 30 KKEBRM Cc1cc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000032111991 553863810 /nfs/dbraw/zinc/86/38/10/553863810.db2.gz WBZIZUNKPRMLHB-FDAWAROLSA-N -1 0 505.530 6.949 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000033438064 553960407 /nfs/dbraw/zinc/96/04/07/553960407.db2.gz LVHSNKUFTPKDSR-CFRMEGHHSA-N -1 0 509.371 5.547 40 30 KKEBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000097972339 553966627 /nfs/dbraw/zinc/96/66/27/553966627.db2.gz OFGRZAQYCQPCLB-MTJSOVHGSA-N -1 0 532.350 5.415 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2C[C@@H](c3ccccc3)Oc3ccccc32)c(C)c1 ZINC000097980770 553990541 /nfs/dbraw/zinc/99/05/41/553990541.db2.gz ZVBJCLMGFNMNSC-WCKLRORHSA-N -1 0 542.617 6.352 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)ccc1OCc1ccccc1 ZINC000035656413 554062003 /nfs/dbraw/zinc/06/20/03/554062003.db2.gz RFMSUXPAUDRPEZ-WZNPNLAZSA-N -1 0 502.592 5.986 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000035656304 554062068 /nfs/dbraw/zinc/06/20/68/554062068.db2.gz KPWFBDXTEBXICE-PDSYLDJCSA-N -1 0 502.592 5.905 40 30 KKEBRM O=C([O-])c1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000100039665 554191901 /nfs/dbraw/zinc/19/19/01/554191901.db2.gz FJIDWLITKNBSQJ-LCIRPYIXSA-N -1 0 548.598 6.491 40 30 KKEBRM C[C@H](Sc1nc2ccc(/N=C/c3cc(Br)c([O-])c(Br)c3)cc2s1)C(=O)Nc1nccs1 ZINC000100097365 554218963 /nfs/dbraw/zinc/21/89/63/554218963.db2.gz NOMJENMTAUSRGE-OEXWIMQBSA-N -1 0 598.367 6.853 40 30 KKEBRM Cc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccccc4C(=O)[O-])o3)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000100142698 554228850 /nfs/dbraw/zinc/22/88/50/554228850.db2.gz NBVXNCVPRUJGSR-FADJLKOXSA-N -1 0 587.684 6.787 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000100231059 554256747 /nfs/dbraw/zinc/25/67/47/554256747.db2.gz QXLVOONCWRJSIU-AURYFDHZSA-N -1 0 581.488 6.667 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000100236660 554258834 /nfs/dbraw/zinc/25/88/34/554258834.db2.gz ZLAXZDUJHDQWKF-HMGGVMEDSA-N -1 0 619.493 7.132 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000100314456 554302402 /nfs/dbraw/zinc/30/24/02/554302402.db2.gz CZFMBBUNIXHZQU-UHFFFAOYSA-N -1 0 550.995 5.715 40 30 KKEBRM O=C([O-])c1cccc(-n2cccc2/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000100325411 554309347 /nfs/dbraw/zinc/30/93/47/554309347.db2.gz OCKQLONWWZWAFF-UIVRLILESA-N -1 0 532.625 6.504 40 30 KKEBRM O=C(C1=C([O-])C2C(=N1)Oc1c3ccccc3oc(=O)c1[C@H]2c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000100351069 554331041 /nfs/dbraw/zinc/33/10/41/554331041.db2.gz VUKNQMRCYLBZAD-UGKGYDQZSA-N -1 0 593.227 5.478 40 30 KKEBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000059135227 554381194 /nfs/dbraw/zinc/38/11/94/554381194.db2.gz XGRPCCOMQIFQEY-KEBDBYFISA-N -1 0 505.889 5.445 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000059135607 554381565 /nfs/dbraw/zinc/38/15/65/554381565.db2.gz UITCNRHJBPQBIA-BUVRLJJBSA-N -1 0 518.516 6.178 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000059135578 554381658 /nfs/dbraw/zinc/38/16/58/554381658.db2.gz XBHNDGRPRNSBRV-HYARGMPZSA-N -1 0 504.489 5.788 40 30 KKEBRM C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000059198231 554384748 /nfs/dbraw/zinc/38/47/48/554384748.db2.gz NIUIIAQGKYETAG-HZHRSRAPSA-N -1 0 520.383 5.928 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(/C=C3\S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)o2)ccc1Cl ZINC000100441809 554393684 /nfs/dbraw/zinc/39/36/84/554393684.db2.gz XGZQHNMKTVFDHV-VHOCVAHHSA-N -1 0 529.017 6.971 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc2s1)Nc1ccccc1C(F)(F)F ZINC000100455384 554395941 /nfs/dbraw/zinc/39/59/41/554395941.db2.gz CPBUQVJQPVVLKC-LUOAPIJWSA-N -1 0 532.525 6.410 40 30 KKEBRM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100455959 554396339 /nfs/dbraw/zinc/39/63/39/554396339.db2.gz KVXGEQOGQQITOS-UILYKIRISA-N -1 0 558.295 6.590 40 30 KKEBRM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3nc(S[C@H](c4ccccc4)c4ccc(Cl)cc4)sc3c2)c1 ZINC000100457376 554396651 /nfs/dbraw/zinc/39/66/51/554396651.db2.gz WCFYZDHVWHMYFU-QLPUOYLQSA-N -1 0 532.046 8.196 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000059475484 554397139 /nfs/dbraw/zinc/39/71/39/554397139.db2.gz PLCMVRCBZFCOBB-YSURURNPSA-N -1 0 508.132 5.523 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 ZINC000100460269 554397473 /nfs/dbraw/zinc/39/74/73/554397473.db2.gz XWBPIDGAOCMUJP-TUYTUYLVSA-N -1 0 555.939 9.594 40 30 KKEBRM Cc1cc(N=NC(C)c2ccc([N+](=O)[O-])cc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000100506621 554407810 /nfs/dbraw/zinc/40/78/10/554407810.db2.gz PXEFJOFDVGZXFY-BHGWPJFGSA-N -1 0 521.169 5.427 40 30 KKEBRM N#CC(C#N)[C@@H](c1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1)c1ccc(Br)cc1 ZINC000100553804 554415800 /nfs/dbraw/zinc/41/58/00/554415800.db2.gz MUBJBPKFIQUDBL-DEOSSOPVSA-N -1 0 552.457 6.926 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000100561515 554417974 /nfs/dbraw/zinc/41/79/74/554417974.db2.gz FUUNGEBKMREEDE-HXUWFJFHSA-N -1 0 520.276 6.390 40 30 KKEBRM CCCCCCCCOC(=O)C(/C=C/c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1)C(=O)OCCCCCCCC ZINC000059664048 554421775 /nfs/dbraw/zinc/42/17/75/554421775.db2.gz QVRYCGLZGNEYKI-JJIBRWJFSA-N -1 0 594.745 8.041 40 30 KKEBRM C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@H]1O ZINC000100570921 554421864 /nfs/dbraw/zinc/42/18/64/554421864.db2.gz FMRFCBBDHDGKKZ-DJZHHHANSA-N -1 0 600.837 6.294 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 ZINC000100930774 554527274 /nfs/dbraw/zinc/52/72/74/554527274.db2.gz YRAOMFJXXHUWDY-AUEPDCJTSA-N -1 0 567.124 5.555 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000100936684 554530703 /nfs/dbraw/zinc/53/07/03/554530703.db2.gz XTBUFQWEURMYJS-AHPASSLASA-N -1 0 567.461 6.277 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100937035 554531077 /nfs/dbraw/zinc/53/10/77/554531077.db2.gz LXAKBESIWUWHBJ-SILRWXEESA-N -1 0 513.402 6.504 40 30 KKEBRM COc1c(Br)cc(Br)cc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000100937627 554531335 /nfs/dbraw/zinc/53/13/35/554531335.db2.gz QOIIDNIMSPKMOE-LJLXHGTCSA-N -1 0 526.206 5.152 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100937677 554531369 /nfs/dbraw/zinc/53/13/69/554531369.db2.gz YBQHRIIXQHCFDK-SILRWXEESA-N -1 0 541.398 6.099 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCC ZINC000100939416 554531931 /nfs/dbraw/zinc/53/19/31/554531931.db2.gz LDBSPDRURMJHOI-FRYIGISESA-N -1 0 552.390 5.021 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccccc1Cl ZINC000100939154 554532009 /nfs/dbraw/zinc/53/20/09/554532009.db2.gz RWJGVGFIOUXTBE-LUAXBZEPSA-N -1 0 508.983 5.860 40 30 KKEBRM C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)c([O-])c(Br)c1)Nc1ccccc1-2 ZINC000101002560 554553071 /nfs/dbraw/zinc/55/30/71/554553071.db2.gz MTFVTQLTDYGYSG-QGZVFWFLSA-N -1 0 522.222 5.550 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OCC ZINC000101014678 554558904 /nfs/dbraw/zinc/55/89/04/554558904.db2.gz RNNNDZXEZOTXEM-FCDQGJHFSA-N -1 0 507.718 6.671 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101014788 554559039 /nfs/dbraw/zinc/55/90/39/554559039.db2.gz UIUCFZCXWXYUOA-KOEQRZSOSA-N -1 0 527.708 7.237 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000101015028 554559373 /nfs/dbraw/zinc/55/93/73/554559373.db2.gz GMEKWXUKQFTYSI-KAZUZNLKSA-N -1 0 527.708 6.850 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC ZINC000101015111 554559477 /nfs/dbraw/zinc/55/94/77/554559477.db2.gz SALOAJNCBKRQGV-SYXCRGJESA-N -1 0 529.680 6.633 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OC ZINC000101015107 554559510 /nfs/dbraw/zinc/55/95/10/554559510.db2.gz VWZJHYHNBKPEPD-MRSJDWDVSA-N -1 0 513.681 6.927 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OCC ZINC000101015293 554560019 /nfs/dbraw/zinc/56/00/19/554560019.db2.gz XRMQOLMYKJEUDF-OAKZWBAKSA-N -1 0 543.707 7.023 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101015291 554560033 /nfs/dbraw/zinc/56/00/33/554560033.db2.gz AIZCEILBCLITCZ-WZGTUUFSSA-N -1 0 527.708 7.317 40 30 KKEBRM COc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1O ZINC000101027091 554564147 /nfs/dbraw/zinc/56/41/47/554564147.db2.gz STPKVPUQNXUTFL-FQEVSTJZSA-N -1 0 537.644 5.389 40 30 KKEBRM COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)[N-]C5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000101262643 554697661 /nfs/dbraw/zinc/69/76/61/554697661.db2.gz NAXBQOBKRFCYKY-PTJSOBJVSA-N -1 0 640.887 7.602 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000101494119 554786523 /nfs/dbraw/zinc/78/65/23/554786523.db2.gz BSLKSSCLRZQTSY-OEAKJJBVSA-N -1 0 581.850 6.085 40 30 KKEBRM C=CCOc1cc(Br)c(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2c2ccccc2)cc1OCC ZINC000101524500 554794313 /nfs/dbraw/zinc/79/43/13/554794313.db2.gz NWEBZXANEKIYRK-JCMHNJIXSA-N -1 0 547.405 5.945 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)/N=C3\N=C4C=CC(Br)=CN4Cc4ccccc43)ccc2Cl)cc1 ZINC000102943288 555170761 /nfs/dbraw/zinc/17/07/61/555170761.db2.gz VUCGXLBBHXMPJO-ZXPTYKNPSA-N -1 0 611.905 5.757 40 30 KKEBRM CCN(CC)C(=O)COc1ccc(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 ZINC000102983672 555189414 /nfs/dbraw/zinc/18/94/14/555189414.db2.gz WNMRLIULKRJBTA-MTDXEUNCSA-N -1 0 574.059 5.132 40 30 KKEBRM CCn1c2ccccc2c2cc(CN=Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[N+](=O)[O-])ccc21 ZINC000102983677 555189536 /nfs/dbraw/zinc/18/95/36/555189536.db2.gz DHLCGXLOFSMHOY-STBIYBPSSA-N -1 0 548.024 6.623 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(NN=C2c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000102983871 555189699 /nfs/dbraw/zinc/18/96/99/555189699.db2.gz PHZQQACEYBFCCT-TVKQRKNISA-N -1 0 592.033 5.421 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 ZINC000102983947 555189999 /nfs/dbraw/zinc/18/99/99/555189999.db2.gz UBDNOEQFPOLXIT-RDRPBHBLSA-N -1 0 562.604 5.438 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000103586768 555451871 /nfs/dbraw/zinc/45/18/71/555451871.db2.gz QFHZTKBQJFIWAM-CFRMEGHHSA-N -1 0 541.991 5.503 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(C)c([C@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000103621366 555456655 /nfs/dbraw/zinc/45/66/55/555456655.db2.gz HJLPUCHWIKSBPK-JOCHJYFZSA-N -1 0 520.412 5.576 40 30 KKEBRM Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c([O-])c(Br)c4)cc3s2)c(C)c1 ZINC000103746656 555466966 /nfs/dbraw/zinc/46/69/66/555466966.db2.gz BAAXGASWFFXOKV-IPBVOBEMSA-N -1 0 619.404 7.934 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000103783291 555476604 /nfs/dbraw/zinc/47/66/04/555476604.db2.gz MLDXETBGLVZNMU-WUSSIKMHSA-N -1 0 590.104 8.397 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000103842449 571362504 /nfs/dbraw/zinc/36/25/04/571362504.db2.gz WNVDCHCMNQTDOQ-FJEPWZHXSA-N -1 0 544.655 6.100 40 30 KKEBRM N#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000103845052 571363134 /nfs/dbraw/zinc/36/31/34/571363134.db2.gz LZRRANNAHAMDFW-FSJBWODESA-N -1 0 560.448 5.486 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103847917 571363741 /nfs/dbraw/zinc/36/37/41/571363741.db2.gz WSPCXVIAPCLQLT-CIAFOILYSA-N -1 0 604.397 5.608 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103848247 571363786 /nfs/dbraw/zinc/36/37/86/571363786.db2.gz SMGLCMFVXWIREX-LPYMAVHISA-N -1 0 526.973 6.047 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000103849155 571363968 /nfs/dbraw/zinc/36/39/68/571363968.db2.gz NHZZVFSPHFRRGW-BUVRLJJBSA-N -1 0 534.971 5.852 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000103851334 571364968 /nfs/dbraw/zinc/36/49/68/571364968.db2.gz WFXMFGOMPNQGRN-PXLXIMEGSA-N -1 0 595.490 6.126 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000103859528 571367265 /nfs/dbraw/zinc/36/72/65/571367265.db2.gz AFISYJKPXGHWFP-BUVRLJJBSA-N -1 0 579.422 5.961 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000103859555 571367291 /nfs/dbraw/zinc/36/72/91/571367291.db2.gz CNMZEOVSFJPLNQ-MTDXEUNCSA-N -1 0 611.492 6.975 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103867377 571368094 /nfs/dbraw/zinc/36/80/94/571368094.db2.gz JGTLBPOZWOABFW-XKZIYDEJSA-N -1 0 539.407 5.627 40 30 KKEBRM CCCCCCCCCCCCC/C=C/C[C@H](CC(=O)[O-])C(=O)Nc1ccc(-n2c(=O)cc(C)n2C)cc1 ZINC000104140589 571374748 /nfs/dbraw/zinc/37/47/48/571374748.db2.gz XDZUTQBXQSQVPT-ZMNABIIRSA-N -1 0 525.734 7.161 40 30 KKEBRM N#Cc1c(/N=C/c2cc(I)c([O-])c(I)c2)sc2c1CCCC2 ZINC000105509352 571406757 /nfs/dbraw/zinc/40/67/57/571406757.db2.gz UOPFSTXACHUXAD-DNTJNYDQSA-N -1 0 534.160 5.164 40 30 KKEBRM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000105573099 571407625 /nfs/dbraw/zinc/40/76/25/571407625.db2.gz RCQDSNVOEROYFD-NRFANRHFSA-N -1 0 524.831 6.221 40 30 KKEBRM [O-]c1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5Cl)cc(Br)c4O)ccc3o2)cc1Br ZINC000109503639 571429277 /nfs/dbraw/zinc/42/92/77/571429277.db2.gz FTCWGOSJUPSSAU-XAZZYMPDSA-N -1 0 612.705 8.426 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4[O-])c3)nc2c1 ZINC000109545516 571429434 /nfs/dbraw/zinc/42/94/34/571429434.db2.gz IXGKIUQGUTUZNJ-ZKJHFGPLSA-N -1 0 528.244 7.990 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3)nc2c1 ZINC000109511306 571429452 /nfs/dbraw/zinc/42/94/52/571429452.db2.gz GBWDAYPSHOYXQF-HWDKICEFSA-N -1 0 528.244 7.990 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000110721104 571431732 /nfs/dbraw/zinc/43/17/32/571431732.db2.gz AFXZLEDLFZWZKA-GKKIUYLVSA-N -1 0 502.592 5.905 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110720023 571431809 /nfs/dbraw/zinc/43/18/09/571431809.db2.gz LLYOLOWOIDJSOQ-JQRJDVQMSA-N -1 0 606.325 7.657 40 30 KKEBRM CCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC ZINC000110757062 571431819 /nfs/dbraw/zinc/43/18/19/571431819.db2.gz TWFDTACJTJYEPU-PUCVJYRNSA-N -1 0 552.390 5.021 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110728130 571431873 /nfs/dbraw/zinc/43/18/73/571431873.db2.gz MMPWZDGYKIUSNU-LAPFSXHNSA-N -1 0 527.429 6.895 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000110757387 571431880 /nfs/dbraw/zinc/43/18/80/571431880.db2.gz XPRURPBRQRVUOL-LOUJJALRSA-N -1 0 587.879 6.622 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110758888 571431896 /nfs/dbraw/zinc/43/18/96/571431896.db2.gz LYIUTEHOHJPDQP-KIZKDISCSA-N -1 0 537.435 6.350 40 30 KKEBRM COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918268 571444574 /nfs/dbraw/zinc/44/45/74/571444574.db2.gz QEJFEIOBCOMMKR-XBYHGHKJSA-N -1 0 609.720 5.041 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921758 571446432 /nfs/dbraw/zinc/44/64/32/571446432.db2.gz ZKLSMMQOZBNCNB-NBAHOYRFSA-N -1 0 556.744 5.014 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118934151 571447794 /nfs/dbraw/zinc/44/77/94/571447794.db2.gz KQGBJEZYOYEOPW-PTGHDTMFSA-N -1 0 522.686 5.057 40 30 KKEBRM CCc1n[n-]c(=S)n1N=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1 ZINC000139210185 571453086 /nfs/dbraw/zinc/45/30/86/571453086.db2.gz LOWCMBXSFCPNMH-LSHDLFTRSA-N -1 0 526.254 5.498 40 30 KKEBRM O=C1C=CC(=C(c2ccc(O)cc2)c2c(Br)c(Br)c(Br)c(Br)c2S(=O)(=O)[O-])C=C1 ZINC000150339992 571457693 /nfs/dbraw/zinc/45/76/93/571457693.db2.gz FUQZKEYZOQPRRU-UHFFFAOYSA-N -1 0 669.967 6.186 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C([O-])=C(Sc2nc3ccccc3s2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000150382473 571467212 /nfs/dbraw/zinc/46/72/12/571467212.db2.gz GULZKOHYUFAIPP-RRHRGVEJSA-N -1 0 802.072 11.052 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150382514 571467238 /nfs/dbraw/zinc/46/72/38/571467238.db2.gz WAQHJEADLFBQCT-MIJAQDJLSA-N -1 0 741.301 6.315 40 30 KKEBRM Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3s2)cc1Cl ZINC000150384267 571468244 /nfs/dbraw/zinc/46/82/44/571468244.db2.gz QRAMYCAZNJMBAF-YPXUMCKCSA-N -1 0 719.795 7.654 40 30 KKEBRM C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000150398581 571477339 /nfs/dbraw/zinc/47/73/39/571477339.db2.gz YWLYGSSMGSIXLN-BIIGZHCBSA-N -1 0 670.851 5.120 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)[N-]C6=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000150432974 571494553 /nfs/dbraw/zinc/49/45/53/571494553.db2.gz WJRJONZDINDKQJ-REOOCOKASA-N -1 0 695.967 7.288 40 30 KKEBRM CCOC(=O)c1c(/N=C\c2cc(I)cc(I)c2[O-])sc2c1CCN(Cc1ccccc1)C2 ZINC000150440645 571498058 /nfs/dbraw/zinc/49/80/58/571498058.db2.gz JECFBQKQYVNBEY-PPDIBHTLSA-N -1 0 672.326 6.149 40 30 KKEBRM CCOC(=O)c1ccc(NC(=O)COc2c(Br)cc(C=NNc3nnc4c5ccccc5nc-4[n-]3)cc2OCC)cc1 ZINC000150524611 571520346 /nfs/dbraw/zinc/52/03/46/571520346.db2.gz AQHMQEFFZAUZKC-IBBHUPRXSA-N -1 0 632.475 5.308 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(Sc3nc(N4CCCCC4)nc(N4CCCCC4)n3)sc2c1 ZINC000163446459 571535356 /nfs/dbraw/zinc/53/53/56/571535356.db2.gz VOUSHOFUAHKCMZ-OKCVXOCRSA-N -1 0 783.503 7.279 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000164340913 571545979 /nfs/dbraw/zinc/54/59/79/571545979.db2.gz HSHFAFMBTFUEKX-VTNSRFBWSA-N -1 0 681.627 7.899 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000164336538 571546127 /nfs/dbraw/zinc/54/61/27/571546127.db2.gz CGKKZCRIWIJSQE-ZSNJKBEMSA-N -1 0 652.791 8.290 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)NC[C@@H]1CCCO1 ZINC000164707062 571550690 /nfs/dbraw/zinc/55/06/90/571550690.db2.gz HBCUVLZFXYRQBO-ANYUSWCHSA-N -1 0 679.343 5.349 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000164706130 571550699 /nfs/dbraw/zinc/55/06/99/571550699.db2.gz LZSFKBRBRFUDOP-KIBLKLHPSA-N -1 0 622.320 6.917 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)c([O-])c(Br)c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000164706503 571550758 /nfs/dbraw/zinc/55/07/58/571550758.db2.gz NNEUDADFAHVOPH-KIBLKLHPSA-N -1 0 622.320 6.917 40 30 KKEBRM CCCCCCCCCCCCCCCCCc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000221964986 571604463 /nfs/dbraw/zinc/60/44/63/571604463.db2.gz AQPRQSHMCOYYFU-VLIKKJPDSA-N -1 0 743.009 10.715 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])[C@H](C)CC)C2=O)cc1OC ZINC000226533356 572138572 /nfs/dbraw/zinc/13/85/72/572138572.db2.gz KTSKLQDXWASIMP-YMVTYLNVSA-N -1 0 507.718 6.524 40 30 KKEBRM CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c(C#N)c1C ZINC000408526580 572157662 /nfs/dbraw/zinc/15/76/62/572157662.db2.gz BOVHOOWDSKCKNN-KGENOOAVSA-N -1 0 637.556 5.914 40 30 KKEBRM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000408529203 572167172 /nfs/dbraw/zinc/16/71/72/572167172.db2.gz CKVPFWWEPPTRFM-KYPMJVNZSA-N -1 0 537.317 5.308 40 30 KKEBRM O=C([O-])COc1ccc(Br)cc1/C=C1\S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000408529982 572170440 /nfs/dbraw/zinc/17/04/40/572170440.db2.gz JWFRXSJVUPYFMM-ZEEHGSAPSA-N -1 0 578.271 7.028 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408529960 572170466 /nfs/dbraw/zinc/17/04/66/572170466.db2.gz JTVNTZNJJWEIMU-ZEEHGSAPSA-N -1 0 533.820 6.919 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408530141 572170894 /nfs/dbraw/zinc/17/08/94/572170894.db2.gz KVMLUCACNSWEOQ-BGGVGALWSA-N -1 0 698.422 9.240 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408530634 572172486 /nfs/dbraw/zinc/17/24/86/572172486.db2.gz MVGLDEYBNMJQJW-ZEEHGSAPSA-N -1 0 578.271 7.028 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408531098 572174586 /nfs/dbraw/zinc/17/45/86/572174586.db2.gz OEBNYRRLJGCHQG-ZKZIPFBZSA-N -1 0 608.297 7.037 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408532186 572178746 /nfs/dbraw/zinc/17/87/46/572178746.db2.gz SRAPWVLGKWKJOP-YQTYGERVSA-N -1 0 731.395 8.692 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408532572 572179980 /nfs/dbraw/zinc/17/99/80/572179980.db2.gz OELGGOAPGBYYBV-UNFXSYILSA-N -1 0 578.690 7.788 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408532860 572181563 /nfs/dbraw/zinc/18/15/63/572181563.db2.gz PLMKXGMTKBXVNA-XKZIYDEJSA-N -1 0 508.983 5.826 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408533395 572183293 /nfs/dbraw/zinc/18/32/93/572183293.db2.gz YLBXAKFTMGDNSU-BKUYFWCQSA-N -1 0 509.381 5.618 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408533901 572184971 /nfs/dbraw/zinc/18/49/71/572184971.db2.gz SXDJDGQFENVKFE-BLGMPFDXSA-N -1 0 613.533 8.152 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408534776 572187096 /nfs/dbraw/zinc/18/70/96/572187096.db2.gz WOUQYAPGVPCISO-QITZVISUSA-N -1 0 523.010 6.237 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408537748 572195756 /nfs/dbraw/zinc/19/57/56/572195756.db2.gz HDBMEVYYUVRQQJ-PTGBLXJZSA-N -1 0 543.458 6.254 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408538221 572197523 /nfs/dbraw/zinc/19/75/23/572197523.db2.gz KHWWSWPYXXHXFP-QNGOZBTKSA-N -1 0 577.903 6.907 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408539259 572201414 /nfs/dbraw/zinc/20/14/14/572201414.db2.gz UTUGYHFPZXJEAB-DIBXZPPDSA-N -1 0 635.555 7.442 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408539368 572201973 /nfs/dbraw/zinc/20/19/73/572201973.db2.gz WAUGFVGYVCBOQQ-LTGZKZEYSA-N -1 0 533.850 6.508 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408539346 572201995 /nfs/dbraw/zinc/20/19/95/572201995.db2.gz GWNLBUXJVDEJNP-QJOMJCCJSA-N -1 0 631.564 7.051 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408539666 572202779 /nfs/dbraw/zinc/20/27/79/572202779.db2.gz JFMAISXOMURYRU-DEDYPNTBSA-N -1 0 577.903 6.825 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408539807 572203269 /nfs/dbraw/zinc/20/32/69/572203269.db2.gz ZBIOFLGHNVQYNY-XSFVSMFZSA-N -1 0 608.327 6.626 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000408540146 572204701 /nfs/dbraw/zinc/20/47/01/572204701.db2.gz NRNFWOXUAINGBU-XDHOZWIPSA-N -1 0 523.844 7.053 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1Cl ZINC000408541021 572207589 /nfs/dbraw/zinc/20/75/89/572207589.db2.gz XHILNDQZFMCCEF-QNGOZBTKSA-N -1 0 577.505 7.197 40 30 KKEBRM N#Cc1c(NC(=O)CN2CCC(C(=O)[O-])(c3ccccc3)CC2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408547508 572225646 /nfs/dbraw/zinc/22/56/46/572225646.db2.gz YPAMLYJZOHRHEF-UHFFFAOYSA-N -1 0 505.574 5.542 40 30 KKEBRM C=CCc1cc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408630733 572286590 /nfs/dbraw/zinc/28/65/90/572286590.db2.gz ARKVVSOBKCSTDH-MZJWZYIUSA-N -1 0 608.116 7.066 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[O-])o1 ZINC000408631012 572286867 /nfs/dbraw/zinc/28/68/67/572286867.db2.gz BPSDXWGPNOCZBU-ROTLSHHCSA-N -1 0 543.004 6.491 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000408631332 572287455 /nfs/dbraw/zinc/28/74/55/572287455.db2.gz HQLQTBOFVUAUAK-KSEXSDGBSA-N -1 0 597.878 6.565 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1OCC ZINC000408631792 572288012 /nfs/dbraw/zinc/28/80/12/572288012.db2.gz GKVPNBKGPFKZMS-JMIUGGIZSA-N -1 0 516.959 5.036 40 30 KKEBRM C=CCOc1ccc(Br)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)[O-] ZINC000408632130 572288461 /nfs/dbraw/zinc/28/84/61/572288461.db2.gz HNVJQVFGFDSAOM-UYRXBGFRSA-N -1 0 520.836 6.164 40 30 KKEBRM C=CCOc1c(I)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1I ZINC000408633412 572290096 /nfs/dbraw/zinc/29/00/96/572290096.db2.gz MWFVBNPSAGOYLA-LSCVHKIXSA-N -1 0 692.269 5.746 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cn(Cc4ccc(C#N)cc4)c4ccccc34)C(=O)[O-])n[nH]2)c1 ZINC000408633505 572290161 /nfs/dbraw/zinc/29/01/61/572290161.db2.gz NOVIPDLEZYHQQW-ZMFRSBBQSA-N -1 0 537.601 5.581 40 30 KKEBRM C=CCOc1ccc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1Br ZINC000408633874 572290714 /nfs/dbraw/zinc/29/07/14/572290714.db2.gz QDTYCBHESBZCMK-OCKHKDLRSA-N -1 0 518.389 5.034 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634274 572291197 /nfs/dbraw/zinc/29/11/97/572291197.db2.gz SZMISUYZPQBYAN-ZMFRSBBQSA-N -1 0 542.617 5.651 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccccc3OCc3ccccc3C#N)C(=O)[O-])n[nH]2)c1 ZINC000408634860 572291954 /nfs/dbraw/zinc/29/19/54/572291954.db2.gz XIAHOTVHSPHAIV-CFRMEGHHSA-N -1 0 514.563 5.157 40 30 KKEBRM CCn1c(S/C(=C\c2ccccc2OCc2ccccc2C#N)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634874 572291964 /nfs/dbraw/zinc/29/19/64/572291964.db2.gz XNAPHWBMVWAARH-IWIPYMOSSA-N -1 0 517.010 6.287 40 30 KKEBRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254741655 572303340 /nfs/dbraw/zinc/30/33/40/572303340.db2.gz FZFTUTOQKMIXAT-VFBNTATHSA-N -1 0 735.827 5.429 40 30 KKEBRM O=C([O-])c1cccc(Cn2c(=O)sc(/C=N/NC(c3ccccc3)(c3ccccc3)c3ccccc3)c2Cl)c1 ZINC000100870645 1069698884 /nfs/dbraw/zinc/69/88/84/1069698884.db2.gz IFDFEUCOISOGDZ-FMFFXOCNSA-N -1 0 554.071 6.225 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccccc4C(=O)NCc4ccccc4)c3=O)n2)cc1 ZINC000101502016 1069700152 /nfs/dbraw/zinc/70/01/52/1069700152.db2.gz HBOMVXNUMYHKME-ONQIKCEGSA-N -1 0 586.677 5.968 40 30 KKEBRM O=C([O-])[C@](F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000103542006 1069711186 /nfs/dbraw/zinc/71/11/86/1069711186.db2.gz ZBFKFORIBRGANM-REOHCLBHSA-N -1 0 530.077 5.647 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OCC ZINC000106897410 1069715492 /nfs/dbraw/zinc/71/54/92/1069715492.db2.gz RNNNDZXEZOTXEM-NMWGTECJSA-N -1 0 507.718 6.671 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408767343 1069869558 /nfs/dbraw/zinc/86/95/58/1069869558.db2.gz ZMORMQWIPFWKRG-FSJBWODESA-N -1 0 508.983 5.826 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])sc2c1CCCC2 ZINC000408770832 1069870321 /nfs/dbraw/zinc/87/03/21/1069870321.db2.gz AIMWHKPAACJZSC-ZMFRSBBQSA-N -1 0 514.401 5.684 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(Br)cc(I)c2[O-])sc2c1CCCC2 ZINC000408769094 1069874623 /nfs/dbraw/zinc/87/46/23/1069874623.db2.gz NQXFOZPYNFJOHU-WKIKZPBSSA-N -1 0 595.300 6.380 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408775515 1069893309 /nfs/dbraw/zinc/89/33/09/1069893309.db2.gz HSXOIGOFIUKKIX-WSDLNYQXSA-N -1 0 571.844 6.629 40 30 KKEBRM Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S1 ZINC000408780110 1069902212 /nfs/dbraw/zinc/90/22/12/1069902212.db2.gz SJUPQIILPJJJJP-GRSHGNNSSA-N -1 0 517.788 6.261 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408782480 1069907562 /nfs/dbraw/zinc/90/75/62/1069907562.db2.gz JBTVTBNYCWLOQZ-YDZHTSKRSA-N -1 0 585.871 7.019 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408782834 1069908225 /nfs/dbraw/zinc/90/82/25/1069908225.db2.gz JYZIBMRZUNHEMF-UCQKPKSFSA-N -1 0 600.434 5.859 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792688 1069925839 /nfs/dbraw/zinc/92/58/39/1069925839.db2.gz BYSTZHJTNLJZHJ-SILRWXEESA-N -1 0 602.304 6.723 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000408797595 1069932272 /nfs/dbraw/zinc/93/22/72/1069932272.db2.gz SGALCZUIDYQHAR-DEOSSOPVSA-N -1 0 560.400 5.468 40 30 KKEBRM C=CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408819937 1069992831 /nfs/dbraw/zinc/99/28/31/1069992831.db2.gz ZKXRUMSLPXKIOC-XQNSMLJCSA-N -1 0 533.378 5.259 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408830222 1070017277 /nfs/dbraw/zinc/01/72/77/1070017277.db2.gz OUQWDRXMFBBZCS-QKWLYDBSSA-N -1 0 716.632 7.404 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408829472 1070016002 /nfs/dbraw/zinc/01/60/02/1070016002.db2.gz OCBQMEQBIVWRQT-OEAKJJBVSA-N -1 0 575.415 5.024 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408844197 1070049847 /nfs/dbraw/zinc/04/98/47/1070049847.db2.gz VIWPWDXOYCDPNO-FZKWRIDDSA-N -1 0 554.668 6.593 40 30 KKEBRM CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000408847863 1070056455 /nfs/dbraw/zinc/05/64/55/1070056455.db2.gz VNIYWVPYWROFCE-KRWDZBQOSA-N -1 0 519.189 5.049 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408852462 1070059543 /nfs/dbraw/zinc/05/95/43/1070059543.db2.gz LDPOKYFMDMCNKM-YDZHTSKRSA-N -1 0 649.494 5.949 40 30 KKEBRM Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000408852255 1070059034 /nfs/dbraw/zinc/05/90/34/1070059034.db2.gz QYOADBULKCQEKW-ACXHZZMFSA-N -1 0 527.646 6.750 40 30 KKEBRM O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Br)c([O-])c(Br)c1)CCCC2 ZINC000408852142 1070059099 /nfs/dbraw/zinc/05/90/99/1070059099.db2.gz IQDOPWFHSCUKIG-MRUKODCESA-N -1 0 538.261 6.131 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408858751 1070069895 /nfs/dbraw/zinc/06/98/95/1070069895.db2.gz LQRXBZDAYZNILI-HPWCONDSSA-N -1 0 563.445 5.997 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408855894 1070075186 /nfs/dbraw/zinc/07/51/86/1070075186.db2.gz GKTLNKGRUPUUCD-MFKUBSTISA-N -1 0 514.553 5.425 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000408859313 1070076058 /nfs/dbraw/zinc/07/60/58/1070076058.db2.gz VOHYMEMHEHDWMP-OFTKFCIUSA-N -1 0 528.630 5.560 40 30 KKEBRM C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccccc1 ZINC000408907846 1070191790 /nfs/dbraw/zinc/19/17/90/1070191790.db2.gz PGJKHWWXTOQRFR-AWTDNBMVSA-N -1 0 558.295 7.282 40 30 KKEBRM CCCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912932 1070195109 /nfs/dbraw/zinc/19/51/09/1070195109.db2.gz OROUMONHFNHHEB-SRVANGTOSA-N -1 0 547.471 6.024 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)S/C2=N/c2ccccc2)cc1 ZINC000408916964 1070206133 /nfs/dbraw/zinc/20/61/33/1070206133.db2.gz JRLQJTPKRRDYNT-FZVXQAMESA-N -1 0 559.441 7.212 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])S/C2=N/c2ccccc2)cc1 ZINC000408917059 1070206617 /nfs/dbraw/zinc/20/66/17/1070206617.db2.gz LQPJVONYDOPQOB-RSOZMKCKSA-N -1 0 506.496 5.021 40 30 KKEBRM CCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000408917291 1070207618 /nfs/dbraw/zinc/20/76/18/1070207618.db2.gz QKRIMNJYLQDAAC-BDMQEEMLSA-N -1 0 537.435 6.350 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1O ZINC000408918077 1070230065 /nfs/dbraw/zinc/23/00/65/1070230065.db2.gz FUHVBYOCUUKXAO-HUEHBEQGSA-N -1 0 539.407 5.666 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1I ZINC000408918098 1070230779 /nfs/dbraw/zinc/23/07/79/1070230779.db2.gz GCKWILIHJRGHLK-VCBZUZRTSA-N -1 0 639.265 5.914 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931632 1070244131 /nfs/dbraw/zinc/24/41/31/1070244131.db2.gz OEMCNKOLNXRWIH-PIHVTBQGSA-N -1 0 532.361 6.402 40 30 KKEBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(OC)cc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c2C)c1 ZINC000408931405 1070263350 /nfs/dbraw/zinc/26/33/50/1070263350.db2.gz LFXCHEQYEHLQAR-SOLNTCGZSA-N -1 0 595.677 6.392 40 30 KKEBRM COC(=O)COc1c(Br)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1Br ZINC000408930850 1070261162 /nfs/dbraw/zinc/26/11/62/1070261162.db2.gz CVNBYZNSSIABLI-YHGFAHGMSA-N -1 0 598.269 5.004 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408934158 1070268612 /nfs/dbraw/zinc/26/86/12/1070268612.db2.gz LKOAQEZOFGEIBK-ZHELPIKKSA-N -1 0 585.594 6.374 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408932573 1070280407 /nfs/dbraw/zinc/28/04/07/1070280407.db2.gz XOHVQVVCMDPAJY-HRKJWMQXSA-N -1 0 541.000 6.307 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408940508 1070286514 /nfs/dbraw/zinc/28/65/14/1070286514.db2.gz UVCATAWNSJXVOU-XSDLCXNJSA-N -1 0 596.319 8.120 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408941509 1070289267 /nfs/dbraw/zinc/28/92/67/1070289267.db2.gz VXXFSOQKKGVNAY-YRDVNVGOSA-N -1 0 601.906 6.931 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408963414 1070328520 /nfs/dbraw/zinc/32/85/20/1070328520.db2.gz NWPBKDJZZUENEK-OVCLIPMQSA-N -1 0 546.226 5.510 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000408962124 1070327463 /nfs/dbraw/zinc/32/74/63/1070327463.db2.gz GVHZVZRQYTZSEX-KXJGCGDTSA-N -1 0 514.563 5.637 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409044863 1070452284 /nfs/dbraw/zinc/45/22/84/1070452284.db2.gz DTZYKKOEMZRQMD-UHFFFAOYSA-N -1 0 632.584 8.496 40 30 KKEBRM CCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OCC ZINC000409060395 1070473680 /nfs/dbraw/zinc/47/36/80/1070473680.db2.gz RMRMPJFFVGQREB-GQKMNLJRSA-N -1 0 533.444 5.959 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409067480 1070484072 /nfs/dbraw/zinc/48/40/72/1070484072.db2.gz QYQHRNBVPHJVMA-UHFFFAOYSA-N -1 0 642.170 6.195 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409067205 1070484132 /nfs/dbraw/zinc/48/41/32/1070484132.db2.gz OGLZNYCJWRCIPQ-UHFFFAOYSA-N -1 0 719.898 8.604 40 30 KKEBRM C#CCOc1c(CC=C)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000409068532 1070485379 /nfs/dbraw/zinc/48/53/79/1070485379.db2.gz UDIZRZKJPCJGQM-UHFFFAOYSA-N -1 0 559.703 5.986 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409068552 1070485406 /nfs/dbraw/zinc/48/54/06/1070485406.db2.gz HCDGWKKVYVYQRX-UHFFFAOYSA-N -1 0 600.487 5.023 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409068928 1070485988 /nfs/dbraw/zinc/48/59/88/1070485988.db2.gz URDLKONRRIJASX-UHFFFAOYSA-N -1 0 502.991 5.602 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076029 1070489918 /nfs/dbraw/zinc/48/99/18/1070489918.db2.gz WSLSUPDPSPIPDP-UHFFFAOYSA-N -1 0 521.997 5.717 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409069428 1070493878 /nfs/dbraw/zinc/49/38/78/1070493878.db2.gz IYBITFJBWSSJAS-UHFFFAOYSA-N -1 0 578.503 6.700 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409070043 1070495569 /nfs/dbraw/zinc/49/55/69/1070495569.db2.gz ZIZDQQQELFHZHK-UHFFFAOYSA-N -1 0 700.648 6.776 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409071078 1070497177 /nfs/dbraw/zinc/49/71/77/1070497177.db2.gz NDEOMFQJMLPTFQ-UHFFFAOYSA-N -1 0 703.443 8.090 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409071784 1070497755 /nfs/dbraw/zinc/49/77/55/1070497755.db2.gz LKZLLIPOAQVJOM-UHFFFAOYSA-N -1 0 620.584 7.822 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C2=C1CCCC2=O ZINC000409071564 1070497770 /nfs/dbraw/zinc/49/77/70/1070497770.db2.gz HGQKTIMMXXWJAO-UHFFFAOYSA-N -1 0 663.790 7.332 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1 ZINC000409072069 1070498411 /nfs/dbraw/zinc/49/84/11/1070498411.db2.gz AQGLRFFROKFYDT-UHFFFAOYSA-N -1 0 533.596 5.692 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409072154 1070498423 /nfs/dbraw/zinc/49/84/23/1070498423.db2.gz LYGJRHSMSLRTNP-UHFFFAOYSA-N -1 0 624.177 8.503 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409073071 1070499082 /nfs/dbraw/zinc/49/90/82/1070499082.db2.gz ORTBBUOZOFMSHX-UHFFFAOYSA-N -1 0 589.732 7.850 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3/S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)cc2Cl)cc1 ZINC000409082660 1070507129 /nfs/dbraw/zinc/50/71/29/1070507129.db2.gz SFTHRHXXCVXKFQ-ZXDCPGEQSA-N -1 0 569.082 7.290 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409093327 1070517424 /nfs/dbraw/zinc/51/74/24/1070517424.db2.gz YXGWIBGHBSHDOO-LJKFRJGNSA-N -1 0 595.548 9.167 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000409127314 1070554744 /nfs/dbraw/zinc/55/47/44/1070554744.db2.gz HGNOUSJNNVRDRA-UDWIEESQSA-N -1 0 579.412 5.118 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409202950 1070627891 /nfs/dbraw/zinc/62/78/91/1070627891.db2.gz VKDMRMDZDRTNFU-KTZUFFFVSA-N -1 0 608.498 6.056 40 30 KKEBRM CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409211660 1070635819 /nfs/dbraw/zinc/63/58/19/1070635819.db2.gz NOVHRMAKQFIGQM-UVHMKAGCSA-N -1 0 549.792 6.680 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409281299 1070730753 /nfs/dbraw/zinc/73/07/53/1070730753.db2.gz LZYJDDHWLUUSKX-KRWDZBQOSA-N -1 0 642.934 6.663 40 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40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409294645 1070750938 /nfs/dbraw/zinc/75/09/38/1070750938.db2.gz BSBWINMSQSXRTH-UHFFFAOYSA-N -1 0 594.421 6.732 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409294797 1070751444 /nfs/dbraw/zinc/75/14/44/1070751444.db2.gz BZFFKVJPEVNXCE-INIZCTEOSA-N -1 0 653.429 5.556 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288213 1070757272 /nfs/dbraw/zinc/75/72/72/1070757272.db2.gz DVWQHSPGMVRUTO-UHFFFAOYSA-N -1 0 678.539 7.859 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br ZINC000409289901 1070761229 /nfs/dbraw/zinc/76/12/29/1070761229.db2.gz PQMUNZKMLYSDHJ-UHFFFAOYSA-N -1 0 563.246 5.315 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000409290756 1070763026 /nfs/dbraw/zinc/76/30/26/1070763026.db2.gz ATRBWXPNOMIQJT-UHFFFAOYSA-N -1 0 573.628 6.576 40 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690.332 6.274 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)cc21 ZINC000409308113 1070787028 /nfs/dbraw/zinc/78/70/28/1070787028.db2.gz XIBVBKBIRBLMOB-UHFFFAOYSA-N -1 0 701.473 6.591 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409305042 1070798612 /nfs/dbraw/zinc/79/86/12/1070798612.db2.gz LPAYZBDKDVAXMO-KRWDZBQOSA-N -1 0 612.908 6.654 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409305854 1070801429 /nfs/dbraw/zinc/80/14/29/1070801429.db2.gz NREAOFWTEDBSGV-UHFFFAOYSA-N -1 0 591.296 5.099 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000409320367 1070808071 /nfs/dbraw/zinc/80/80/71/1070808071.db2.gz AONSGPICYJAVDZ-NEPJUHHUSA-N -1 0 596.232 5.077 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409323127 1070812610 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/nfs/dbraw/zinc/90/26/86/1070902686.db2.gz JFWZLIBZSIMHJG-MFMXSQSVSA-N -1 0 561.729 6.516 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)C(=O)N1C1CCCCC1 ZINC000408910031 1070971511 /nfs/dbraw/zinc/97/15/11/1070971511.db2.gz ITZXZCPQCFRJEX-KPBLUWHNSA-N -1 0 620.509 6.262 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408908998 1070980209 /nfs/dbraw/zinc/98/02/09/1070980209.db2.gz BJGXFSWHMLFYFX-CCBCPFMQSA-N -1 0 533.444 5.632 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408908290 1070985038 /nfs/dbraw/zinc/98/50/38/1070985038.db2.gz BLEQVMLGJKPGCM-ZVHZXABRSA-N -1 0 500.526 5.117 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=NNc3ccc([N+](=O)[O-])cc3)cc2I)cc1 ZINC000408908132 1070986525 /nfs/dbraw/zinc/98/65/25/1070986525.db2.gz BCAPOFYZVKNEAC-MYKKPKGFSA-N -1 0 596.175 5.685 40 30 KKEBRM O=C1/C(=C\c2cc(Br)cc(Br)c2[O-])S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408907900 1070987785 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C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](c2cccc(F)c2)O[C@@H]1c1cccc(OC)c1OCC(=O)[O-] ZINC000585267343 1071008480 /nfs/dbraw/zinc/00/84/80/1071008480.db2.gz KSHXDWOBWWEKDR-KSZYUSJVSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2ccc(F)cc2)O[C@@H]1c1cccc(OC)c1OCC(=O)[O-] ZINC000585267547 1071008572 /nfs/dbraw/zinc/00/85/72/1071008572.db2.gz PKWHMHGOPYZFDD-SFUJYVBYSA-N -1 0 510.989 7.130 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408915255 1071008773 /nfs/dbraw/zinc/00/87/73/1071008773.db2.gz XMOUEMKUKODOQV-LTMWAVIFSA-N -1 0 519.417 5.242 40 30 KKEBRM CCCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914343 1071014276 /nfs/dbraw/zinc/01/42/76/1071014276.db2.gz UOVNRBCLBUUMLC-GQKMNLJRSA-N -1 0 533.444 5.634 40 30 KKEBRM CCCCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914463 1071013092 /nfs/dbraw/zinc/01/30/92/1071013092.db2.gz XYNJUYYUIZQCQS-NVEQVSHNSA-N -1 0 618.278 6.314 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)cc(Br)c3[O-])C(=O)N2CC(C)C)cc1 ZINC000408913837 1071015442 /nfs/dbraw/zinc/01/54/42/1071015442.db2.gz RRBVMTNJBUYAOH-VWDJWFLBSA-N -1 0 524.278 6.486 40 30 KKEBRM CC[C@H](C)N1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911793 1071058831 /nfs/dbraw/zinc/05/88/31/1071058831.db2.gz OMVZRLGUSOOKEJ-BTXPFYPZSA-N -1 0 580.444 5.474 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408919189 1071121395 /nfs/dbraw/zinc/12/13/95/1071121395.db2.gz UOUAHQZXTXSMMC-WQCVWPLISA-N -1 0 629.134 7.829 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408919605 1071119324 /nfs/dbraw/zinc/11/93/24/1071119324.db2.gz YVXQCMJPTJSGGN-UKSGTAMRSA-N -1 0 737.547 6.959 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408918236 1071137720 /nfs/dbraw/zinc/13/77/20/1071137720.db2.gz HVPILOIKZVTLSM-WNXTVMGOSA-N -1 0 672.557 6.978 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930765 1071157628 /nfs/dbraw/zinc/15/76/28/1071157628.db2.gz BTMMKFVKDDPKDD-DWOPZNCISA-N -1 0 544.032 6.642 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408931195 1071153785 /nfs/dbraw/zinc/15/37/85/1071153785.db2.gz IHPQUWOTNGXSMJ-ZEZBVESGSA-N -1 0 538.467 6.405 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccccc1 ZINC000408930464 1071160291 /nfs/dbraw/zinc/16/02/91/1071160291.db2.gz XLLGATUVTUXANR-QWZJDEPFSA-N -1 0 581.488 6.367 40 30 KKEBRM CN1C(=O)/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408928717 1071178764 /nfs/dbraw/zinc/17/87/64/1071178764.db2.gz DWEZCYLUTYLSHJ-IVUPGEOZSA-N -1 0 552.656 5.458 40 30 KKEBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(OC)cc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)c2C)c(C)c1 ZINC000408935149 1071226108 /nfs/dbraw/zinc/22/61/08/1071226108.db2.gz MROPQOKOQSUMMW-XHSXDKLNSA-N -1 0 609.704 6.700 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708226 1071242729 /nfs/dbraw/zinc/24/27/29/1071242729.db2.gz CALMSGNOAWSCLA-LFVJCYFKSA-N -1 0 513.681 6.847 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708681 1071244082 /nfs/dbraw/zinc/24/40/82/1071244082.db2.gz DKMYDIABRQCUJB-WMWHPZEKSA-N -1 0 529.680 6.633 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408933167 1071245617 /nfs/dbraw/zinc/24/56/17/1071245617.db2.gz IAYCXODFMLBOCU-AJXJXHQASA-N -1 0 650.378 7.974 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932905 1071245752 /nfs/dbraw/zinc/24/57/52/1071245752.db2.gz FPYDNXABRBGCRG-WGQHKYHDSA-N -1 0 777.318 9.608 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408932603 1071251779 /nfs/dbraw/zinc/25/17/79/1071251779.db2.gz XZNQINFVHWBMGB-CQUHNDBISA-N -1 0 547.589 5.813 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933034 1071247581 /nfs/dbraw/zinc/24/75/81/1071247581.db2.gz GVAZWYROWQPKSI-YSVPSOAVSA-N -1 0 656.591 8.816 40 30 KKEBRM Cc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408932187 1071253069 /nfs/dbraw/zinc/25/30/69/1071253069.db2.gz BNDHOWJKURVRQP-YUENMINYSA-N -1 0 514.434 6.641 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932180 1071253088 /nfs/dbraw/zinc/25/30/88/1071253088.db2.gz UQROLONDFUQGND-PEJTXYKLSA-N -1 0 603.494 7.529 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3cc(Br)c(OC)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931978 1071256036 /nfs/dbraw/zinc/25/60/36/1071256036.db2.gz AKIXIEDUHQQTJC-SYCUJBBPSA-N -1 0 583.460 5.977 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931981 1071256064 /nfs/dbraw/zinc/25/60/64/1071256064.db2.gz ALYUGXXPRSTYFZ-GNMBIEKRSA-N -1 0 679.592 8.692 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931742 1071256669 /nfs/dbraw/zinc/25/66/69/1071256669.db2.gz PPXIYAAJYMINEB-VOYMCNKXSA-N -1 0 834.324 8.906 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OC ZINC000408931766 1071256732 /nfs/dbraw/zinc/25/67/32/1071256732.db2.gz QASJVEKNXQXIJP-OEYHXBIYSA-N -1 0 505.390 5.097 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931805 1071257220 /nfs/dbraw/zinc/25/72/20/1071257220.db2.gz QNQPXEDFQAWBRO-SOYCWMIESA-N -1 0 503.536 5.414 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408943293 1071292645 /nfs/dbraw/zinc/29/26/45/1071292645.db2.gz YTKQCHBBEPLIGV-XRRXZQNGSA-N -1 0 536.009 5.598 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1 ZINC000408943178 1071293787 /nfs/dbraw/zinc/29/37/87/1071293787.db2.gz YJRQTAARULQLQN-BVRLNOCPSA-N -1 0 532.618 5.995 40 30 KKEBRM COC(=O)COc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000408939847 1071321050 /nfs/dbraw/zinc/32/10/50/1071321050.db2.gz UNLIILQISYHWPU-BTPTXQQQSA-N -1 0 601.464 6.056 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408939811 1071321064 /nfs/dbraw/zinc/32/10/64/1071321064.db2.gz UKSQYBRNMFZRBB-ZKXZOWLLSA-N -1 0 573.627 6.151 40 30 KKEBRM CC[C@H](C)Oc1c(Br)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408938135 1071335257 /nfs/dbraw/zinc/33/52/57/1071335257.db2.gz RVAOYDWQDLNRMN-NMOUGFBSSA-N -1 0 625.541 7.146 40 30 KKEBRM N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408949539 1071361073 /nfs/dbraw/zinc/36/10/73/1071361073.db2.gz IIGCUEWXNRQYKB-KVSWJAHQSA-N -1 0 809.442 7.481 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408955675 1071383514 /nfs/dbraw/zinc/38/35/14/1071383514.db2.gz YKDFOMZWBVBSLL-OVVQPSECSA-N -1 0 558.656 6.381 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408693941 1071389563 /nfs/dbraw/zinc/38/95/63/1071389563.db2.gz CKTRJODBCFBOGT-UDWIEESQSA-N -1 0 529.420 5.714 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967095 1071401780 /nfs/dbraw/zinc/40/17/80/1071401780.db2.gz PUCCZTYRPJPLRD-NCOATLISSA-N -1 0 551.624 6.172 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408963001 1071403174 /nfs/dbraw/zinc/40/31/74/1071403174.db2.gz XEEIPUMWQQIFBI-CIAFOILYSA-N -1 0 622.324 7.323 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408966604 1071410111 /nfs/dbraw/zinc/41/01/11/1071410111.db2.gz PLMKXGMTKBXVNA-LPYMAVHISA-N -1 0 508.983 5.826 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964042 1071419875 /nfs/dbraw/zinc/41/98/75/1071419875.db2.gz BHEKRNZFZYNWPA-IHAFXFNKSA-N -1 0 587.698 5.299 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408963153 1071423762 /nfs/dbraw/zinc/42/37/62/1071423762.db2.gz XKYOJLZBQWBYSP-OEAKJJBVSA-N -1 0 614.461 6.167 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408962035 1071428330 /nfs/dbraw/zinc/42/83/30/1071428330.db2.gz FVLQBPCKTBVHBD-OEAKJJBVSA-N -1 0 583.460 6.025 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000408961671 1071429038 /nfs/dbraw/zinc/42/90/38/1071429038.db2.gz UMJWOJDMXIGUGU-GUVGJHGXSA-N -1 0 603.700 7.300 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000408961197 1071429747 /nfs/dbraw/zinc/42/97/47/1071429747.db2.gz LFWRWOHFAHCGCC-VGOFMYFVSA-N -1 0 532.199 5.120 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=Nc1ccc(Br)cc1 ZINC000408960773 1071431743 /nfs/dbraw/zinc/43/17/43/1071431743.db2.gz IURRIXDCCFEKRP-AFKZWVQSSA-N -1 0 511.397 6.340 40 30 KKEBRM Cc1cc(Br)c(Nc2nc(NN=Cc3ccc(-c4ccccc4C(=O)[O-])o3)nc(N3CCOCC3)n2)cc1Cl ZINC000408974184 1071446427 /nfs/dbraw/zinc/44/64/27/1071446427.db2.gz WPKQQNZRNWZHNW-IPPBACCNSA-N -1 0 612.872 5.002 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(N4CCCCC4)cc3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408968293 1071462065 /nfs/dbraw/zinc/46/20/65/1071462065.db2.gz XYXMJFRCCYQEAL-MRYWEKRUSA-N -1 0 557.672 6.197 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408968501 1071462081 /nfs/dbraw/zinc/46/20/81/1071462081.db2.gz ZTADSKLTHPWUOU-LEIWJKCUSA-N -1 0 553.434 5.969 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc4ccccc4c3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967887 1071465050 /nfs/dbraw/zinc/46/50/50/1071465050.db2.gz VOFNCFIFCJXPLY-FEKQDVKNSA-N -1 0 524.598 6.359 40 30 KKEBRM C[C@H]1CCCCN1c1nc(NN=Cc2cc(Br)cc(Br)c2[O-])nc(Nc2ccccc2F)n1 ZINC000408976424 1071470977 /nfs/dbraw/zinc/47/09/77/1071470977.db2.gz FQCFIFVCTVBODX-UQJRAWQTSA-N -1 0 579.272 5.232 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408987103 1071482410 /nfs/dbraw/zinc/48/24/10/1071482410.db2.gz AHTIUIXRRUTFSV-DYWATDOTSA-N -1 0 685.765 6.625 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)C2=O)cc1 ZINC000408986171 1071493934 /nfs/dbraw/zinc/49/39/34/1071493934.db2.gz ZZITWWWEMINBSZ-YKQZZPSBSA-N -1 0 544.611 5.774 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1 ZINC000408984944 1071504572 /nfs/dbraw/zinc/50/45/72/1071504572.db2.gz UOGQWPLIMPWCQO-UUYOSTAYSA-N -1 0 560.404 5.137 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000408722964 1071530459 /nfs/dbraw/zinc/53/04/59/1071530459.db2.gz OVFHXIVSZBJCNZ-WUXMJOGZSA-N -1 0 591.108 5.915 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1 ZINC000408981904 1071530709 /nfs/dbraw/zinc/53/07/09/1071530709.db2.gz DOJQJZANNPFWOS-UUYOSTAYSA-N -1 0 515.953 5.028 40 30 KKEBRM COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1O ZINC000408721256 1071539535 /nfs/dbraw/zinc/53/95/35/1071539535.db2.gz NQXACSXONFNQKB-XODNFHPESA-N -1 0 532.350 6.187 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Br)cc(Br)c3[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000408727295 1071549512 /nfs/dbraw/zinc/54/95/12/1071549512.db2.gz ZNZRISDGHDQJNI-UILYKIRISA-N -1 0 558.295 7.343 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408993225 1071566463 /nfs/dbraw/zinc/56/64/63/1071566463.db2.gz VULNKNUKJBDCON-UCQKPKSFSA-N -1 0 548.998 6.160 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408992547 1071571666 /nfs/dbraw/zinc/57/16/66/1071571666.db2.gz UBZFQRANWVGGHO-COEJQBHMSA-N -1 0 560.650 6.775 40 30 KKEBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/SC(=Nc6ccc(Cl)c(C(=O)[O-])c6)NC5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408992034 1071574732 /nfs/dbraw/zinc/57/47/32/1071574732.db2.gz QDADPAYCMXMOJC-WKIKZPBSSA-N -1 0 702.195 8.160 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408990766 1071586383 /nfs/dbraw/zinc/58/63/83/1071586383.db2.gz LVHINOZYCXWGBL-NDENLUEZSA-N -1 0 534.600 5.946 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408988769 1071602534 /nfs/dbraw/zinc/60/25/34/1071602534.db2.gz JGBYZQMESDWFEQ-MYYYXRDXSA-N -1 0 545.035 6.329 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1Cl ZINC000408987902 1071609897 /nfs/dbraw/zinc/60/98/97/1071609897.db2.gz PIVNVPGRQMTNQI-JMIUGGIZSA-N -1 0 550.796 5.528 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408987585 1071611994 /nfs/dbraw/zinc/61/19/94/1071611994.db2.gz BIILFBPFSLKJEW-UKWGHVSLSA-N -1 0 579.597 5.854 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1I ZINC000408742783 1071620076 /nfs/dbraw/zinc/62/00/76/1071620076.db2.gz STIABIAKDZAVRD-RIYZIHGNSA-N -1 0 709.141 5.363 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409004520 1071633139 /nfs/dbraw/zinc/63/31/39/1071633139.db2.gz XKMXFPALGRHWKS-JLPGSUDCSA-N -1 0 624.509 6.669 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)o1 ZINC000409001958 1071643463 /nfs/dbraw/zinc/64/34/63/1071643463.db2.gz RHGVCYOEKMIXDI-FPOHZDDLSA-N -1 0 508.599 6.626 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)S2)cc(C)c1Br ZINC000408755008 1071647686 /nfs/dbraw/zinc/64/76/86/1071647686.db2.gz PLAVLTZDYCUOBW-CHHVJCJISA-N -1 0 666.129 5.788 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408753765 1071655273 /nfs/dbraw/zinc/65/52/73/1071655273.db2.gz HXBXNZMUFPJLEX-OEAKJJBVSA-N -1 0 595.877 6.393 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)cc2I)cc1 ZINC000408997994 1071661705 /nfs/dbraw/zinc/66/17/05/1071661705.db2.gz POAYNMVGJDXGFJ-GRSHGNNSSA-N -1 0 751.167 7.371 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409016748 1071665952 /nfs/dbraw/zinc/66/59/52/1071665952.db2.gz IFOXDOPLPXTNHP-AEUUOICLSA-N -1 0 680.564 7.198 40 30 KKEBRM O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408749918 1071681576 /nfs/dbraw/zinc/68/15/76/1071681576.db2.gz UYIXCBYDAPGBMS-AWNIVKPZSA-N -1 0 580.039 5.413 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=Nc2ccc(Br)c(Cl)c2)N(C)C1=O ZINC000409012076 1071685078 /nfs/dbraw/zinc/68/50/78/1071685078.db2.gz IYQAAWMSGQUIAZ-HBANHGJKSA-N -1 0 503.809 5.218 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cccn3-c3cccc(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000409010775 1071690536 /nfs/dbraw/zinc/69/05/36/1071690536.db2.gz LEMUGTAZJFABGE-VBGBYYPASA-N -1 0 588.483 6.751 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408760542 1071696313 /nfs/dbraw/zinc/69/63/13/1071696313.db2.gz ALMHMYVJXYDPNG-OEAKJJBVSA-N -1 0 579.422 5.879 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408757905 1071709205 /nfs/dbraw/zinc/70/92/05/1071709205.db2.gz DONQCZDYGOJPPN-UCQKPKSFSA-N -1 0 523.010 6.080 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)ccc1Br ZINC000408757530 1071712467 /nfs/dbraw/zinc/71/24/67/1071712467.db2.gz ZGOVKVLRSRJYPR-RGVLZGJSSA-N -1 0 595.247 5.637 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408757330 1071713449 /nfs/dbraw/zinc/71/34/49/1071713449.db2.gz YPJRJQBSVRQANJ-LPYMAVHISA-N -1 0 560.404 5.273 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000408766921 1071716842 /nfs/dbraw/zinc/71/68/42/1071716842.db2.gz WYDFVELPOJXWEC-MTJSOVHGSA-N -1 0 524.440 6.063 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408763808 1071730958 /nfs/dbraw/zinc/73/09/58/1071730958.db2.gz UXOFDKRYJBHDJB-UCQKPKSFSA-N -1 0 584.435 6.022 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409018604 1071731723 /nfs/dbraw/zinc/73/17/23/1071731723.db2.gz HUYIIJSQQBMHOP-UILYKIRISA-N -1 0 545.842 6.993 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408762966 1071733671 /nfs/dbraw/zinc/73/36/71/1071733671.db2.gz MEWYVCGCUVKXKP-OEAKJJBVSA-N -1 0 624.329 6.802 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)S2)cc(C)c1Br ZINC000408761429 1071739833 /nfs/dbraw/zinc/73/98/33/1071739833.db2.gz FFYRIVGLBUEFCN-CHHVJCJISA-N -1 0 530.227 5.728 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408776884 1071747163 /nfs/dbraw/zinc/74/71/63/1071747163.db2.gz RQTFNJKKGHAEJN-WGOQTCKBSA-N -1 0 601.884 7.230 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409280682 1071762114 /nfs/dbraw/zinc/76/21/14/1071762114.db2.gz KPLJOAXNKQANJH-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409280766 1071763612 /nfs/dbraw/zinc/76/36/12/1071763612.db2.gz CAOGJZFDIBAYHP-GOSISDBHSA-N -1 0 544.564 5.146 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409280566 1071765023 /nfs/dbraw/zinc/76/50/23/1071765023.db2.gz LLZBYRUNLIUMET-UHFFFAOYSA-N -1 0 615.706 5.617 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408772574 1071773465 /nfs/dbraw/zinc/77/34/65/1071773465.db2.gz DADIHZYBLZBFEI-ZVHZXABRSA-N -1 0 563.423 6.179 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408772285 1071775603 /nfs/dbraw/zinc/77/56/03/1071775603.db2.gz NPXRWRXWGWRUDU-PCLIKHOPSA-N -1 0 511.534 5.186 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408771823 1071778273 /nfs/dbraw/zinc/77/82/73/1071778273.db2.gz IILKDIDCURZRHR-WPWMEQJKSA-N -1 0 553.014 6.476 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408770923 1071783944 /nfs/dbraw/zinc/78/39/44/1071783944.db2.gz CKLTXJCOZIYUPC-MTDXEUNCSA-N -1 0 567.041 6.866 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409279454 1071786219 /nfs/dbraw/zinc/78/62/19/1071786219.db2.gz HRCZLYCRGQJWMI-UHFFFAOYSA-N -1 0 564.982 5.411 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408769672 1071792539 /nfs/dbraw/zinc/79/25/39/1071792539.db2.gz YYAZORKKTSDQSR-PCLIKHOPSA-N -1 0 545.035 6.329 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409278969 1071792747 /nfs/dbraw/zinc/79/27/47/1071792747.db2.gz FYMVSLSBLCJNDN-UHFFFAOYSA-N -1 0 668.500 7.139 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409279037 1071793684 /nfs/dbraw/zinc/79/36/84/1071793684.db2.gz HOXZXVYVTYYIOA-CQSZACIVSA-N -1 0 645.293 7.012 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408769272 1071793764 /nfs/dbraw/zinc/79/37/64/1071793764.db2.gz QHDMMAMEKMUPGO-PXLXIMEGSA-N -1 0 507.373 5.967 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409278859 1071796017 /nfs/dbraw/zinc/79/60/17/1071796017.db2.gz FRDQXDAMYINCFO-UHFFFAOYSA-N -1 0 643.099 8.030 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409278557 1071800577 /nfs/dbraw/zinc/80/05/77/1071800577.db2.gz GBQZWKNLUXUMGG-UHFFFAOYSA-N -1 0 585.252 5.643 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409278587 1071801077 /nfs/dbraw/zinc/80/10/77/1071801077.db2.gz DVQKXDXCXBHOEK-UHFFFAOYSA-N -1 0 595.453 6.869 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409278431 1071803429 /nfs/dbraw/zinc/80/34/29/1071803429.db2.gz DZZBDJWYRZLFAP-LLVKDONJSA-N -1 0 615.706 5.615 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409278452 1071803883 /nfs/dbraw/zinc/80/38/83/1071803883.db2.gz FLNFOXJHIUKQTL-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)o1 ZINC000409278188 1071809264 /nfs/dbraw/zinc/80/92/64/1071809264.db2.gz DATBWUGSUOKLIR-UHFFFAOYSA-N -1 0 508.372 5.605 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409278010 1071811757 /nfs/dbraw/zinc/81/17/57/1071811757.db2.gz CKQNDJJVYJQZGO-UHFFFAOYSA-N -1 0 621.690 6.681 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc(Cl)c([O-])c([N+](=O)[O-])c1 ZINC000409277383 1071821796 /nfs/dbraw/zinc/82/17/96/1071821796.db2.gz AWWVTGVPFNIUSY-UHFFFAOYSA-N -1 0 539.729 5.722 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408781104 1071820030 /nfs/dbraw/zinc/82/00/30/1071820030.db2.gz ADVOLAGJPLIXEC-KEBDBYFISA-N -1 0 550.796 5.528 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409293888 1071826798 /nfs/dbraw/zinc/82/67/98/1071826798.db2.gz MESOSVVFHUNYEF-AWEZNQCLSA-N -1 0 641.272 6.077 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409293676 1071828802 /nfs/dbraw/zinc/82/88/02/1071828802.db2.gz LHBFVNLKQYUSEE-UHFFFAOYSA-N -1 0 594.893 7.020 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409046757 1071830280 /nfs/dbraw/zinc/83/02/80/1071830280.db2.gz LXTOZVVONGDAMP-UHFFFAOYSA-N -1 0 705.871 8.214 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409293589 1071832995 /nfs/dbraw/zinc/83/29/95/1071832995.db2.gz IUACUZNAVAMJKU-UHFFFAOYSA-N -1 0 660.306 6.221 40 30 KKEBRM O=C([O-])c1ccc(-n2cccc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1 ZINC000409293230 1071837478 /nfs/dbraw/zinc/83/74/78/1071837478.db2.gz JRSWHORMNCHRQI-UHFFFAOYSA-N -1 0 553.372 5.943 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409293296 1071838579 /nfs/dbraw/zinc/83/85/79/1071838579.db2.gz XUECBYLGTMCFMI-CYBMUJFWSA-N -1 0 601.240 6.613 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409293331 1071839670 /nfs/dbraw/zinc/83/96/70/1071839670.db2.gz HRAZCSUGDJYPQR-UHFFFAOYSA-N -1 0 671.447 6.582 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)cc21 ZINC000409292589 1071852107 /nfs/dbraw/zinc/85/21/07/1071852107.db2.gz HJZSWBPHXWHKCJ-UHFFFAOYSA-N -1 0 575.577 5.986 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409043918 1071853569 /nfs/dbraw/zinc/85/35/69/1071853569.db2.gz FVCYLCOVSPHHHK-UHFFFAOYSA-N -1 0 705.871 8.214 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408785899 1071853529 /nfs/dbraw/zinc/85/35/29/1071853529.db2.gz JLABPKOXFWZWFI-OEAKJJBVSA-N -1 0 576.403 5.640 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000409043657 1071857573 /nfs/dbraw/zinc/85/75/73/1071857573.db2.gz SUDQWDBVHRINSP-UKTHLTGXSA-N -1 0 540.595 5.096 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409292120 1071860683 /nfs/dbraw/zinc/86/06/83/1071860683.db2.gz SBYGUPVJFQHDRK-OAHLLOKOSA-N -1 0 592.402 5.324 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)n(CC(=O)[O-])c3ccccc23)cc1C(C)C ZINC000409292134 1071860719 /nfs/dbraw/zinc/86/07/19/1071860719.db2.gz SDXGWSPAWBBENL-UHFFFAOYSA-N -1 0 522.605 5.734 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c3)cc21 ZINC000409291921 1071862512 /nfs/dbraw/zinc/86/25/12/1071862512.db2.gz RNMLDTGANVXOHZ-HNNXBMFYSA-N -1 0 639.402 5.166 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1 ZINC000409292006 1071863702 /nfs/dbraw/zinc/86/37/02/1071863702.db2.gz ZDYFDBQMPOBRPU-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409291995 1071863754 /nfs/dbraw/zinc/86/37/54/1071863754.db2.gz FBOFIZALMFSYSB-AWEZNQCLSA-N -1 0 638.824 6.631 40 30 KKEBRM Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409291825 1071866096 /nfs/dbraw/zinc/86/60/96/1071866096.db2.gz DPPNTEBIPJLFQZ-UHFFFAOYSA-N -1 0 585.458 6.034 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409042320 1071870964 /nfs/dbraw/zinc/87/09/64/1071870964.db2.gz MIAKRZOLCPBZMK-UHFFFAOYSA-N -1 0 679.383 5.786 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000409042409 1071868392 /nfs/dbraw/zinc/86/83/92/1071868392.db2.gz MVHYCVTZBARWOT-UHFFFAOYSA-N -1 0 571.413 5.979 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409291541 1071873243 /nfs/dbraw/zinc/87/32/43/1071873243.db2.gz CZTVYSQYZRTHDM-AWEZNQCLSA-N -1 0 532.896 5.105 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408794851 1071883976 /nfs/dbraw/zinc/88/39/76/1071883976.db2.gz JJAUZSGHIIOMLD-CCWWSCKISA-N -1 0 581.488 6.667 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408796779 1071878634 /nfs/dbraw/zinc/87/86/34/1071878634.db2.gz ZDJSXNUDUPZLCJ-SLOBHAQXSA-N -1 0 567.461 6.277 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408796427 1071879044 /nfs/dbraw/zinc/87/90/44/1071879044.db2.gz ODSIRJZGNLOKMK-GXMXPRDMSA-N -1 0 634.879 6.464 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2Br)cc1C(C)C ZINC000409291261 1071879095 /nfs/dbraw/zinc/87/90/95/1071879095.db2.gz AEFYNGWONZTSPM-UHFFFAOYSA-N -1 0 733.059 8.868 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796340 1071879352 /nfs/dbraw/zinc/87/93/52/1071879352.db2.gz NUAJQFYCCIMKFW-DIENZIEHSA-N -1 0 775.200 7.169 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408793598 1071886409 /nfs/dbraw/zinc/88/64/09/1071886409.db2.gz FMXCWWBNHRWWNL-LGUMZPBXSA-N -1 0 573.468 7.113 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408793283 1071887135 /nfs/dbraw/zinc/88/71/35/1071887135.db2.gz ODWFMTSCBAUDAW-GXMXPRDMSA-N -1 0 679.330 6.573 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408792499 1071888211 /nfs/dbraw/zinc/88/82/11/1071888211.db2.gz AKHGMJNQLKJWQL-CTMKFROTSA-N -1 0 585.451 6.498 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408791764 1071889257 /nfs/dbraw/zinc/88/92/57/1071889257.db2.gz CBMXWIZWRMEDGT-SILRWXEESA-N -1 0 557.853 6.614 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409290618 1071889638 /nfs/dbraw/zinc/88/96/38/1071889638.db2.gz USEPPJXMCOWHKS-UHFFFAOYSA-N -1 0 520.383 5.442 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409290712 1071891238 /nfs/dbraw/zinc/89/12/38/1071891238.db2.gz AOTSPTQVPBTPAK-UHFFFAOYSA-N -1 0 559.578 6.368 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I ZINC000408790180 1071894017 /nfs/dbraw/zinc/89/40/17/1071894017.db2.gz URZVGXQFDXPWFL-ANVDJJBOSA-N -1 0 599.244 5.551 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409290548 1071894420 /nfs/dbraw/zinc/89/44/20/1071894420.db2.gz UIMKWCPEBYCLHG-UHFFFAOYSA-N -1 0 661.690 6.342 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408790029 1071894528 /nfs/dbraw/zinc/89/45/28/1071894528.db2.gz MHFILUHVHHKQIG-WSDLNYQXSA-N -1 0 560.404 5.273 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409290386 1071896566 /nfs/dbraw/zinc/89/65/66/1071896566.db2.gz SKASENKZCDUYFB-OAHLLOKOSA-N -1 0 621.326 6.102 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409038788 1071904160 /nfs/dbraw/zinc/90/41/60/1071904160.db2.gz FQXDJLSRPMUIDZ-UHFFFAOYSA-N -1 0 530.621 6.195 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408788012 1071900139 /nfs/dbraw/zinc/90/01/39/1071900139.db2.gz CFRQHOFBHSAXRA-SSDVNMTOSA-N -1 0 560.404 5.192 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1 ZINC000409290077 1071901659 /nfs/dbraw/zinc/90/16/59/1071901659.db2.gz JXBSVUXIORTDDV-UHFFFAOYSA-N -1 0 584.415 7.276 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409290116 1071902211 /nfs/dbraw/zinc/90/22/11/1071902211.db2.gz QWLNHOPZQIGKOE-UHFFFAOYSA-N -1 0 618.225 5.231 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I)C(=O)[O-] ZINC000409289822 1071906860 /nfs/dbraw/zinc/90/68/60/1071906860.db2.gz PENITJKVBLLTND-OAHLLOKOSA-N -1 0 579.350 5.148 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1 ZINC000409289871 1071907364 /nfs/dbraw/zinc/90/73/64/1071907364.db2.gz IRFJIDSBZNCQCH-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409289162 1071915595 /nfs/dbraw/zinc/91/55/95/1071915595.db2.gz FDYJLJAOALLQNI-UHFFFAOYSA-N -1 0 615.278 5.788 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409288855 1071920203 /nfs/dbraw/zinc/92/02/03/1071920203.db2.gz CEDGIXAJZNIZDH-LBPRGKRZSA-N -1 0 615.706 5.831 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409289170 1071916016 /nfs/dbraw/zinc/91/60/16/1071916016.db2.gz LEDREFZFAMAYSG-HXUWFJFHSA-N -1 0 636.543 6.789 40 30 KKEBRM Cc1ccc(COc2c(Br)cc(Br)cc2C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409054396 1071916750 /nfs/dbraw/zinc/91/67/50/1071916750.db2.gz FUISETNPIGMKJJ-UHFFFAOYSA-N -1 0 629.345 6.597 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OCC ZINC000409057222 1071917715 /nfs/dbraw/zinc/91/77/15/1071917715.db2.gz UWPWEXRSIXDANJ-QZCBBHSYSA-N -1 0 577.453 5.112 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409056769 1071919331 /nfs/dbraw/zinc/91/93/31/1071919331.db2.gz NUBJSFQCVSPIDG-YHSWEDCKSA-N -1 0 527.429 6.895 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000409056561 1071921505 /nfs/dbraw/zinc/92/15/05/1071921505.db2.gz MTYCMNLHAWPKIY-UHFFFAOYSA-N -1 0 684.208 7.595 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409288933 1071921867 /nfs/dbraw/zinc/92/18/67/1071921867.db2.gz CVYZCKWMXZAUEY-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409055991 1071923786 /nfs/dbraw/zinc/92/37/86/1071923786.db2.gz KJDZCIMKPOYXSK-HYARGMPZSA-N -1 0 612.274 6.022 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])cc2Br)cc1C(C)C ZINC000409288571 1071925550 /nfs/dbraw/zinc/92/55/50/1071925550.db2.gz HTXRQIYACMKIDK-LJQANCHMSA-N -1 0 622.516 6.399 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409055330 1071928479 /nfs/dbraw/zinc/92/84/79/1071928479.db2.gz YPFVFOXHTFOFHF-HAHDFKILSA-N -1 0 564.015 5.479 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288291 1071930725 /nfs/dbraw/zinc/93/07/25/1071930725.db2.gz FUJGFZWEQOLCLC-UHFFFAOYSA-N -1 0 796.266 8.655 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288338 1071931086 /nfs/dbraw/zinc/93/10/86/1071931086.db2.gz GHIGNQGWAKWWKV-UHFFFAOYSA-N -1 0 570.827 5.679 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409287690 1071939331 /nfs/dbraw/zinc/93/93/31/1071939331.db2.gz YBDOCWYLDXVYCZ-CQSZACIVSA-N -1 0 562.848 5.603 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409287560 1071942311 /nfs/dbraw/zinc/94/23/11/1071942311.db2.gz WPKHBGQRXYBACE-IBGZPJMESA-N -1 0 622.516 6.399 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409287854 1071937162 /nfs/dbraw/zinc/93/71/62/1071937162.db2.gz AAWBPHACJHZRGT-UHFFFAOYSA-N -1 0 704.359 6.619 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409297170 1071952534 /nfs/dbraw/zinc/95/25/34/1071952534.db2.gz KHBAEPYPNOMMTD-UHFFFAOYSA-N -1 0 618.734 7.119 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCC(=O)[O-])c(OCC)c2)cc1C(C)C ZINC000409296664 1071958846 /nfs/dbraw/zinc/95/88/46/1071958846.db2.gz URRSRTJGLLXWLG-UHFFFAOYSA-N -1 0 669.516 6.243 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000409296683 1071958881 /nfs/dbraw/zinc/95/88/81/1071958881.db2.gz UXKNZNUZONEMSO-UHFFFAOYSA-N -1 0 514.763 5.776 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409296462 1071959996 /nfs/dbraw/zinc/95/99/96/1071959996.db2.gz IIPWIRVWSDDEOB-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409297020 1071955028 /nfs/dbraw/zinc/95/50/28/1071955028.db2.gz VLJIGMCOBWCWDK-UHFFFAOYSA-N -1 0 550.011 5.512 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1I ZINC000409296743 1071955125 /nfs/dbraw/zinc/95/51/25/1071955125.db2.gz IWBOYZVTDXACRA-UHFFFAOYSA-N -1 0 599.768 5.413 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1 ZINC000409296569 1071961920 /nfs/dbraw/zinc/96/19/20/1071961920.db2.gz UDIFLODZKSYHTF-UHFFFAOYSA-N -1 0 673.317 7.494 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409049800 1071962292 /nfs/dbraw/zinc/96/22/92/1071962292.db2.gz XMKKZYRJCIOKSV-UHFFFAOYSA-N -1 0 660.315 6.197 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)C2=C1CCCC2=O ZINC000409049164 1071966301 /nfs/dbraw/zinc/96/63/01/1071966301.db2.gz VEXRNQVBAPFEJS-UHFFFAOYSA-N -1 0 544.406 6.210 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-] ZINC000409295876 1071969482 /nfs/dbraw/zinc/96/94/82/1071969482.db2.gz RVDLFDSDAXYBHH-LLVKDONJSA-N -1 0 541.229 5.497 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409295953 1071971100 /nfs/dbraw/zinc/97/11/00/1071971100.db2.gz SBQMCYHVJDSZHA-UHFFFAOYSA-N -1 0 574.681 7.011 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409295980 1071971124 /nfs/dbraw/zinc/97/11/24/1071971124.db2.gz PUFRWLHDFXMYTJ-UHFFFAOYSA-N -1 0 750.343 7.345 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409295748 1071972145 /nfs/dbraw/zinc/97/21/45/1071972145.db2.gz FXEOGXVSPXLJPH-OAHLLOKOSA-N -1 0 604.379 5.978 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1Cl ZINC000409047601 1071979339 /nfs/dbraw/zinc/97/93/39/1071979339.db2.gz OXIKCQQSTAQMIT-IGKKRCNSSA-N -1 0 522.944 5.524 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059379 1071980515 /nfs/dbraw/zinc/98/05/15/1071980515.db2.gz WXAZKXVVJNMJGA-TUGOISKESA-N -1 0 557.853 6.614 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C#N)cc3)c(I)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409059065 1071982771 /nfs/dbraw/zinc/98/27/71/1071982771.db2.gz QSEKIYXJPVSZPH-IQTOHAQMSA-N -1 0 721.314 6.278 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409066421 1071994768 /nfs/dbraw/zinc/99/47/68/1071994768.db2.gz AQRLCKFULHSHLJ-UHFFFAOYSA-N -1 0 562.106 7.323 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1 ZINC000409066479 1071995369 /nfs/dbraw/zinc/99/53/69/1071995369.db2.gz LHWBHIPLQXASRA-UHFFFAOYSA-N -1 0 636.583 7.197 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409294224 1072001436 /nfs/dbraw/zinc/00/14/36/1072001436.db2.gz ALPBHSBKVOYZFX-UHFFFAOYSA-N -1 0 565.380 5.350 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409307216 1072003917 /nfs/dbraw/zinc/00/39/17/1072003917.db2.gz RQGUBOVRXUFZJU-UHFFFAOYSA-N -1 0 720.168 6.842 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O ZINC000409066062 1072004000 /nfs/dbraw/zinc/00/40/00/1072004000.db2.gz AIZRXXGEQIRNPE-UHFFFAOYSA-N -1 0 516.432 5.315 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1 ZINC000409067165 1071998155 /nfs/dbraw/zinc/99/81/55/1071998155.db2.gz OAUCUBGIDJAUQE-UHFFFAOYSA-N -1 0 641.502 6.157 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067185 1071998684 /nfs/dbraw/zinc/99/86/84/1071998684.db2.gz OCYSOIPXODBONW-UHFFFAOYSA-N -1 0 566.448 5.826 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066316 1072003628 /nfs/dbraw/zinc/00/36/28/1072003628.db2.gz BQLIBSBVGYNRHJ-BUVRLJJBSA-N -1 0 532.980 5.331 40 30 KKEBRM Cc1ccc(COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Br)cc1 ZINC000409066079 1072004179 /nfs/dbraw/zinc/00/41/79/1072004179.db2.gz AKDPMCRAUKQBEQ-UHFFFAOYSA-N -1 0 620.584 7.497 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409065824 1072006648 /nfs/dbraw/zinc/00/66/48/1072006648.db2.gz NQHPHJRPNDVUNJ-UHFFFAOYSA-N -1 0 661.817 6.660 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409065666 1072007020 /nfs/dbraw/zinc/00/70/20/1072007020.db2.gz KDHFWNYEYMZCPO-BUVRLJJBSA-N -1 0 531.008 6.021 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409306903 1072007414 /nfs/dbraw/zinc/00/74/14/1072007414.db2.gz RDETWTIMGAICNH-CQSZACIVSA-N -1 0 590.352 5.588 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccccc3F)c(Br)c2)C2=C1CCCC2=O ZINC000409065716 1072007717 /nfs/dbraw/zinc/00/77/17/1072007717.db2.gz KRORDYIGFPZJQA-UHFFFAOYSA-N -1 0 568.439 6.055 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1 ZINC000409065585 1072008979 /nfs/dbraw/zinc/00/89/79/1072008979.db2.gz HTNRNOJKGMWDCZ-UHFFFAOYSA-N -1 0 612.492 6.454 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(Br)c3)cc21 ZINC000409306781 1072010094 /nfs/dbraw/zinc/01/00/94/1072010094.db2.gz PWRVPJILTKXUHF-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)cc1C(C)C ZINC000409306958 1072004337 /nfs/dbraw/zinc/00/43/37/1072004337.db2.gz QOKWIFJFQPLLMB-UHFFFAOYSA-N -1 0 584.676 7.087 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065777 1072005993 /nfs/dbraw/zinc/00/59/93/1072005993.db2.gz NEPWCIYYCLZZMT-HZHRSRAPSA-N -1 0 645.915 5.664 40 30 KKEBRM COc1ccc2ccccc2c1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409065203 1072010490 /nfs/dbraw/zinc/01/04/90/1072010490.db2.gz ICFUZGDXSXQWGO-UHFFFAOYSA-N -1 0 501.623 6.009 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccccc1Cl ZINC000409065254 1072010998 /nfs/dbraw/zinc/01/09/98/1072010998.db2.gz HCDUJTMDPGYVEM-UHFFFAOYSA-N -1 0 562.062 6.154 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC000409306613 1072011276 /nfs/dbraw/zinc/01/12/76/1072011276.db2.gz QGUATOYLLZDQRF-UHFFFAOYSA-N -1 0 599.485 6.288 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)[O-] ZINC000409306636 1072011778 /nfs/dbraw/zinc/01/17/78/1072011778.db2.gz RCMRYGDXWRQFDY-UHFFFAOYSA-N -1 0 545.901 5.480 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409064946 1072011917 /nfs/dbraw/zinc/01/19/17/1072011917.db2.gz JNFADNPDRPWAFD-UHFFFAOYSA-N -1 0 642.170 6.277 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)c3ccccc32)cc1 ZINC000409306088 1072015775 /nfs/dbraw/zinc/01/57/75/1072015775.db2.gz PDIZCKIMVYGKOG-UHFFFAOYSA-N -1 0 617.459 7.156 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)C2=C1CC(C)(C)CC2=O ZINC000409064623 1072013094 /nfs/dbraw/zinc/01/30/94/1072013094.db2.gz IESHVCBTAPYWCZ-UHFFFAOYSA-N -1 0 513.634 6.279 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409064050 1072017497 /nfs/dbraw/zinc/01/74/97/1072017497.db2.gz BIJVIXMPXHLAPF-UHFFFAOYSA-N -1 0 719.898 8.604 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)cc21 ZINC000409305932 1072017574 /nfs/dbraw/zinc/01/75/74/1072017574.db2.gz NXSCUGQILVKMOL-UHFFFAOYSA-N -1 0 595.611 7.131 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409063903 1072018346 /nfs/dbraw/zinc/01/83/46/1072018346.db2.gz ANGDXWSMIRADTJ-MFKUBSTISA-N -1 0 587.459 7.129 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409306005 1072018666 /nfs/dbraw/zinc/01/86/66/1072018666.db2.gz OSDSRHSPPMYCRM-IBGZPJMESA-N -1 0 588.617 5.545 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409306015 1072018962 /nfs/dbraw/zinc/01/89/62/1072018962.db2.gz OCEBPQQNHMHIQE-UHFFFAOYSA-N -1 0 654.561 7.816 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OC ZINC000409063645 1072020289 /nfs/dbraw/zinc/02/02/89/1072020289.db2.gz DCYNRKLWQOTXRR-UHFFFAOYSA-N -1 0 621.512 5.859 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409062475 1072024247 /nfs/dbraw/zinc/02/42/47/1072024247.db2.gz VJWUZZXNZMLKKO-YHSWEDCKSA-N -1 0 571.880 7.004 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409062549 1072024800 /nfs/dbraw/zinc/02/48/00/1072024800.db2.gz WPOIVPFUWVWLRU-NVHABHRXSA-N -1 0 566.417 5.409 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000409304924 1072030627 /nfs/dbraw/zinc/03/06/27/1072030627.db2.gz TZUSWAFPUQNUJO-STQMWFEESA-N -1 0 628.261 5.020 40 30 KKEBRM C[C@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409305045 1072032438 /nfs/dbraw/zinc/03/24/38/1072032438.db2.gz MPZOHFTUKMNBCY-AWEZNQCLSA-N -1 0 532.896 5.105 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409304674 1072035251 /nfs/dbraw/zinc/03/52/51/1072035251.db2.gz LWLIAPMYNBTQLB-UHFFFAOYSA-N -1 0 579.407 5.524 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409067290 1072039473 /nfs/dbraw/zinc/03/94/73/1072039473.db2.gz QBBDKYKAWRFPPS-UHFFFAOYSA-N -1 0 592.132 6.949 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409074386 1072039973 /nfs/dbraw/zinc/03/99/73/1072039973.db2.gz QPNXJRUDLLASOH-BUVRLJJBSA-N -1 0 577.431 5.440 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409303750 1072046741 /nfs/dbraw/zinc/04/67/41/1072046741.db2.gz HWWHQMRKGMZTMD-UHFFFAOYSA-N -1 0 615.642 6.715 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409076628 1072048996 /nfs/dbraw/zinc/04/89/96/1072048996.db2.gz BHKPIYDGLAXETA-UHFFFAOYSA-N -1 0 586.062 5.004 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076707 1072049797 /nfs/dbraw/zinc/04/97/97/1072049797.db2.gz BXTVHNALZKXUSH-UHFFFAOYSA-N -1 0 796.577 8.570 40 30 KKEBRM O=C([O-])COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1I ZINC000409303468 1072051138 /nfs/dbraw/zinc/05/11/38/1072051138.db2.gz HBRBHCYNEZASIS-UHFFFAOYSA-N -1 0 719.195 5.637 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409076194 1072053815 /nfs/dbraw/zinc/05/38/15/1072053815.db2.gz ZITKXSBQIXZPCR-UHFFFAOYSA-N -1 0 633.785 7.901 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c2C(=O)Nc2ccccc2)C1 ZINC000409076249 1072054225 /nfs/dbraw/zinc/05/42/25/1072054225.db2.gz AAVNBMRXZQOMCD-DFDIYMMZSA-N -1 0 526.658 7.860 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409075974 1072056953 /nfs/dbraw/zinc/05/69/53/1072056953.db2.gz ZTSWRQPYFFLIFA-LPYMAVHISA-N -1 0 630.322 7.129 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409303022 1072057363 /nfs/dbraw/zinc/05/73/63/1072057363.db2.gz GKGFVOZLQYYUAK-UHFFFAOYSA-N -1 0 686.868 7.666 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409075579 1072059055 /nfs/dbraw/zinc/05/90/55/1072059055.db2.gz SALIHEUXAWQRFX-UHFFFAOYSA-N -1 0 612.144 6.268 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccccc2)C2=C1CCCC2=O ZINC000409075670 1072059662 /nfs/dbraw/zinc/05/96/62/1072059662.db2.gz ZTORNNGSUZBVFB-UHFFFAOYSA-N -1 0 629.345 6.679 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409075683 1072059725 /nfs/dbraw/zinc/05/97/25/1072059725.db2.gz ZXNMHSICKBVGRW-UHFFFAOYSA-N -1 0 607.725 5.542 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409075459 1072060012 /nfs/dbraw/zinc/06/00/12/1072060012.db2.gz YXOYIZDLZYZGKP-UHFFFAOYSA-N -1 0 620.540 6.653 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409075512 1072060565 /nfs/dbraw/zinc/06/05/65/1072060565.db2.gz WNUXXCCHWGLSPS-UHFFFAOYSA-N -1 0 719.594 5.838 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409074964 1072063371 /nfs/dbraw/zinc/06/33/71/1072063371.db2.gz VUPLFRZJABMIKP-UHFFFAOYSA-N -1 0 696.365 7.074 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409302643 1072063632 /nfs/dbraw/zinc/06/36/32/1072063632.db2.gz FTFNYYRRMAHVBS-AWEZNQCLSA-N -1 0 532.822 5.594 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409074353 1072069010 /nfs/dbraw/zinc/06/90/10/1072069010.db2.gz PYXMIKQSTCIEGS-UHFFFAOYSA-N -1 0 544.486 6.008 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409074851 1072065185 /nfs/dbraw/zinc/06/51/85/1072065185.db2.gz SOSLSQSBMKGAOF-OEAKJJBVSA-N -1 0 565.453 6.674 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccc(Br)cc1 ZINC000409074727 1072066805 /nfs/dbraw/zinc/06/68/05/1072066805.db2.gz RACNJUMGYBEVGL-UHFFFAOYSA-N -1 0 606.557 7.188 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074234 1072068309 /nfs/dbraw/zinc/06/83/09/1072068309.db2.gz PLZCUZKZVKHSON-UHFFFAOYSA-N -1 0 726.708 9.053 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000409073818 1072071617 /nfs/dbraw/zinc/07/16/17/1072071617.db2.gz NOOBTHDGZNEVDJ-UHFFFAOYSA-N -1 0 580.096 7.218 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409074083 1072071638 /nfs/dbraw/zinc/07/16/38/1072071638.db2.gz RUCUYEIJCHSMIN-UHFFFAOYSA-N -1 0 685.453 7.951 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409302124 1072071806 /nfs/dbraw/zinc/07/18/06/1072071806.db2.gz HOBRROPFUKYBBX-JTQLQIEISA-N -1 0 652.068 5.470 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409073691 1072072852 /nfs/dbraw/zinc/07/28/52/1072072852.db2.gz WYJBHYHVHNZHTR-UHFFFAOYSA-N -1 0 576.454 5.259 40 30 KKEBRM CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409073753 1072073292 /nfs/dbraw/zinc/07/32/92/1072073292.db2.gz XKOYZXOXEXZSBE-UHFFFAOYSA-N -1 0 550.449 6.160 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073721 1072073347 /nfs/dbraw/zinc/07/33/47/1072073347.db2.gz XDGFYCXWHHDHDA-UHFFFAOYSA-N -1 0 747.524 9.375 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1cccc(F)c1 ZINC000409073070 1072076963 /nfs/dbraw/zinc/07/69/63/1072076963.db2.gz ORMOFECOSCXQSQ-UHFFFAOYSA-N -1 0 545.607 5.640 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409073584 1072074774 /nfs/dbraw/zinc/07/47/74/1072074774.db2.gz WDBHUSGFIKDAHQ-UHFFFAOYSA-N -1 0 616.711 6.733 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1C(C)C ZINC000409301790 1072074976 /nfs/dbraw/zinc/07/49/76/1072074976.db2.gz CFNBVYYEXCDUPK-UHFFFAOYSA-N -1 0 521.573 6.344 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409073499 1072076216 /nfs/dbraw/zinc/07/62/16/1072076216.db2.gz PTRUWDZVYWBGBB-PCLIKHOPSA-N -1 0 591.458 5.830 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409072659 1072080736 /nfs/dbraw/zinc/08/07/36/1072080736.db2.gz RGKCVYDDOIKVBK-OEXTVKITSA-N -1 0 533.562 5.505 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409301375 1072081016 /nfs/dbraw/zinc/08/10/16/1072081016.db2.gz AYKUEJONKBUQGU-UHFFFAOYSA-N -1 0 610.110 7.707 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCCC ZINC000409072506 1072081736 /nfs/dbraw/zinc/08/17/36/1072081736.db2.gz SHGPKTALULMJDM-UHFFFAOYSA-N -1 0 507.627 5.491 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409301170 1072081914 /nfs/dbraw/zinc/08/19/14/1072081914.db2.gz BNMMRVMPJWHCOT-NSHDSACASA-N -1 0 601.679 5.270 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409071297 1072090709 /nfs/dbraw/zinc/09/07/09/1072090709.db2.gz JEPGZXVUHPYNGS-ZVHZXABRSA-N -1 0 561.978 5.621 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071952 1072085731 /nfs/dbraw/zinc/08/57/31/1072085731.db2.gz QWWUGBGAHZADHN-UHFFFAOYSA-N -1 0 626.127 5.733 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409071930 1072085851 /nfs/dbraw/zinc/08/58/51/1072085851.db2.gz QQZQIQLKAJPFTC-UHFFFAOYSA-N -1 0 721.464 6.750 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409071911 1072085876 /nfs/dbraw/zinc/08/58/76/1072085876.db2.gz SUAPLXJRFYDSMV-UHFFFAOYSA-N -1 0 562.062 6.154 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409071981 1072086065 /nfs/dbraw/zinc/08/60/65/1072086065.db2.gz ACDQSKQMRINRGO-RUMWWMSVSA-N -1 0 602.687 6.947 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000409300688 1072087004 /nfs/dbraw/zinc/08/70/04/1072087004.db2.gz YEHGRESFJIMKFK-UHFFFAOYSA-N -1 0 560.994 6.165 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409071515 1072088613 /nfs/dbraw/zinc/08/86/13/1072088613.db2.gz PGYMWZDHYKVCME-UHFFFAOYSA-N -1 0 658.567 5.812 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1 ZINC000409071549 1072088671 /nfs/dbraw/zinc/08/86/71/1072088671.db2.gz HDKHRKMJQRHVGU-UHFFFAOYSA-N -1 0 592.132 7.088 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409071585 1072089185 /nfs/dbraw/zinc/08/91/85/1072089185.db2.gz HJROOCMROUAKPS-UHFFFAOYSA-N -1 0 592.132 7.088 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409300641 1072089377 /nfs/dbraw/zinc/08/93/77/1072089377.db2.gz XTFRVDBDTQCYTB-UHFFFAOYSA-N -1 0 557.448 6.040 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409071200 1072090325 /nfs/dbraw/zinc/09/03/25/1072090325.db2.gz IOKFKOQYAKYOJC-OVVQPSECSA-N -1 0 581.068 7.174 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409300302 1072092580 /nfs/dbraw/zinc/09/25/80/1072092580.db2.gz VYHRBMIEBIRISA-UHFFFAOYSA-N -1 0 745.346 8.165 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1c(OCc2ccccc2)ccc2ccccc21 ZINC000409070619 1072094017 /nfs/dbraw/zinc/09/40/17/1072094017.db2.gz CUJHJKPRNTYKAB-UHFFFAOYSA-N -1 0 577.721 7.579 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C2=C1CCCC2=O ZINC000409070456 1072094498 /nfs/dbraw/zinc/09/44/98/1072094498.db2.gz XVCIUDGBXGSYKA-UHFFFAOYSA-N -1 0 558.433 6.600 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409070475 1072094781 /nfs/dbraw/zinc/09/47/81/1072094781.db2.gz YFKHBZRAVUNBSN-FYJGNVAPSA-N -1 0 585.871 7.019 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2cccc3ccccc32)C2=C1CCCC2=O ZINC000409070478 1072094809 /nfs/dbraw/zinc/09/48/09/1072094809.db2.gz YHNLGGHDQRMLMC-UHFFFAOYSA-N -1 0 556.058 6.960 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409069873 1072098700 /nfs/dbraw/zinc/09/87/00/1072098700.db2.gz AXMGCFJKTUMXBD-UHFFFAOYSA-N -1 0 652.615 8.080 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000409070577 1072095264 /nfs/dbraw/zinc/09/52/64/1072095264.db2.gz CIBPEMXJOYCRMB-UHFFFAOYSA-N -1 0 513.373 6.399 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409299685 1072098766 /nfs/dbraw/zinc/09/87/66/1072098766.db2.gz RNHGEZSMGNSRRX-AWEZNQCLSA-N -1 0 643.821 5.810 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409299668 1072098834 /nfs/dbraw/zinc/09/88/34/1072098834.db2.gz RJCRPYSWIFWCBM-UHFFFAOYSA-N -1 0 565.585 7.122 40 30 KKEBRM Cc1ccc(COc2ccc3ccccc3c2C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409070374 1072095709 /nfs/dbraw/zinc/09/57/09/1072095709.db2.gz YXYVJQKRBCFMTM-UHFFFAOYSA-N -1 0 535.640 6.615 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409070228 1072097154 /nfs/dbraw/zinc/09/71/54/1072097154.db2.gz LCKFARRTNRPTGN-LFVJCYFKSA-N -1 0 547.007 5.721 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409070035 1072098012 /nfs/dbraw/zinc/09/80/12/1072098012.db2.gz MRHSUKWKYRFKSN-UHFFFAOYSA-N -1 0 610.534 7.198 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409068854 1072107362 /nfs/dbraw/zinc/10/73/62/1072107362.db2.gz JLPUVBFAQTVEND-UHFFFAOYSA-N -1 0 635.393 6.937 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409069704 1072099695 /nfs/dbraw/zinc/09/96/95/1072099695.db2.gz XFQDKESEXPQROA-UHFFFAOYSA-N -1 0 606.557 7.188 40 30 KKEBRM C#CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409069965 1072099783 /nfs/dbraw/zinc/09/97/83/1072099783.db2.gz KEMPYHSSUWGJFB-UHFFFAOYSA-N -1 0 584.507 5.630 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069756 1072100111 /nfs/dbraw/zinc/10/01/11/1072100111.db2.gz WHHBSMPAWQSEIP-UHFFFAOYSA-N -1 0 655.832 7.813 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409299467 1072105071 /nfs/dbraw/zinc/10/50/71/1072105071.db2.gz SSMWQGVGYSTYPA-CYBMUJFWSA-N -1 0 656.243 5.977 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409069174 1072105333 /nfs/dbraw/zinc/10/53/33/1072105333.db2.gz HYTHYCPZILBSON-UHFFFAOYSA-N -1 0 530.061 5.908 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409069119 1072107336 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CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409068763 1072108777 /nfs/dbraw/zinc/10/87/77/1072108777.db2.gz HXEVATLFTTYJIG-UHFFFAOYSA-N -1 0 614.541 7.872 40 30 KKEBRM C[C@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-] ZINC000409298924 1072110188 /nfs/dbraw/zinc/11/01/88/1072110188.db2.gz QHOJUFDZXHQZTO-HNNXBMFYSA-N -1 0 522.399 5.344 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br)C(=O)[O-] ZINC000409298922 1072114390 /nfs/dbraw/zinc/11/43/90/1072114390.db2.gz QGQYKWHZQOPBMN-CYBMUJFWSA-N -1 0 601.240 6.613 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068430 1072111254 /nfs/dbraw/zinc/11/12/54/1072111254.db2.gz ANNMEDKXGGIKOL-UHFFFAOYSA-N -1 0 583.725 7.064 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])cc2Br)cc1C(C)C ZINC000409298683 1072115226 /nfs/dbraw/zinc/11/52/26/1072115226.db2.gz XDBVOGWUEGISOO-UHFFFAOYSA-N -1 0 608.489 6.011 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(OC)c3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409298088 1072123014 /nfs/dbraw/zinc/12/30/14/1072123014.db2.gz WABMDDYRVSHESJ-UHFFFAOYSA-N -1 0 610.022 6.640 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067531 1072116512 /nfs/dbraw/zinc/11/65/12/1072116512.db2.gz RELOLRPOTIRVIW-UHFFFAOYSA-N -1 0 712.681 8.663 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409298534 1072117419 /nfs/dbraw/zinc/11/74/19/1072117419.db2.gz OLUBEGSBXYAKMR-AWEZNQCLSA-N -1 0 607.373 5.223 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409067421 1072117480 /nfs/dbraw/zinc/11/74/80/1072117480.db2.gz QRPDKDXZWNTRSB-UHFFFAOYSA-N -1 0 629.345 6.679 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409298127 1072123308 /nfs/dbraw/zinc/12/33/08/1072123308.db2.gz NNWGNFSWXPNGOJ-UHFFFAOYSA-N -1 0 686.868 7.666 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409298097 1072123321 /nfs/dbraw/zinc/12/33/21/1072123321.db2.gz NGXRQZLTYBESCW-UHFFFAOYSA-N -1 0 719.919 7.626 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)cc21 ZINC000409297976 1072125427 /nfs/dbraw/zinc/12/54/27/1072125427.db2.gz LWQFXPHHJABCQI-UHFFFAOYSA-N -1 0 539.931 6.312 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409297890 1072128379 /nfs/dbraw/zinc/12/83/79/1072128379.db2.gz MVQWCJDYURNBRU-UHFFFAOYSA-N -1 0 565.380 5.350 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079876 1072129819 /nfs/dbraw/zinc/12/98/19/1072129819.db2.gz BZMNIXQOHAWFEH-LPYMAVHISA-N -1 0 595.530 6.426 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409079387 1072134495 /nfs/dbraw/zinc/13/44/95/1072134495.db2.gz JOPFEBWPSGNLHY-UHFFFAOYSA-N -1 0 590.938 6.557 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000409078676 1072142494 /nfs/dbraw/zinc/14/24/94/1072142494.db2.gz IXTNBEZLRRIYBQ-UHFFFAOYSA-N -1 0 556.493 5.904 40 30 KKEBRM O=C([O-])c1cccc(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)o2)c1 ZINC000409313660 1072151501 /nfs/dbraw/zinc/15/15/01/1072151501.db2.gz QOBBQQNMOWARDB-UHFFFAOYSA-N -1 0 520.383 6.047 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409313496 1072152420 /nfs/dbraw/zinc/15/24/20/1072152420.db2.gz BWDKXLJCXUMCTR-QGZVFWFLSA-N -1 0 564.436 5.841 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409086852 1072161765 /nfs/dbraw/zinc/16/17/65/1072161765.db2.gz HJTYSFJCVSCREO-AMVVHIIESA-N -1 0 509.440 6.490 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC000409312388 1072160647 /nfs/dbraw/zinc/16/06/47/1072160647.db2.gz LESLZAXPGQQZDF-CYBMUJFWSA-N -1 0 674.184 6.159 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409313029 1072155805 /nfs/dbraw/zinc/15/58/05/1072155805.db2.gz AYYZMEORDNDJOV-UHFFFAOYSA-N -1 0 638.946 7.418 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1O[C@H](C)C(=O)[O-] ZINC000409312850 1072156686 /nfs/dbraw/zinc/15/66/86/1072156686.db2.gz MVIKOIOTWHRZJR-CQSZACIVSA-N -1 0 607.299 5.712 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077289 1072157233 /nfs/dbraw/zinc/15/72/33/1072157233.db2.gz DAZUEAUMUBRQNB-UHFFFAOYSA-N -1 0 661.073 8.220 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086628 1072165877 /nfs/dbraw/zinc/16/58/77/1072165877.db2.gz FTHGASWIISYYSS-RGVLZGJSSA-N -1 0 612.473 5.718 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409311861 1072167849 /nfs/dbraw/zinc/16/78/49/1072167849.db2.gz CBNPBAPYHVSYPM-GOSISDBHSA-N -1 0 577.479 5.898 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409311626 1072168383 /nfs/dbraw/zinc/16/83/83/1072168383.db2.gz GLHGAVHWNZLOEQ-UHFFFAOYSA-N -1 0 579.407 5.569 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000409086271 1072168721 /nfs/dbraw/zinc/16/87/21/1072168721.db2.gz GQYHNPGIHIRJEQ-FOKLQQMPSA-N -1 0 528.571 6.956 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C2=C1CCCC2=O ZINC000409085875 1072174323 /nfs/dbraw/zinc/17/43/23/1072174323.db2.gz OTZDUWVZVSFHOR-UHFFFAOYSA-N -1 0 714.285 7.429 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409310973 1072176886 /nfs/dbraw/zinc/17/68/86/1072176886.db2.gz XNTMUPBLOZYMRB-ZIAGYGMSSA-N -1 0 550.837 5.459 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)sc2C1 ZINC000409085405 1072178398 /nfs/dbraw/zinc/17/83/98/1072178398.db2.gz SEZSZBGTUMCDRO-CGFDVFMDSA-N -1 0 551.506 7.561 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000409310879 1072179069 /nfs/dbraw/zinc/17/90/69/1072179069.db2.gz XCEFTECFHBPGFY-UHFFFAOYSA-N -1 0 535.442 5.798 40 30 KKEBRM O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000409310464 1072180740 /nfs/dbraw/zinc/18/07/40/1072180740.db2.gz BIHBCVGGWKBWDC-UHFFFAOYSA-N -1 0 550.207 5.465 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409309005 1072196115 /nfs/dbraw/zinc/19/61/15/1072196115.db2.gz ZZFUDOWMMMGVJA-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409083641 1072198758 /nfs/dbraw/zinc/19/87/58/1072198758.db2.gz LFOPDHZDXNDTKV-JBCPZZPVSA-N -1 0 557.028 7.077 40 30 KKEBRM O=C([O-])COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409308797 1072201109 /nfs/dbraw/zinc/20/11/09/1072201109.db2.gz YXEZVGVSWPVPNR-UHFFFAOYSA-N -1 0 587.213 6.225 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(I)cc(I)c3[O-])sc2C1 ZINC000409083347 1072201592 /nfs/dbraw/zinc/20/15/92/1072201592.db2.gz SNWZXEXNOVMIAW-LYORIEDSSA-N -1 0 590.268 6.436 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409308620 1072202870 /nfs/dbraw/zinc/20/28/70/1072202870.db2.gz ZEFJEIOQQMJPKR-HSZRJFAPSA-N -1 0 597.712 6.755 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409308642 1072203313 /nfs/dbraw/zinc/20/33/13/1072203313.db2.gz ZLUKZRYSSUGVIK-UHFFFAOYSA-N -1 0 577.479 5.682 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)cc1C(C)C ZINC000409308196 1072210161 /nfs/dbraw/zinc/21/01/61/1072210161.db2.gz XOQWXZNNDJIOQF-UHFFFAOYSA-N -1 0 654.163 8.106 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c3)cc21 ZINC000409307901 1072214385 /nfs/dbraw/zinc/21/43/85/1072214385.db2.gz VIRVPRBLIXGGHM-AWEZNQCLSA-N -1 0 552.370 5.859 40 30 KKEBRM CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)S1 ZINC000409081991 1072216505 /nfs/dbraw/zinc/21/65/05/1072216505.db2.gz RDUIPCVIPSDTFG-XKZIYDEJSA-N -1 0 618.502 5.473 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OCC(=O)[O-])ccc3ccccc32)cc1C(C)C ZINC000409307791 1072217385 /nfs/dbraw/zinc/21/73/85/1072217385.db2.gz UWCCGISOWDSCCS-UHFFFAOYSA-N -1 0 549.627 6.393 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409307774 1072217468 /nfs/dbraw/zinc/21/74/68/1072217468.db2.gz WIWMLABRRIDGDH-LLVKDONJSA-N -1 0 601.679 5.441 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409081922 1072218446 /nfs/dbraw/zinc/21/84/46/1072218446.db2.gz RAMZUHOCVCEIGS-JPYNXDQDSA-N -1 0 690.559 7.250 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409307633 1072219694 /nfs/dbraw/zinc/21/96/94/1072219694.db2.gz TZHSHOULXHPHSG-SFHVURJKSA-N -1 0 551.441 5.424 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409307627 1072219723 /nfs/dbraw/zinc/21/97/23/1072219723.db2.gz TZEUGIFUMMLLBC-UHFFFAOYSA-N -1 0 556.416 6.034 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409081763 1072220365 /nfs/dbraw/zinc/22/03/65/1072220365.db2.gz HYBCPHAMCWHUAD-UHFFFAOYSA-N -1 0 567.938 5.447 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409307416 1072221077 /nfs/dbraw/zinc/22/10/77/1072221077.db2.gz SURZANMMVOLKTA-HNNXBMFYSA-N -1 0 576.949 5.504 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000409307444 1072221474 /nfs/dbraw/zinc/22/14/74/1072221474.db2.gz USSYHGRNZQYETC-CQSZACIVSA-N -1 0 566.795 5.960 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)o2)ccc1Cl ZINC000409307481 1072221934 /nfs/dbraw/zinc/22/19/34/1072221934.db2.gz VAVJBCHUHPXZTR-UHFFFAOYSA-N -1 0 509.905 6.304 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409307493 1072222426 /nfs/dbraw/zinc/22/24/26/1072222426.db2.gz SSNJRUKTCCMILY-UHFFFAOYSA-N -1 0 562.848 5.604 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409095776 1072238038 /nfs/dbraw/zinc/23/80/38/1072238038.db2.gz IVOMAIIZVYPHCB-OEAKJJBVSA-N -1 0 539.606 5.079 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC000409315537 1072240618 /nfs/dbraw/zinc/24/06/18/1072240618.db2.gz JCGZXUYUPZWSDR-NSHDSACASA-N -1 0 710.104 5.055 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC000409326734 1072245013 /nfs/dbraw/zinc/24/50/13/1072245013.db2.gz NKPZFKZFUZZJDN-UHFFFAOYSA-N -1 0 612.908 6.713 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000409325285 1072258314 /nfs/dbraw/zinc/25/83/14/1072258314.db2.gz XNQQIKLUAPVJKQ-KRWDZBQOSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409324766 1072261626 /nfs/dbraw/zinc/26/16/26/1072261626.db2.gz VJIHZFRAEDFGBL-KRWDZBQOSA-N -1 0 564.436 5.841 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(I)cc(I)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409092397 1072262516 /nfs/dbraw/zinc/26/25/16/1072262516.db2.gz VLHYWKWBWXZMMI-WFIBAECOSA-N -1 0 688.369 7.088 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409092089 1072264891 /nfs/dbraw/zinc/26/48/91/1072264891.db2.gz SWEFVAKWERCDNR-FXUQIBBNSA-N -1 0 596.319 8.189 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409091249 1072273805 /nfs/dbraw/zinc/27/38/05/1072273805.db2.gz OUPUKTZOPODQFP-UHFFFAOYSA-N -1 0 705.312 6.708 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409323543 1072274641 /nfs/dbraw/zinc/27/46/41/1072274641.db2.gz PWYCFNZFVIMRNF-NSHDSACASA-N -1 0 616.104 5.371 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C2=C1CCCC2=O ZINC000409091319 1072271492 /nfs/dbraw/zinc/27/14/92/1072271492.db2.gz PKGLVMJIHUYJNU-UHFFFAOYSA-N -1 0 691.285 6.318 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409323025 1072277272 /nfs/dbraw/zinc/27/72/72/1072277272.db2.gz MOBDMRAUSCVFQQ-CYBMUJFWSA-N -1 0 641.744 6.365 40 30 KKEBRM O=C([O-])COc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409323036 1072277662 /nfs/dbraw/zinc/27/76/62/1072277662.db2.gz MHFWPOHOCLNPOQ-UHFFFAOYSA-N -1 0 563.246 5.315 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409323085 1072278069 /nfs/dbraw/zinc/27/80/69/1072278069.db2.gz MQVCABXPDZOYCF-UHFFFAOYSA-N -1 0 647.751 7.077 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC000409322452 1072282197 /nfs/dbraw/zinc/28/21/97/1072282197.db2.gz XHXNEFHTFYHPMF-LLVKDONJSA-N -1 0 710.104 5.227 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409090616 1072278688 /nfs/dbraw/zinc/27/86/88/1072278688.db2.gz MLEAVLGXGOHIJP-UHFFFAOYSA-N -1 0 604.965 6.947 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2I)cc1 ZINC000409322700 1072281738 /nfs/dbraw/zinc/28/17/38/1072281738.db2.gz MUDVHORJTCUNGU-UHFFFAOYSA-N -1 0 812.240 7.575 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409090080 1072284476 /nfs/dbraw/zinc/28/44/76/1072284476.db2.gz OPFMTYIUYFLWEY-ITWWWJCVSA-N -1 0 508.983 6.011 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000409322367 1072284494 /nfs/dbraw/zinc/28/44/94/1072284494.db2.gz JPRMZKRWRQXLLU-UHFFFAOYSA-N -1 0 639.890 6.928 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409321710 1072288655 /nfs/dbraw/zinc/28/86/55/1072288655.db2.gz IZDYALYFKLVSBI-OLZOCXBDSA-N -1 0 629.733 6.221 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000409321566 1072289925 /nfs/dbraw/zinc/28/99/25/1072289925.db2.gz GXNWMDFZTMKKPS-OLZOCXBDSA-N -1 0 536.810 5.069 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000409089403 1072290676 /nfs/dbraw/zinc/29/06/76/1072290676.db2.gz JCGLIRBCQZQIDJ-CKEUBQBQSA-N -1 0 547.124 7.546 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000409321444 1072291336 /nfs/dbraw/zinc/29/13/36/1072291336.db2.gz HPTTVDSVPCEUII-CYBMUJFWSA-N -1 0 528.790 6.166 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c([N+](=O)[O-])c3)c2C(=O)NCc2ccco2)C1 ZINC000409089187 1072291667 /nfs/dbraw/zinc/29/16/67/1072291667.db2.gz HUIRUUXCLJCTKD-SMAZRQGKSA-N -1 0 560.470 6.549 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089011 1072292681 /nfs/dbraw/zinc/29/26/81/1072292681.db2.gz LKQUNXOBMPDWOD-UHFFFAOYSA-N -1 0 712.415 6.517 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409320929 1072297418 /nfs/dbraw/zinc/29/74/18/1072297418.db2.gz DMOLXAWXUGOYAU-UHFFFAOYSA-N -1 0 589.273 6.578 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409320745 1072298311 /nfs/dbraw/zinc/29/83/11/1072298311.db2.gz COZBLQAQBYFIQR-UHFFFAOYSA-N -1 0 613.306 6.424 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088248 1072299115 /nfs/dbraw/zinc/29/91/15/1072299115.db2.gz WLCUTCIVXFADPC-UHFFFAOYSA-N -1 0 614.573 6.693 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409320132 1072303862 /nfs/dbraw/zinc/30/38/62/1072303862.db2.gz BUXRWMZGQSEQMW-CQSZACIVSA-N -1 0 607.299 5.712 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409088063 1072303045 /nfs/dbraw/zinc/30/30/45/1072303045.db2.gz VYVGOQSMSIZVRW-UHFFFAOYSA-N -1 0 691.497 7.939 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087664 1072304793 /nfs/dbraw/zinc/30/47/93/1072304793.db2.gz DAVNSUSADBTACR-UHFFFAOYSA-N -1 0 624.046 6.719 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409319424 1072310592 /nfs/dbraw/zinc/31/05/92/1072310592.db2.gz FYROATISJHFWCL-UHFFFAOYSA-N -1 0 690.332 6.274 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409319407 1072310771 /nfs/dbraw/zinc/31/07/71/1072310771.db2.gz FQNXMDKWGNTXFH-LLVKDONJSA-N -1 0 571.653 5.262 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409319621 1072309835 /nfs/dbraw/zinc/30/98/35/1072309835.db2.gz JJEAAELNUOORDZ-UHFFFAOYSA-N -1 0 618.528 6.788 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409319121 1072313079 /nfs/dbraw/zinc/31/30/79/1072313079.db2.gz ALGBBYRNGJMSRZ-UHFFFAOYSA-N -1 0 584.854 5.933 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409319146 1072313454 /nfs/dbraw/zinc/31/34/54/1072313454.db2.gz AYJBJQOTUOZFOK-OAHLLOKOSA-N -1 0 786.202 7.041 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC000409317736 1072326331 /nfs/dbraw/zinc/32/63/31/1072326331.db2.gz RZNCPZSJCAPALV-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc(Br)cc(I)c3[O-])cc2)cc1 ZINC000409100388 1072320113 /nfs/dbraw/zinc/32/01/13/1072320113.db2.gz VODAXDKZTWTPGV-SSDVNMTOSA-N -1 0 555.191 6.569 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409317692 1072326282 /nfs/dbraw/zinc/32/62/82/1072326282.db2.gz RTSYVRSSYDSTRX-JKSUJKDBSA-N -1 0 522.399 5.560 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)SC2=N)s1 ZINC000409336510 1072330661 /nfs/dbraw/zinc/33/06/61/1072330661.db2.gz ONFGFLSJCWDQRD-HGTQCNCZSA-N -1 0 525.453 5.732 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=N)s1 ZINC000409336588 1072331203 /nfs/dbraw/zinc/33/12/03/1072331203.db2.gz QBQITSLAICPQBN-LNKFOZMESA-N -1 0 505.375 5.449 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000409336091 1072333961 /nfs/dbraw/zinc/33/39/61/1072333961.db2.gz LWCAAABIZHARQV-TXPABSBMSA-N -1 0 685.765 6.625 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)SC2=N)s1 ZINC000409335672 1072337682 /nfs/dbraw/zinc/33/76/82/1072337682.db2.gz LHWSPDVEAAQSHT-RYMBDSPKSA-N -1 0 555.479 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409335492 1072338467 /nfs/dbraw/zinc/33/84/67/1072338467.db2.gz OMSKDQMRWXHLOP-OLZOCXBDSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409334523 1072346307 /nfs/dbraw/zinc/34/63/07/1072346307.db2.gz SMGORSRRWOIXOU-MRXNPFEDSA-N -1 0 598.881 6.494 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000409332797 1072357198 /nfs/dbraw/zinc/35/71/98/1072357198.db2.gz MSVFVBNVFFZKHB-AWEZNQCLSA-N -1 0 508.372 5.821 40 30 KKEBRM COc1ccc(Nc2nc(N=NCc3cc(Br)c([O-])c(Br)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000409331128 1072372051 /nfs/dbraw/zinc/37/20/51/1072372051.db2.gz CLEGGTVNDMXOGM-CAQPMQTCSA-N -1 0 667.406 6.760 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409330459 1072378106 /nfs/dbraw/zinc/37/81/06/1072378106.db2.gz AOCZWZAXCHFSJL-KRWDZBQOSA-N -1 0 564.436 5.841 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCC(=O)[O-] ZINC000409328159 1072394663 /nfs/dbraw/zinc/39/46/63/1072394663.db2.gz ZTQXGKZPDDMCEJ-ZDUSSCGKSA-N -1 0 628.261 5.021 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409337033 1072404015 /nfs/dbraw/zinc/40/40/15/1072404015.db2.gz VXBGCGIIXCMKRZ-INIZCTEOSA-N -1 0 690.332 6.445 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=N)s1 ZINC000409336923 1072405921 /nfs/dbraw/zinc/40/59/21/1072405921.db2.gz QSMWXCNXLVLJAE-SYYZSARLSA-N -1 0 518.433 5.999 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1cc(OC)ccc1OC ZINC000409337374 1072495660 /nfs/dbraw/zinc/49/56/60/1072495660.db2.gz UHQMQJSKVUOZSE-QJAHBBQISA-N -1 0 525.652 5.513 40 30 KKEBRM Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409337449 1072496135 /nfs/dbraw/zinc/49/61/35/1072496135.db2.gz UYRKGQACTLMUKQ-ILEYUIQDSA-N -1 0 508.466 6.635 40 30 KKEBRM COc1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc(Cl)c1OCC(=O)[O-] ZINC000409364075 1072586449 /nfs/dbraw/zinc/58/64/49/1072586449.db2.gz LCPIDTRZJTZSRZ-VWJSQJICSA-N -1 0 514.965 6.978 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387244 1072683011 /nfs/dbraw/zinc/68/30/11/1072683011.db2.gz VIRNQTHZZNDPNZ-JAIQZWGSSA-N -1 0 512.056 6.278 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)SC1=Nc1ccccc1 ZINC000409387050 1072683525 /nfs/dbraw/zinc/68/35/25/1072683525.db2.gz SSHWKGSPFYPJRN-HRZUIIPWSA-N -1 0 549.718 6.373 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386662 1072686043 /nfs/dbraw/zinc/68/60/43/1072686043.db2.gz RBQIXOTUVZTBMR-NDENLUEZSA-N -1 0 512.056 6.278 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000409386148 1072688638 /nfs/dbraw/zinc/68/86/38/1072688638.db2.gz LINBDRVUSKGDNZ-WGOQTCKBSA-N -1 0 537.641 5.268 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384953 1072695676 /nfs/dbraw/zinc/69/56/76/1072695676.db2.gz HCJYGAANPURVQZ-SAYZQAFESA-N -1 0 557.697 7.130 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000409383457 1072703262 /nfs/dbraw/zinc/70/32/62/1072703262.db2.gz VJQCXFANNLJWTM-YZSQISJMSA-N -1 0 652.554 6.391 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O ZINC000409174622 1072721295 /nfs/dbraw/zinc/72/12/95/1072721295.db2.gz VTSBFOJWQLUMTJ-FSJBWODESA-N -1 0 549.402 5.834 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409173751 1072725939 /nfs/dbraw/zinc/72/59/39/1072725939.db2.gz RFKNISJQEOELSD-FSJBWODESA-N -1 0 626.428 5.685 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409389451 1072732421 /nfs/dbraw/zinc/73/24/21/1072732421.db2.gz ZGUWYPVTFZDDNZ-YZSQISJMSA-N -1 0 561.103 6.440 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387540 1072744158 /nfs/dbraw/zinc/74/41/58/1072744158.db2.gz WXTSBISAEKRUOG-NDENLUEZSA-N -1 0 556.507 6.387 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)cc1 ZINC000409404689 1072765310 /nfs/dbraw/zinc/76/53/10/1072765310.db2.gz QOQCQXNTZHAJKD-UHFFFAOYSA-N -1 0 588.845 6.639 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)cc1 ZINC000409404317 1072767850 /nfs/dbraw/zinc/76/78/50/1072767850.db2.gz PGJKVGJDWQPTHF-UHFFFAOYSA-N -1 0 601.400 5.828 40 30 KKEBRM CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N=C1C=CC(=S(=O)([O-])N2CCCCC2)C=C1 ZINC000409415985 1072785299 /nfs/dbraw/zinc/78/52/99/1072785299.db2.gz OIURVPKYSOAVHW-UHFFFAOYSA-N -1 0 530.691 5.006 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409190743 1072867114 /nfs/dbraw/zinc/86/71/14/1072867114.db2.gz VVLGMEWIXUWFTP-BRJLIKDPSA-N -1 0 503.190 6.548 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409189311 1072876604 /nfs/dbraw/zinc/87/66/04/1072876604.db2.gz JDBSXUHRJPTVOV-YZSQISJMSA-N -1 0 602.659 5.991 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409188010 1072884204 /nfs/dbraw/zinc/88/42/04/1072884204.db2.gz FCXABXJRTXNNFL-OVVQPSECSA-N -1 0 584.669 5.852 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1C ZINC000409202904 1072911417 /nfs/dbraw/zinc/91/14/17/1072911417.db2.gz UEMHAOWPTTYOCA-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM CCc1ccc(/N=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000409200819 1072920051 /nfs/dbraw/zinc/92/00/51/1072920051.db2.gz JGGOKGWECHLDBV-VULFUBBASA-N -1 0 515.347 5.890 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531099907 1072929093 /nfs/dbraw/zinc/92/90/93/1072929093.db2.gz CPRGFRGTWODTJV-CNCDYAKUSA-N -1 0 657.359 6.777 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531109791 1072931406 /nfs/dbraw/zinc/93/14/06/1072931406.db2.gz BTHFWSRZPUCPPE-AAPHRLRXSA-N -1 0 692.202 7.141 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC001531114826 1072934553 /nfs/dbraw/zinc/93/45/53/1072934553.db2.gz RISXLGMARMUWJC-NUJZUDFISA-N -1 0 535.442 5.753 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC001531117306 1072935494 /nfs/dbraw/zinc/93/54/94/1072935494.db2.gz JXRCMSMHSJFOEC-AEUUOICLSA-N -1 0 627.539 7.023 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531157111 1072948950 /nfs/dbraw/zinc/94/89/50/1072948950.db2.gz VWSHIKLDWAUAIT-AAPHRLRXSA-N -1 0 603.300 6.923 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531169772 1072953211 /nfs/dbraw/zinc/95/32/11/1072953211.db2.gz AAWBPHACJHZRGT-CNCDYAKUSA-N -1 0 704.359 6.619 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409213550 1072954944 /nfs/dbraw/zinc/95/49/44/1072954944.db2.gz UTKUVSFLCIGRGQ-NNEUGSMJSA-N -1 0 507.615 6.597 40 30 KKEBRM COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409212819 1072957316 /nfs/dbraw/zinc/95/73/16/1072957316.db2.gz QRWJEZBECJKURD-OCSSWDANSA-N -1 0 532.390 7.278 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531180578 1072957822 /nfs/dbraw/zinc/95/78/22/1072957822.db2.gz XTFRVDBDTQCYTB-BVMLUPFRSA-N -1 0 557.448 6.040 40 30 KKEBRM COc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409212928 1072958071 /nfs/dbraw/zinc/95/80/71/1072958071.db2.gz NJVHQAPVGMTGJF-RPPGKUMJSA-N -1 0 535.765 6.289 40 30 KKEBRM COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCC(=O)[O-] ZINC000409211374 1072962164 /nfs/dbraw/zinc/96/21/64/1072962164.db2.gz LQADGTJCTWBSIM-ZMOGYAJESA-N -1 0 503.292 5.306 40 30 KKEBRM O=C([O-])COc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409210956 1072963590 /nfs/dbraw/zinc/96/35/90/1072963590.db2.gz LZELEANSWMAVKW-WYMPLXKRSA-N -1 0 505.162 6.218 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531209821 1072967828 /nfs/dbraw/zinc/96/78/28/1072967828.db2.gz GWSWEJUUUGWCTP-CPDSRJINSA-N -1 0 613.306 6.378 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001531215005 1072969748 /nfs/dbraw/zinc/96/97/48/1072969748.db2.gz NFMONPJGTSREOM-WCHZNGNQSA-N -1 0 565.468 5.598 40 30 KKEBRM C[C@H](Oc1c(I)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-] ZINC001531217806 1072971429 /nfs/dbraw/zinc/97/14/29/1072971429.db2.gz MYONVZYPGCAQPK-WQBBPGTOSA-N -1 0 724.131 5.400 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531224040 1072972711 /nfs/dbraw/zinc/97/27/11/1072972711.db2.gz NJGJMLNWNOXSST-DMWKKASYSA-N -1 0 736.255 7.540 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531226799 1072975280 /nfs/dbraw/zinc/97/52/80/1072975280.db2.gz DDFGMOJBKQJBKB-ZNIRGWDNSA-N -1 0 613.306 6.594 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531226867 1072976223 /nfs/dbraw/zinc/97/62/23/1072976223.db2.gz LXJXFCQZFRQCOY-IPPBACCNSA-N -1 0 554.828 5.924 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531229536 1072978043 /nfs/dbraw/zinc/97/80/43/1072978043.db2.gz ANWFKLVDDKDALI-WGNGTQIVSA-N -1 0 613.306 6.594 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC001531231369 1072981880 /nfs/dbraw/zinc/98/18/80/1072981880.db2.gz DUOVINHYEYLULH-ROPCREHHSA-N -1 0 736.255 7.585 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC001531235881 1072989117 /nfs/dbraw/zinc/98/91/17/1072989117.db2.gz FKYHTQYQVJMUSS-IJWZPVHRSA-N -1 0 536.810 5.069 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409222436 1072992759 /nfs/dbraw/zinc/99/27/59/1072992759.db2.gz XBKUWJOQNSTVDD-WGOQTCKBSA-N -1 0 563.075 6.944 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531242508 1072996730 /nfs/dbraw/zinc/99/67/30/1072996730.db2.gz NKWDVWANAHKECO-ZNIRGWDNSA-N -1 0 568.855 6.485 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531245005 1073000075 /nfs/dbraw/zinc/00/00/75/1073000075.db2.gz KCOLZGHSSIAGEL-XAZZYMPDSA-N -1 0 647.751 7.077 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC001531245013 1073000146 /nfs/dbraw/zinc/00/01/46/1073000146.db2.gz LEDRIAMLJLMQBB-FABQOPTDSA-N -1 0 613.512 6.678 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC001531255752 1073011002 /nfs/dbraw/zinc/01/10/02/1073011002.db2.gz LESLZAXPGQQZDF-YSKBPFQOSA-N -1 0 674.184 6.159 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC001531256579 1073014376 /nfs/dbraw/zinc/01/43/76/1073014376.db2.gz OTJIVIVRSBEVIF-YHHORUTKSA-N -1 0 542.430 5.144 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531268615 1073027874 /nfs/dbraw/zinc/02/78/74/1073027874.db2.gz MCURKSTZKCPFRB-UHRFHUGISA-N -1 0 557.448 6.256 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531268631 1073028198 /nfs/dbraw/zinc/02/81/98/1073028198.db2.gz PBVIYZNJXBRHJZ-JNKHFKFZSA-N -1 0 603.300 7.139 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531268654 1073028357 /nfs/dbraw/zinc/02/83/57/1073028357.db2.gz TUIXCKHETIBRBR-DESFHTRISA-N -1 0 630.131 5.932 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC001531268684 1073029195 /nfs/dbraw/zinc/02/91/95/1073029195.db2.gz XJOOBLNJDIIEIB-BUMKNRDJSA-N -1 0 643.332 6.603 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531269820 1073033282 /nfs/dbraw/zinc/03/32/82/1073033282.db2.gz LYLHKHVUCUJXJO-JNKHFKFZSA-N -1 0 603.300 7.139 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531269827 1073033379 /nfs/dbraw/zinc/03/33/79/1073033379.db2.gz MJEFQUDYQMLSSG-BNWUJJENSA-N -1 0 613.852 6.394 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c([O-])c(Br)c1 ZINC001531270130 1073034909 /nfs/dbraw/zinc/03/49/09/1073034909.db2.gz XGOIPPGCYJAGQO-ABTNGYCASA-N -1 0 513.617 5.676 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC001531275422 1073037132 /nfs/dbraw/zinc/03/71/32/1073037132.db2.gz MEHPPLSITZCDOP-JKPUNKBFSA-N -1 0 616.104 5.543 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC001531277940 1073043282 /nfs/dbraw/zinc/04/32/82/1073043282.db2.gz JCGZXUYUPZWSDR-IVWJEFBKSA-N -1 0 710.104 5.055 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC001531281974 1073045575 /nfs/dbraw/zinc/04/55/75/1073045575.db2.gz CXZYSGDMBCLZST-HMWNXKSVSA-N -1 0 642.288 5.410 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1O[C@H](C)C(=O)[O-] ZINC001531281975 1073045645 /nfs/dbraw/zinc/04/56/45/1073045645.db2.gz CXZYSGDMBCLZST-LMWSZNASSA-N -1 0 642.288 5.410 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531282423 1073048256 /nfs/dbraw/zinc/04/82/56/1073048256.db2.gz XJDHSLKVSWTINT-IPPBACCNSA-N -1 0 599.279 6.033 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531283182 1073048914 /nfs/dbraw/zinc/04/89/14/1073048914.db2.gz IKWLTAUTGFMQBX-BUMKNRDJSA-N -1 0 643.332 6.603 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531283357 1073051033 /nfs/dbraw/zinc/05/10/33/1073051033.db2.gz YQRVAVQQOVXPIR-UAMLYTHZSA-N -1 0 577.479 5.898 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531285279 1073053526 /nfs/dbraw/zinc/05/35/26/1073053526.db2.gz ONETYSXMBVEPMU-WGNGTQIVSA-N -1 0 609.433 5.749 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531291358 1073060260 /nfs/dbraw/zinc/06/02/60/1073060260.db2.gz MBKBGVWMFSXXNQ-XNJNRSFUSA-N -1 0 629.733 6.050 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001531292331 1073063311 /nfs/dbraw/zinc/06/33/11/1073063311.db2.gz MHMQZZJSVWMFIW-RWPZCVJISA-N -1 0 520.383 5.271 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409230686 1073068858 /nfs/dbraw/zinc/06/88/58/1073068858.db2.gz FLGUJHBVMRFYNM-VCUCLJMBSA-N -1 0 644.487 6.210 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531297260 1073071107 /nfs/dbraw/zinc/07/11/07/1073071107.db2.gz VLHNNYOEXHCMRG-AOAIAPAPSA-N -1 0 692.202 7.357 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001531303221 1073076369 /nfs/dbraw/zinc/07/63/69/1073076369.db2.gz IYUSHEIGYYBVSU-YPQDEONXSA-N -1 0 541.229 5.713 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531304620 1073082637 /nfs/dbraw/zinc/08/26/37/1073082637.db2.gz LYDTYCBLMQZVHX-VTNSRFBWSA-N -1 0 571.475 6.393 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531311747 1073088503 /nfs/dbraw/zinc/08/85/03/1073088503.db2.gz COZBLQAQBYFIQR-FJEPWZHXSA-N -1 0 613.306 6.424 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409243200 1073093518 /nfs/dbraw/zinc/09/35/18/1073093518.db2.gz QGMYKZPHZNNKMH-IDEODVPUSA-N -1 0 518.591 5.605 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531319233 1073097062 /nfs/dbraw/zinc/09/70/62/1073097062.db2.gz HNXJKDIUXXDNKZ-WKULSOCRSA-N -1 0 550.409 5.280 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531319434 1073098103 /nfs/dbraw/zinc/09/81/03/1073098103.db2.gz SGMQTMBKTWBSEP-YJDIGNJUSA-N -1 0 658.303 6.503 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531325462 1073100406 /nfs/dbraw/zinc/10/04/06/1073100406.db2.gz QOUMJJZHJKUFRZ-FJEPWZHXSA-N -1 0 609.433 5.578 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531325576 1073100904 /nfs/dbraw/zinc/10/09/04/1073100904.db2.gz VSGXNDYZZSUZJL-KPGMTVGESA-N -1 0 704.359 6.664 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC001531326634 1073106095 /nfs/dbraw/zinc/10/60/95/1073106095.db2.gz QCCTUDYQYJSPOU-ABBGQUIISA-N -1 0 571.653 5.434 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531326731 1073107137 /nfs/dbraw/zinc/10/71/37/1073107137.db2.gz UHFXZHJPAUEPQY-VVEOGCPPSA-N -1 0 633.724 6.687 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(=O)[O-])ccc2ccccc21 ZINC001531329134 1073110620 /nfs/dbraw/zinc/11/06/20/1073110620.db2.gz GGVQCGVTOBZFDY-MZJWZYIUSA-N -1 0 508.372 5.000 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC001531337305 1073122567 /nfs/dbraw/zinc/12/25/67/1073122567.db2.gz WMYPGSDZNGMBAG-UFOJXWSGSA-N -1 0 506.784 5.060 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531339338 1073124495 /nfs/dbraw/zinc/12/44/95/1073124495.db2.gz IZSUDDZAJKYMIF-WCMJOSRZSA-N -1 0 594.462 5.678 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531339542 1073126553 /nfs/dbraw/zinc/12/65/53/1073126553.db2.gz WTRATJDKDCMEDE-VFLNYLIXSA-N -1 0 599.825 5.833 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531347247 1073136387 /nfs/dbraw/zinc/13/63/87/1073136387.db2.gz WORWGCJCRSVMJO-ACLYYTTKSA-N -1 0 585.680 5.823 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531347250 1073136393 /nfs/dbraw/zinc/13/63/93/1073136393.db2.gz WORWGCJCRSVMJO-DESFHTRISA-N -1 0 585.680 5.823 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC001531351161 1073142473 /nfs/dbraw/zinc/14/24/73/1073142473.db2.gz MSVFVBNVFFZKHB-ZKJHFGPLSA-N -1 0 508.372 5.821 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC001531351407 1073143131 /nfs/dbraw/zinc/14/31/31/1073143131.db2.gz RPAKIKXDXOFUCP-ABBGQUIISA-N -1 0 527.202 5.325 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531384067 1073156036 /nfs/dbraw/zinc/15/60/36/1073156036.db2.gz UHSFDAIWSANJCL-DPNNOFEESA-N -1 0 598.453 6.384 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531384723 1073161642 /nfs/dbraw/zinc/16/16/42/1073161642.db2.gz LALOGMWIVNNPLG-MHDJOFBISA-N -1 0 618.871 6.647 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC001531384955 1073162828 /nfs/dbraw/zinc/16/28/28/1073162828.db2.gz PJGQSNCLPQHXQN-WCMJOSRZSA-N -1 0 599.397 5.894 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531385415 1073166753 /nfs/dbraw/zinc/16/67/53/1073166753.db2.gz XAZJARKJDBKEAM-KCSSXMTESA-N -1 0 564.554 5.530 40 30 KKEBRM Cc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001531385691 1073169636 /nfs/dbraw/zinc/16/96/36/1073169636.db2.gz XXNCZOKGTQWIEP-KLHGDHNKSA-N -1 0 506.562 5.205 40 30 KKEBRM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139079 1073184201 /nfs/dbraw/zinc/18/42/01/1073184201.db2.gz DKBSTBSSKJPASL-XMABCFHASA-N -1 0 719.216 5.912 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1O[C@H](C)C(=O)[O-] ZINC000409274912 1073304381 /nfs/dbraw/zinc/30/43/81/1073304381.db2.gz GSXOLIPTFXYCRM-OAHLLOKOSA-N -1 0 517.925 5.206 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409274677 1073308258 /nfs/dbraw/zinc/30/82/58/1073308258.db2.gz FPXHFFCQUSHUQI-UHFFFAOYSA-N -1 0 615.278 5.788 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409276705 1073328717 /nfs/dbraw/zinc/32/87/17/1073328717.db2.gz VIFNEZRJGDIQMI-UHFFFAOYSA-N -1 0 550.409 5.450 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409276326 1073331006 /nfs/dbraw/zinc/33/10/06/1073331006.db2.gz PSBCKCULKBIQEE-UHFFFAOYSA-N -1 0 529.394 5.305 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409276425 1073331955 /nfs/dbraw/zinc/33/19/55/1073331955.db2.gz QZNVIJXRZXCMQB-UHFFFAOYSA-N -1 0 643.332 6.387 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Br)cc1 ZINC000409275618 1073332898 /nfs/dbraw/zinc/33/28/98/1073332898.db2.gz KRDDRVJIPFTYBA-UHFFFAOYSA-N -1 0 707.762 8.148 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409287299 1073337455 /nfs/dbraw/zinc/33/74/55/1073337455.db2.gz ZYTCAONCMARDSH-UHFFFAOYSA-N -1 0 629.669 7.105 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)n([C@H](C)C(=O)[O-])c3ccccc23)cc1C(C)C ZINC000409287169 1073338231 /nfs/dbraw/zinc/33/82/31/1073338231.db2.gz YZFGVFUOEDXWHA-OAQYLSRUSA-N -1 0 536.632 6.295 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409287075 1073340838 /nfs/dbraw/zinc/34/08/38/1073340838.db2.gz YFKXNAKPXSEULW-UHFFFAOYSA-N -1 0 683.471 7.039 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409286556 1073344564 /nfs/dbraw/zinc/34/45/64/1073344564.db2.gz YXWWURGDAGOTJI-SFHVURJKSA-N -1 0 626.935 7.044 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409286425 1073346490 /nfs/dbraw/zinc/34/64/90/1073346490.db2.gz YPQGEHORLKTBCA-UHFFFAOYSA-N -1 0 605.670 6.043 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409286225 1073347513 /nfs/dbraw/zinc/34/75/13/1073347513.db2.gz ZIIFFGJBJOYXAN-UHFFFAOYSA-N -1 0 629.305 6.213 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409286093 1073349524 /nfs/dbraw/zinc/34/95/24/1073349524.db2.gz VOMNNPAIJWTAPS-UHFFFAOYSA-N -1 0 520.383 5.442 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409285352 1073356998 /nfs/dbraw/zinc/35/69/98/1073356998.db2.gz TZJUVYKWEWMYBA-UHFFFAOYSA-N -1 0 647.751 7.032 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409285420 1073357597 /nfs/dbraw/zinc/35/75/97/1073357597.db2.gz NPUJVGNFGDDQJB-UHFFFAOYSA-N -1 0 703.343 7.503 40 30 KKEBRM O=C([O-])COc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1 ZINC000409285449 1073357617 /nfs/dbraw/zinc/35/76/17/1073357617.db2.gz XEPYTXCCKUJJRH-UHFFFAOYSA-N -1 0 568.383 6.071 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409284122 1073372029 /nfs/dbraw/zinc/37/20/29/1073372029.db2.gz SNAGJURBSMXZDM-GOSISDBHSA-N -1 0 593.036 6.190 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409284165 1073372660 /nfs/dbraw/zinc/37/26/60/1073372660.db2.gz TYEWZNUCHYYGTG-UHFFFAOYSA-N -1 0 668.500 7.139 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc2n1CC(=O)[O-] ZINC000409283884 1073375615 /nfs/dbraw/zinc/37/56/15/1073375615.db2.gz QNTCQYSUMSFRSX-UHFFFAOYSA-N -1 0 555.388 5.802 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409283601 1073375909 /nfs/dbraw/zinc/37/59/09/1073375909.db2.gz RDKHXSSJJDDHQM-UHFFFAOYSA-N -1 0 604.501 6.353 40 30 KKEBRM C[C@@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409283187 1073380651 /nfs/dbraw/zinc/38/06/51/1073380651.db2.gz RFWLLUOZOIJXTJ-CQSZACIVSA-N -1 0 566.795 5.960 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409283206 1073381117 /nfs/dbraw/zinc/38/11/17/1073381117.db2.gz ONMSLKLTAATTJJ-UHFFFAOYSA-N -1 0 640.136 7.715 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409282900 1073384427 /nfs/dbraw/zinc/38/44/27/1073384427.db2.gz PNANDGTWEAKCPS-SFHVURJKSA-N -1 0 637.487 6.299 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)c1OCC(=O)[O-] ZINC000409282904 1073384448 /nfs/dbraw/zinc/38/44/48/1073384448.db2.gz PKYBATGQACQWHQ-UHFFFAOYSA-N -1 0 547.951 5.216 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409282747 1073385866 /nfs/dbraw/zinc/38/58/66/1073385866.db2.gz QHKMKNCMRCZGDP-UHFFFAOYSA-N -1 0 613.512 6.849 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)cc1C(C)C ZINC000409282591 1073387601 /nfs/dbraw/zinc/38/76/01/1073387601.db2.gz HJXFBWUXERYXQY-UHFFFAOYSA-N -1 0 549.627 7.043 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])c1 ZINC000409282705 1073389105 /nfs/dbraw/zinc/38/91/05/1073389105.db2.gz PJHNXUSNZFYRGZ-UHFFFAOYSA-N -1 0 588.498 6.150 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409282175 1073393059 /nfs/dbraw/zinc/39/30/59/1073393059.db2.gz MSKAEXZPCBZCKS-HNNXBMFYSA-N -1 0 566.397 6.249 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409282241 1073393841 /nfs/dbraw/zinc/39/38/41/1073393841.db2.gz GKVSGRGIJPCECC-HNNXBMFYSA-N -1 0 562.376 5.315 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409281594 1073399514 /nfs/dbraw/zinc/39/95/14/1073399514.db2.gz NAXKXQBXRKZWLY-IBGZPJMESA-N -1 0 592.490 6.391 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409281674 1073401091 /nfs/dbraw/zinc/40/10/91/1073401091.db2.gz NTJWVRFWCDRMED-GOSISDBHSA-N -1 0 578.463 6.001 40 30 KKEBRM CC(C)=CCC[C@]1(C)C[C@H](O)c2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)[O-])C4=O)C3=O ZINC000252479719 291539061 /nfs/dbraw/zinc/53/90/61/291539061.db2.gz BLDWFKHVHHINGR-UGWGQSSGSA-N -1 0 646.777 6.650 40 30 biogenic,in-vitro KKEBRM CO[C@@H](C(=O)c1c(=O)c2c(c3c(O)c4c([O-])cc5c(c4oc1-3)C=CC(C)(C)O5)CCCC2)[C@@H](C)CCC=C(C)C ZINC000001661164 551688333 /nfs/dbraw/zinc/68/83/33/551688333.db2.gz MMYDZXDNKCPDCM-XRIGCXDJSA-N -1 0 546.660 6.442 40 30 KKEBRM Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4[O-])c3C)nc2c1 ZINC000001883303 551724834 /nfs/dbraw/zinc/72/48/34/551724834.db2.gz CRGPCEFWKKPYPP-OPEKNORGSA-N -1 0 500.190 7.093 40 30 KKEBRM COc1cc(Cl)c(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000002080472 551751253 /nfs/dbraw/zinc/75/12/53/551751253.db2.gz HJOUILIFUHFNSR-KWKYFYOMSA-N -1 0 508.983 5.860 40 30 KKEBRM Cc1cc2c(cc1C)[n+]([O-])c(C([O-])=CC(=NOCCCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl)c(C)[n+]2[O-] ZINC000005722552 552507406 /nfs/dbraw/zinc/50/74/06/552507406.db2.gz YFRWWXADKVLGFE-NQUVTRGKSA-N -1 0 595.483 5.556 40 30 KKEBRM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000005921418 552512684 /nfs/dbraw/zinc/51/26/84/552512684.db2.gz JHASIQVCTPXEJA-QHCPKHFHSA-N -1 0 536.378 5.417 40 30 KKEBRM COc1ccc(C(C)N=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)cc1 ZINC000008935065 553193260 /nfs/dbraw/zinc/19/32/60/553193260.db2.gz XRQCJDVPNUTPAW-BRJLIKDPSA-N -1 0 506.198 5.527 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccc(F)cc3)o2)c(C)c1 ZINC000012654702 553410392 /nfs/dbraw/zinc/41/03/92/553410392.db2.gz UHXWYJLGRKVHHW-JFLMPSFJSA-N -1 0 508.531 5.858 40 30 KKEBRM COc1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000016195946 553556663 /nfs/dbraw/zinc/55/66/63/553556663.db2.gz QDQNGTHSAPMFOE-BRJLIKDPSA-N -1 0 510.300 5.821 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2ccccc2c1C#N ZINC000016268283 553557994 /nfs/dbraw/zinc/55/79/94/553557994.db2.gz JMIUWFBQWJVPAM-RGVLZGJSSA-N -1 0 500.967 5.500 40 30 KKEBRM CSc1nc([N-]S(=O)(=O)c2ccc(C)cc2)c(C#N)c(-c2ccc(Cl)cc2)c1Br ZINC000016310413 553559762 /nfs/dbraw/zinc/55/97/62/553559762.db2.gz FSSIYBZIGHRTRL-UHFFFAOYSA-N -1 0 508.850 5.867 40 30 KKEBRM CCOc1cc(-c2nc3cc(C)ccn3c2/N=C/c2ccc(-c3cc(Cl)ccc3C(=O)[O-])o2)ccc1O ZINC000016688799 553573194 /nfs/dbraw/zinc/57/31/94/553573194.db2.gz OPCLRMMCFYQMMJ-FJEPWZHXSA-N -1 0 515.953 6.776 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000070699703 553616886 /nfs/dbraw/zinc/61/68/86/553616886.db2.gz LDEPIPTXRUTPCM-QUDSVOGZSA-N -1 0 559.707 5.142 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000079221241 553671867 /nfs/dbraw/zinc/67/18/67/553671867.db2.gz PYMRPIRPJGSGSS-RTVRCPPWSA-N -1 0 745.914 5.112 40 30 KKEBRM COC(=O)C(=C([O-])C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1csc(-n2nc(C3=CCCCC3)cc2-c2ccccc2)n1 ZINC000082175277 553674519 /nfs/dbraw/zinc/67/45/19/553674519.db2.gz UIBISCTXYRHCFE-XMMPIXPASA-N -1 0 640.505 7.282 40 30 KKEBRM CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3cc(C(=O)N[C@H](C(=O)[O-])C(C)C)ccc3[nH]c1-2 ZINC000085340959 553678271 /nfs/dbraw/zinc/67/82/71/553678271.db2.gz WFWAWHOKUJPMQQ-VWLOTQADSA-N -1 0 509.647 6.107 40 30 biogenic,in-vitro KKEBRM CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc3[nH]c1-2 ZINC000085340961 553678542 /nfs/dbraw/zinc/67/85/42/553678542.db2.gz WFWAWHOKUJPMQQ-RUZDIDTESA-N -1 0 509.647 6.107 40 30 biogenic,in-vitro KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000085907093 553691736 /nfs/dbraw/zinc/69/17/36/553691736.db2.gz ASDBHPOHBLHBDB-DIHOGRDQSA-N -1 0 520.670 5.469 40 30 KKEBRM CCCCCCCCN1C(=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 ZINC000094303222 553696060 /nfs/dbraw/zinc/69/60/60/553696060.db2.gz WZGXSNHXTGGEGJ-JAXJLEIYSA-N -1 0 826.122 9.529 40 30 in-vitro KKEBRM CCCCCCCCCCOc1ccc(C(=O)c2ccc(OCCCCCCCCCC)cc2[O-])cc1 ZINC000095762564 553713210 /nfs/dbraw/zinc/71/32/10/553713210.db2.gz JQKWGPZNJCEJDY-UHFFFAOYSA-N -1 0 510.759 9.662 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000022829613 553754474 /nfs/dbraw/zinc/75/44/74/553754474.db2.gz DCOWHQMIPFAPCA-YDJQKXNPSA-N -1 0 505.574 7.964 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1 ZINC000029492962 553846010 /nfs/dbraw/zinc/84/60/10/553846010.db2.gz XWCGUMKLFJLFSM-PPFNPFNJSA-N -1 0 591.693 7.928 40 30 KKEBRM C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000097958834 553857997 /nfs/dbraw/zinc/85/79/97/553857997.db2.gz PVFWNDCJWMGJRH-CJLVFECKSA-N -1 0 549.421 5.105 40 30 KKEBRM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032114460 553863735 /nfs/dbraw/zinc/86/37/35/553863735.db2.gz XNEZBAFQJYSYSV-KVSWJAHQSA-N -1 0 512.190 8.174 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)o2)ccc1Cl ZINC000032124781 553865988 /nfs/dbraw/zinc/86/59/88/553865988.db2.gz WDFIXNYZKJRFNL-NEQGSXNKSA-N -1 0 507.011 7.235 40 30 KKEBRM COc1cccc(/C=C2/S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000097972266 553966374 /nfs/dbraw/zinc/96/63/74/553966374.db2.gz ZKWRSAZOGPVCGU-ASSSFMKVSA-N -1 0 559.644 5.043 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000097972269 553966409 /nfs/dbraw/zinc/96/64/09/553966409.db2.gz NLULAWHHHHCZGD-UCQKPKSFSA-N -1 0 534.971 6.692 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1Br ZINC000097980706 553990658 /nfs/dbraw/zinc/99/06/58/553990658.db2.gz BQVCNQHJPNBRTN-UCQKPKSFSA-N -1 0 519.377 5.003 40 30 KKEBRM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(N/N=C2\SC(=N)N=C2c2cc(C)c(C)cc2C)cc1 ZINC000097982646 554004405 /nfs/dbraw/zinc/00/44/05/554004405.db2.gz IIGWIQYYMKUEJG-PRPDNSBASA-N -1 0 600.564 6.470 40 30 KKEBRM O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097984543 554017537 /nfs/dbraw/zinc/01/75/37/554017537.db2.gz YIMOBYNFMRGPBN-JVCXMKTPSA-N -1 0 582.425 5.500 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000035656353 554061987 /nfs/dbraw/zinc/06/19/87/554061987.db2.gz JSMYTXPCJWHPBR-AQZODRKESA-N -1 0 513.575 5.468 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000035669497 554062304 /nfs/dbraw/zinc/06/23/04/554062304.db2.gz HPGDEEYZZTWVEA-KWKYFYOMSA-N -1 0 508.983 5.860 40 30 KKEBRM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1C ZINC000100236198 554258289 /nfs/dbraw/zinc/25/82/89/554258289.db2.gz BGEBKZPOSPZZSS-IRZKTLQQSA-N -1 0 582.638 6.513 40 30 KKEBRM CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000100252035 554262962 /nfs/dbraw/zinc/26/29/62/554262962.db2.gz PSZKOPDUGDHFQL-OEAKJJBVSA-N -1 0 553.434 6.017 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1[O-] ZINC000100297664 554289106 /nfs/dbraw/zinc/28/91/06/554289106.db2.gz JIRHRCTZJGIPKA-KVAAJVFYSA-N -1 0 568.416 8.910 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000100298373 554289346 /nfs/dbraw/zinc/28/93/46/554289346.db2.gz GDJAGUKTMLZJAP-KVSWJAHQSA-N -1 0 556.641 8.283 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1[O-] ZINC000100299883 554290639 /nfs/dbraw/zinc/29/06/39/554290639.db2.gz AKUXPUBUUPULEA-DPNNOFEESA-N -1 0 533.971 8.257 40 30 KKEBRM O=C(C1=C([O-])C2C(=N1)Oc1c3ccccc3oc(=O)c1[C@@H]2c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000100351054 554331095 /nfs/dbraw/zinc/33/10/95/554331095.db2.gz VUKNQMRCYLBZAD-DENIHFKCSA-N -1 0 593.227 5.478 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000059135610 554381593 /nfs/dbraw/zinc/38/15/93/554381593.db2.gz RSMAHCAQEVBZSX-PCLIKHOPSA-N -1 0 514.553 5.711 40 30 KKEBRM COc1ccc(C(=O)/C=C/C(=O)N(Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c([O-])c1 ZINC000100415598 554381904 /nfs/dbraw/zinc/38/19/04/554381904.db2.gz SSUAVZSGDAIOQV-WYJAOCDSSA-N -1 0 550.652 5.559 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2)cc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCCCC3)n2)c1[O-] ZINC000059417913 554393761 /nfs/dbraw/zinc/39/37/61/554393761.db2.gz KPUQEWSHPOJWKP-VUTHCHCSSA-N -1 0 524.585 5.256 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474808 554396701 /nfs/dbraw/zinc/39/67/01/554396701.db2.gz PJFXPUFNPQQFAO-FOKLQQMPSA-N -1 0 509.525 5.300 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 ZINC000100460261 554397544 /nfs/dbraw/zinc/39/75/44/554397544.db2.gz XWBPIDGAOCMUJP-XMEUFVCPSA-N -1 0 555.939 9.594 40 30 KKEBRM CCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100494969 554403906 /nfs/dbraw/zinc/40/39/06/554403906.db2.gz ZABYUUKXPSATEJ-UHFFFAOYSA-N -1 0 547.249 6.692 40 30 KKEBRM CC(C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000100495658 554404349 /nfs/dbraw/zinc/40/43/49/554404349.db2.gz IKPQBUXSKGSSOZ-UHFFFAOYSA-N -1 0 571.630 6.425 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000100502876 554406371 /nfs/dbraw/zinc/40/63/71/554406371.db2.gz QHMWWJMBWRQDRN-YSURURNPSA-N -1 0 584.126 6.299 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000059598255 554409162 /nfs/dbraw/zinc/40/91/62/554409162.db2.gz NDJYWBASLXHPJK-SLOBHAQXSA-N -1 0 523.010 6.168 40 30 KKEBRM CCOc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccc(OC)cc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100529619 554410514 /nfs/dbraw/zinc/41/05/14/554410514.db2.gz FYDHCJGJHUGYQN-QCWLDUFUSA-N -1 0 542.577 5.345 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000100561513 554418107 /nfs/dbraw/zinc/41/81/07/554418107.db2.gz GDFLKWSTGKOTHT-HXUWFJFHSA-N -1 0 547.283 6.159 40 30 KKEBRM C[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@@H]1O ZINC000100570923 554421845 /nfs/dbraw/zinc/42/18/45/554421845.db2.gz FMRFCBBDHDGKKZ-MANRZTMESA-N -1 0 600.837 6.294 40 30 KKEBRM COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@H]5SC(=O)[N-]C5=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690873 554424866 /nfs/dbraw/zinc/42/48/66/554424866.db2.gz NAXBQOBKRFCYKY-GHIMGNIWSA-N -1 0 640.887 7.602 40 30 KKEBRM Cc1ccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(/N=C\c2cc(Br)ccc2O)c1 ZINC000100722449 554456040 /nfs/dbraw/zinc/45/60/40/554456040.db2.gz SDOUSYDPCPDKSX-YVNNLAQVSA-N -1 0 516.264 5.682 40 30 KKEBRM COc1ccc(-c2nc3cc(/N=C/c4c([O-])cc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3o2)cc1Br ZINC000100922977 554522946 /nfs/dbraw/zinc/52/29/46/554522946.db2.gz MRWOPFDTMAUUBW-AUEPDCJTSA-N -1 0 513.260 5.539 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100931226 554527615 /nfs/dbraw/zinc/52/76/15/554527615.db2.gz CVTYFZYTYDISKC-RJRBAZHUSA-N -1 0 568.405 5.868 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100937980 554531363 /nfs/dbraw/zinc/53/13/63/554531363.db2.gz QZRQXDZGTMCDKO-FKULMYBFSA-N -1 0 543.428 6.513 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938779 554531595 /nfs/dbraw/zinc/53/15/95/554531595.db2.gz OYSIGUBPLNVOFG-OQTNSEPCSA-N -1 0 547.847 7.158 40 30 KKEBRM Cc1ccccc1/N=C1\S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1c1ccccc1C ZINC000101014336 554558948 /nfs/dbraw/zinc/55/89/48/554558948.db2.gz QGBMUHRWYLWLEL-BXHPTCRHSA-N -1 0 558.295 7.343 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OC ZINC000101014905 554559098 /nfs/dbraw/zinc/55/90/98/554559098.db2.gz GUWWJEKQLNTFKD-SHMWJOFESA-N -1 0 577.853 8.620 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1OCC ZINC000101015210 554559738 /nfs/dbraw/zinc/55/97/38/554559738.db2.gz MCBFUVSVVPZRNA-APKNFXDQSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OCC ZINC000101015259 554559778 /nfs/dbraw/zinc/55/97/78/554559778.db2.gz CDWMJEPHVPCEIY-OKQBEAEQSA-N -1 0 541.735 7.240 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1OCC ZINC000101015214 554559784 /nfs/dbraw/zinc/55/97/84/554559784.db2.gz MCBFUVSVVPZRNA-WOFNNVGYSA-N -1 0 507.718 6.524 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccnc2)cc1F ZINC000102625866 554987956 /nfs/dbraw/zinc/98/79/56/554987956.db2.gz GBUDZVZFBRXHDA-RUZDIDTESA-N -1 0 584.654 6.309 40 30 KKEBRM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc21 ZINC000102626316 554988252 /nfs/dbraw/zinc/98/82/52/554988252.db2.gz LNKPOMSDWHNMKW-UHFFFAOYSA-N -1 0 554.621 6.739 40 30 KKEBRM N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102917591 555144414 /nfs/dbraw/zinc/14/44/14/555144414.db2.gz XBUSUHDJJXJPTO-GGXMVOPNSA-N -1 0 500.510 5.144 40 30 KKEBRM CCOc1ccc2nc(NC(=O)/C(CC(=O)C[C@H](c3ccccc3)C3C(=O)Cc4ccccc4C3=O)=N\[O-])sc2c1 ZINC000102921785 555146944 /nfs/dbraw/zinc/14/69/44/555146944.db2.gz LKCZJXYPGIUBTK-YPLXNZHTSA-N -1 0 569.639 5.691 40 30 KKEBRM CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000102971228 555181684 /nfs/dbraw/zinc/18/16/84/555181684.db2.gz CPCNFWDGRXBVBZ-TWKHWXDSSA-N -1 0 559.648 5.877 40 30 KKEBRM CC(N=Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000102983596 555189493 /nfs/dbraw/zinc/18/94/93/555189493.db2.gz AHRMLWJOKSMJKE-MUFRIFMGSA-N -1 0 566.064 7.093 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2cccnc2)c([N+](=O)[O-])c1 ZINC000102983861 555189654 /nfs/dbraw/zinc/18/96/54/555189654.db2.gz WJHBMWBSFFYGDS-UXHLAJHPSA-N -1 0 569.603 5.098 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OC)c1OCc1ccccc1 ZINC000103845240 571363036 /nfs/dbraw/zinc/36/30/36/571363036.db2.gz RXTUWSDJMATCID-KOEQRZSOSA-N -1 0 556.615 5.467 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103850699 571364616 /nfs/dbraw/zinc/36/46/16/571364616.db2.gz RQGBIDPIRLBKOP-CIAFOILYSA-N -1 0 555.389 6.115 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103850570 571364689 /nfs/dbraw/zinc/36/46/89/571364689.db2.gz WGECPNBCXAEJTA-LPYMAVHISA-N -1 0 525.363 6.106 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000103850749 571364793 /nfs/dbraw/zinc/36/47/93/571364793.db2.gz FTUDZQAUXOWARF-HZHRSRAPSA-N -1 0 534.971 5.852 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103852840 571365629 /nfs/dbraw/zinc/36/56/29/571365629.db2.gz ZDKOVVIYZBSWJY-CPNJWEJPSA-N -1 0 541.431 6.271 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103875043 571368363 /nfs/dbraw/zinc/36/83/63/571368363.db2.gz HCAQGHPHZMLGGI-VHOCVAHHSA-N -1 0 534.081 7.382 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103875255 571368382 /nfs/dbraw/zinc/36/83/82/571368382.db2.gz RNSYUIQYWYJBBM-VHOCVAHHSA-N -1 0 540.129 7.383 40 30 KKEBRM CCCCCCCCCCCCC/C=C/C[C@@H](CC(=O)Nc1ccc(-n2c(=O)cc(C)n2C)cc1)C(=O)[O-] ZINC000104110417 571374083 /nfs/dbraw/zinc/37/40/83/571374083.db2.gz LBKWDAMNKQXDKG-ZOGILVBSSA-N -1 0 525.734 7.161 40 30 KKEBRM CCOc1cc(Br)c(Br)c(/C=N/c2c(Br)cc([O-])cc2Br)c1O ZINC000105999509 571409996 /nfs/dbraw/zinc/40/99/96/571409996.db2.gz BHCFBOXJWNUXBI-CGOBSMCZSA-N -1 0 572.873 6.297 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccc(F)cc2)c1 ZINC000110040012 571430439 /nfs/dbraw/zinc/43/04/39/571430439.db2.gz GLORORWVUWHTDY-UHFFFAOYSA-N -1 0 545.651 6.565 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000110717741 571431721 /nfs/dbraw/zinc/43/17/21/571431721.db2.gz IPTGYWSWNIRHQE-KPBLUWHNSA-N -1 0 567.461 6.359 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000110720372 571431725 /nfs/dbraw/zinc/43/17/25/571431725.db2.gz NOITWZSBZMUQRD-WOAKAZFHSA-N -1 0 601.906 7.012 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110727462 571431738 /nfs/dbraw/zinc/43/17/38/571431738.db2.gz BRPMGEBDQYXSIN-WOAKAZFHSA-N -1 0 601.906 7.012 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110722639 571431751 /nfs/dbraw/zinc/43/17/51/571431751.db2.gz UIURAJDGCJCTHE-WSCLTDIXSA-N -1 0 537.435 6.350 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000110723192 571431759 /nfs/dbraw/zinc/43/17/59/571431759.db2.gz PYSSOFBLZPPHTM-GFDYYOTESA-N -1 0 615.933 7.402 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000110722372 571431763 /nfs/dbraw/zinc/43/17/63/571431763.db2.gz GVHITKJTFOUKEA-GSYGROADSA-N -1 0 537.037 6.640 40 30 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572140798 /nfs/dbraw/zinc/14/07/98/572140798.db2.gz QFDNGNBSMJPXHH-ITSBEGBXSA-N -1 0 642.928 7.632 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Br ZINC000408528688 572165678 /nfs/dbraw/zinc/16/56/78/572165678.db2.gz DZFKVDYJXHLRRL-AUWJEWJLSA-N -1 0 546.624 5.220 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408531268 572175033 /nfs/dbraw/zinc/17/50/33/572175033.db2.gz LNGPQNGKBFMJQI-GLACDVFLSA-N -1 0 613.135 8.441 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408538096 572196970 /nfs/dbraw/zinc/19/69/70/572196970.db2.gz IZTSAIBLFQKZHZ-KGENOOAVSA-N -1 0 547.479 7.106 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408538645 572199043 /nfs/dbraw/zinc/19/90/43/572199043.db2.gz AYWSWTNCHHZHSD-JWGURIENSA-N -1 0 573.086 6.552 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000408538685 572199064 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C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@H](O)[C@@H]1O ZINC000252394294 572260266 /nfs/dbraw/zinc/26/02/66/572260266.db2.gz FMRFCBBDHDGKKZ-NHXIQZTNSA-N -1 0 600.837 6.294 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)[O-])o1 ZINC000408630743 572286613 /nfs/dbraw/zinc/28/66/13/572286613.db2.gz ATIDOYVCTHSIBO-FMCGGJTJSA-N -1 0 519.966 6.067 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1OCC ZINC000408631697 572287822 /nfs/dbraw/zinc/28/78/22/572287822.db2.gz AOULXJDMZPRLHW-ZHZULCJRSA-N -1 0 518.422 5.900 40 30 KKEBRM CCn1c(S/C(=C\c2ccccc2OCc2ccccc2C#N)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632469 572288878 /nfs/dbraw/zinc/28/88/78/572288878.db2.gz JBSIWAAJEFFCRO-YSMPRRRNSA-N -1 0 542.617 5.651 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OCc4ccc(C#N)cc4)cc3)C(=O)[O-])n[nH]2)c1 ZINC000408632727 572289120 /nfs/dbraw/zinc/28/91/20/572289120.db2.gz 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0 691.285 5.481 40 30 KKEBRM C=CCOc1c(I)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1I ZINC000408633627 572290332 /nfs/dbraw/zinc/29/03/32/572290332.db2.gz KZFNRQVWCDIXKJ-YBEGLDIGSA-N -1 0 605.191 5.820 40 30 KKEBRM N#Cc1ccccc1COc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1Br ZINC000408633659 572290469 /nfs/dbraw/zinc/29/04/69/572290469.db2.gz LJCWXNJHPNSVEF-UUYOSTAYSA-N -1 0 567.852 6.556 40 30 KKEBRM CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408633882 572290738 /nfs/dbraw/zinc/29/07/38/572290738.db2.gz QFXBYCSJEUPUNZ-MUXKCCDJSA-N -1 0 586.670 6.049 40 30 KKEBRM CCn1c(S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633976 572290821 /nfs/dbraw/zinc/29/08/21/572290821.db2.gz QNVCXADOAHGPBD-YSMPRRRNSA-N -1 0 540.048 6.711 40 30 KKEBRM CCOc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408634078 572290930 /nfs/dbraw/zinc/29/09/30/572290930.db2.gz ORLPYGQFNCGPBA-OYKKKHCWSA-N -1 0 533.009 6.192 40 30 KKEBRM CCn1c(S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634294 572291236 /nfs/dbraw/zinc/29/12/36/572291236.db2.gz TZMSHPOBLGYDDL-MBTHVWNTSA-N -1 0 565.655 6.075 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408634431 572291515 /nfs/dbraw/zinc/29/15/15/572291515.db2.gz RCTJXRZMWHYCLP-PCLIKHOPSA-N -1 0 521.038 7.140 40 30 KKEBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[O-])o2)c1 ZINC000408634919 572291942 /nfs/dbraw/zinc/29/19/42/572291942.db2.gz XZJLTERSCPGNBD-VROXFSQNSA-N -1 0 594.443 6.185 40 30 KKEBRM N#Cc1ccc(Cn2cc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])c3ccccc32)cc1 ZINC000408634957 572292042 /nfs/dbraw/zinc/29/20/42/572292042.db2.gz VTTVWMBWWIZXKC-CFRMEGHHSA-N -1 0 512.978 6.482 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000254397566 572302505 /nfs/dbraw/zinc/30/25/05/572302505.db2.gz XFVXSKSZWRHOIJ-LJQANCHMSA-N -1 0 540.019 8.617 40 30 KKEBRM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1cc(I)c([O-])c(I)c1 ZINC000257345111 572320272 /nfs/dbraw/zinc/32/02/72/572320272.db2.gz WQQQSPMUCRLDSK-AMGCXMNESA-N -1 0 658.362 6.700 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(C(=O)c5ccccc5)cc4)c3=O)n2)cc1 ZINC000097958648 1069690741 /nfs/dbraw/zinc/69/07/41/1069690741.db2.gz GATBBMCCSYIVOT-MJPNWULPSA-N -1 0 557.635 6.269 40 30 KKEBRM CCOC(=O)c1c(/N=C\c2cc(Br)cc(Br)c2[O-])sc2c1CCN(Cc1ccccc1)C2 ZINC000103776610 1069711904 /nfs/dbraw/zinc/71/19/04/1069711904.db2.gz PGVDKVPYESUCEH-PPDIBHTLSA-N -1 0 578.326 6.464 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Br ZINC000408749480 1069737224 /nfs/dbraw/zinc/73/72/24/1069737224.db2.gz PFXBJNQLTAXYOQ-LHHJGKSTSA-N -1 0 581.069 5.873 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408932069 1069756174 /nfs/dbraw/zinc/75/61/74/1069756174.db2.gz SRYMRPYOKMRBRA-SVXGEDGSSA-N -1 0 675.476 5.697 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088139 1069772268 /nfs/dbraw/zinc/77/22/68/1069772268.db2.gz DQLUABMFBHOEQE-UHFFFAOYSA-N -1 0 677.072 7.838 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409089438 1069775819 /nfs/dbraw/zinc/77/58/19/1069775819.db2.gz MKULVLOEVFYSAR-UHFFFAOYSA-N -1 0 603.628 6.456 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408768031 1069869490 /nfs/dbraw/zinc/86/94/90/1069869490.db2.gz SDAYDZZASFYMOH-BUVRLJJBSA-N -1 0 545.433 6.040 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(C4CCCCC4)C3=O)cc2)c1 ZINC000408776676 1069882665 /nfs/dbraw/zinc/88/26/65/1069882665.db2.gz QACKBVDSIVJLSW-UQLAIIKNSA-N -1 0 512.631 6.901 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408779317 1069899835 /nfs/dbraw/zinc/89/98/35/1069899835.db2.gz VAVRXPJWGAQQRN-LFVJCYFKSA-N -1 0 514.553 5.507 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408779823 1069901535 /nfs/dbraw/zinc/90/15/35/1069901535.db2.gz LNPSPJJDVLLCLG-NOZLNSQSSA-N -1 0 579.516 6.617 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408781278 1069903874 /nfs/dbraw/zinc/90/38/74/1069903874.db2.gz BDVJVVQGDKYVFH-AFUMVMLFSA-N -1 0 554.599 5.405 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408782775 1069908427 /nfs/dbraw/zinc/90/84/27/1069908427.db2.gz JHALEJZXSCQVHM-FYJGNVAPSA-N -1 0 541.818 6.621 40 30 KKEBRM COc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1Br ZINC000408788933 1069917712 /nfs/dbraw/zinc/91/77/12/1069917712.db2.gz GNQHVAUKZQCIMD-XJJUFAKPSA-N -1 0 526.206 5.152 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408794603 1069926432 /nfs/dbraw/zinc/92/64/32/1069926432.db2.gz JAEHZIOFHNBZQJ-XRSQTDOXSA-N -1 0 591.900 7.557 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)S2)c1 ZINC000408816806 1069973090 /nfs/dbraw/zinc/97/30/90/1069973090.db2.gz MEZJZPJOUZAGOX-KSEXSDGBSA-N -1 0 522.413 6.586 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408833341 1070022048 /nfs/dbraw/zinc/02/20/48/1070022048.db2.gz JJNBQAVIMMFYBC-ZSOIEALJSA-N -1 0 618.733 5.041 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408833706 1070031394 /nfs/dbraw/zinc/03/13/94/1070031394.db2.gz SFWZASJQBCRLJM-LPYMAVHISA-N -1 0 642.833 5.211 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408863071 1070079265 /nfs/dbraw/zinc/07/92/65/1070079265.db2.gz KQFWMQSXJGGKOY-BUGKFGNISA-N -1 0 624.472 6.229 40 30 KKEBRM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)S/C1=N\c1ccccc1 ZINC000408863329 1070079698 /nfs/dbraw/zinc/07/96/98/1070079698.db2.gz NBPNKFQDJZOSNN-UDHJNNCSSA-N -1 0 529.456 6.095 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408859711 1070076103 /nfs/dbraw/zinc/07/61/03/1070076103.db2.gz YIBWAQAWTTYYFH-ZVHZXABRSA-N -1 0 579.878 6.693 40 30 KKEBRM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000408873562 1070099106 /nfs/dbraw/zinc/09/91/06/1070099106.db2.gz SAXNLMWJCSIKJA-NUQRNILOSA-N -1 0 563.417 6.088 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408903563 1070187125 /nfs/dbraw/zinc/18/71/25/1070187125.db2.gz ZTJOVYUGBJOYMY-LFVJCYFKSA-N -1 0 517.628 6.107 40 30 KKEBRM CC[C@@H](C)N1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408912618 1070190130 /nfs/dbraw/zinc/19/01/30/1070190130.db2.gz OEZVVGKGDJOGTQ-JSQGZCSTSA-N -1 0 524.278 6.628 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408908392 1070194178 /nfs/dbraw/zinc/19/41/78/1070194178.db2.gz CEWAOVKZTKHSSJ-SYCUJBBPSA-N -1 0 567.461 6.347 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408911381 1070203846 /nfs/dbraw/zinc/20/38/46/1070203846.db2.gz JCJXAKFJBXIFLB-NVHABHRXSA-N -1 0 519.417 5.107 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408910723 1070202600 /nfs/dbraw/zinc/20/26/00/1070202600.db2.gz XVDSUFPYLNSXKX-SAVQBQSISA-N -1 0 628.488 6.519 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)N2CCc2ccccc2)cc1 ZINC000408911959 1070205413 /nfs/dbraw/zinc/20/54/13/1070205413.db2.gz LEYZJTNEWWAEHA-RLRMVDLFSA-N -1 0 666.322 6.757 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2C2CCCCC2)cc1 ZINC000408915769 1070217356 /nfs/dbraw/zinc/21/73/56/1070217356.db2.gz ZVWMKZYGVOJORQ-VOYPSTMSSA-N -1 0 550.316 7.162 40 30 KKEBRM CCOc1c(I)cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408916300 1070219500 /nfs/dbraw/zinc/21/95/00/1070219500.db2.gz BKGOZCJLTJPENI-DDTAAGGZSA-N -1 0 614.461 6.201 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408919098 1070234533 /nfs/dbraw/zinc/23/45/33/1070234533.db2.gz SOTNNQWEPAZXQV-ZWRUBHQPSA-N -1 0 579.472 6.525 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408931096 1070262228 /nfs/dbraw/zinc/26/22/28/1070262228.db2.gz HCXZBEIJGWYSHN-UVLAQCEQSA-N -1 0 606.498 6.539 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408932826 1070263907 /nfs/dbraw/zinc/26/39/07/1070263907.db2.gz ZNLNNXQEHUPOLO-CVNFHIKOSA-N -1 0 582.034 6.466 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408932996 1070264343 /nfs/dbraw/zinc/26/43/43/1070264343.db2.gz GKTRAJLTWCKQBP-WOAKAZFHSA-N -1 0 601.906 6.931 40 30 KKEBRM CC[C@H](C)Oc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1Br ZINC000408933076 1070264415 /nfs/dbraw/zinc/26/44/15/1070264415.db2.gz HGRKFFXTZVBFCL-HRSZKWGZSA-N -1 0 503.418 5.867 40 30 KKEBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(C(=O)[O-])c4C)N(C)C3=O)c2C)cc1 ZINC000408933139 1070264839 /nfs/dbraw/zinc/26/48/39/1070264839.db2.gz HVDDGYINJOITLV-NHKWWFCZSA-N -1 0 503.580 5.121 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408932652 1070280503 /nfs/dbraw/zinc/28/05/03/1070280503.db2.gz DEZMJDAZGDULRK-QHMIWGDOSA-N -1 0 647.124 7.968 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(OCc4ccccc4C#N)ccc4ccccc43)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932624 1070280601 /nfs/dbraw/zinc/28/06/01/1070280601.db2.gz YIQPHFAEKZTRLC-ZBWJAWJXSA-N -1 0 625.706 7.801 40 30 KKEBRM Cc1c(/N=C2\S/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)N2C)cccc1C(=O)[O-] ZINC000408937273 1070290336 /nfs/dbraw/zinc/29/03/36/1070290336.db2.gz QFVZNTTXXJMBFH-RSBMNFHCSA-N -1 0 531.637 7.083 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408938731 1070296189 /nfs/dbraw/zinc/29/61/89/1070296189.db2.gz SBIYNHXCADPCJC-XNXLFWIOSA-N -1 0 720.585 7.780 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408953179 1070307041 /nfs/dbraw/zinc/30/70/41/1070307041.db2.gz OPXUKNOPEYDHHL-OEAKJJBVSA-N -1 0 630.460 5.867 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cc(Br)c(I)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408955708 1070313942 /nfs/dbraw/zinc/31/39/42/1070313942.db2.gz YQJIEVDATIACDX-LWSWPZBTSA-N -1 0 639.265 6.158 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000408955111 1070318942 /nfs/dbraw/zinc/31/89/42/1070318942.db2.gz WHPCGQNYSLMFEC-FWAMYBDSSA-N -1 0 500.168 5.127 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408960189 1070323048 /nfs/dbraw/zinc/32/30/48/1070323048.db2.gz DGCGKTTUSCJOJK-CIAFOILYSA-N -1 0 604.397 5.608 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408962342 1070327944 /nfs/dbraw/zinc/32/79/44/1070327944.db2.gz HPGNFALBMKVVEO-LPYMAVHISA-N -1 0 539.407 5.627 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C(=O)[O-])ccc4C)N(C)C3=O)c2C)c1 ZINC000408967001 1070332147 /nfs/dbraw/zinc/33/21/47/1070332147.db2.gz PDYBKKHGYNHCPT-HRUMIUIVSA-N -1 0 517.607 5.511 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408983954 1070344155 /nfs/dbraw/zinc/34/41/55/1070344155.db2.gz OVJVZWGLTCCRDA-MTJSOVHGSA-N -1 0 583.841 6.524 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408991605 1070358634 /nfs/dbraw/zinc/35/86/34/1070358634.db2.gz OMZPZZIUKWCMPW-YSMPRRRNSA-N -1 0 653.723 7.198 40 30 KKEBRM 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COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(OCC(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409282829 1070734960 /nfs/dbraw/zinc/73/49/60/1070734960.db2.gz ODVOHUMZVVYUKC-UHFFFAOYSA-N -1 0 578.669 6.257 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409285031 1070741264 /nfs/dbraw/zinc/74/12/64/1070741264.db2.gz MPQOBWYEHABDDG-LLVKDONJSA-N -1 0 660.157 5.724 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 ZINC000409291869 1070744450 /nfs/dbraw/zinc/74/44/50/1070744450.db2.gz YTAVEXYQFUNMNH-UHFFFAOYSA-N -1 0 566.539 6.666 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC000409288790 1070758616 /nfs/dbraw/zinc/75/86/16/1070758616.db2.gz BXZOFSCIVQFNRP-NSHDSACASA-N -1 0 585.680 5.607 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC000409287035 1070754052 /nfs/dbraw/zinc/75/40/52/1070754052.db2.gz XZEHDVJPLCRDFO-UHFFFAOYSA-N -1 0 584.470 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611.792 5.868 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409309667 1070790041 /nfs/dbraw/zinc/79/00/41/1070790041.db2.gz KRNNDRJSTIYOCQ-UHFFFAOYSA-N -1 0 563.452 5.337 40 30 KKEBRM O=C([O-])c1cccc(COc2cccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)c2)c1 ZINC000409312720 1070795128 /nfs/dbraw/zinc/79/51/28/1070795128.db2.gz HGQVYKYEITUNSR-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2I)cc1 ZINC000409306517 1070802944 /nfs/dbraw/zinc/80/29/44/1070802944.db2.gz PLQBPTKBABKEBL-UHFFFAOYSA-N -1 0 795.293 7.451 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409321634 1070809769 /nfs/dbraw/zinc/80/97/69/1070809769.db2.gz IOXAZGOHKGOMGX-UHFFFAOYSA-N -1 0 568.855 6.314 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000409321659 1070809858 /nfs/dbraw/zinc/80/98/58/1070809858.db2.gz IYUSHEIGYYBVSU-RYUDHWBXSA-N -1 0 541.229 5.713 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409314596 1070815662 /nfs/dbraw/zinc/81/56/62/1070815662.db2.gz LQDOEHMKZWTNEJ-UHFFFAOYSA-N -1 0 684.341 7.037 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409316104 1070819182 /nfs/dbraw/zinc/81/91/82/1070819182.db2.gz PEWJITWYQGECKS-INIZCTEOSA-N -1 0 522.399 5.389 40 30 KKEBRM N=C1SC(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C([O-])=C1c1nccs1 ZINC000409333963 1070839974 /nfs/dbraw/zinc/83/99/74/1070839974.db2.gz GJBLKGPHFHFWMN-XWVZYSRWSA-N -1 0 550.297 6.665 40 30 KKEBRM C[C@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409334375 1070840344 /nfs/dbraw/zinc/84/03/44/1070840344.db2.gz LBZHJTUTJVGFIG-KRWDZBQOSA-N -1 0 548.437 6.094 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)SC2=N)s1 ZINC000409337050 1070857614 /nfs/dbraw/zinc/85/76/14/1070857614.db2.gz STNAWRKLBSOZMP-BNEKJOKISA-N -1 0 550.503 7.013 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=N)s1 ZINC000409337649 1070859478 /nfs/dbraw/zinc/85/94/78/1070859478.db2.gz XBPPZRJHFQXZNF-PJUGTHBNSA-N -1 0 501.633 6.259 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408906654 1070893902 /nfs/dbraw/zinc/89/39/02/1070893902.db2.gz JOHQZDVJOWPPJF-KPBLUWHNSA-N -1 0 614.461 5.958 40 30 KKEBRM C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccccc1 ZINC000408905806 1070898078 /nfs/dbraw/zinc/89/80/78/1070898078.db2.gz FAJZQFMZERPGAF-HGQRRRAOSA-N -1 0 558.295 7.282 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385931 1070907656 /nfs/dbraw/zinc/90/76/56/1070907656.db2.gz MMTJYGOGNXYGBF-BZNKMYKFSA-N -1 0 620.800 8.061 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000255976766 1070936395 /nfs/dbraw/zinc/93/63/95/1070936395.db2.gz HMMGKOVEOFBCAU-SJIMEPLPSA-N -1 0 512.731 6.839 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N1CC ZINC000408910171 1070970823 /nfs/dbraw/zinc/97/08/23/1070970823.db2.gz JJHGFGDMSJHYSW-BPRJVQAXSA-N -1 0 604.251 5.788 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000408909726 1070973958 /nfs/dbraw/zinc/97/39/58/1070973958.db2.gz IHFAVVDPWQBPLP-UFWORHAWSA-N -1 0 510.308 5.250 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1I ZINC000408917066 1070994208 /nfs/dbraw/zinc/99/42/08/1070994208.db2.gz LTRKOGPAWRSCGZ-BDMQEEMLSA-N -1 0 584.435 6.192 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408917085 1070994874 /nfs/dbraw/zinc/99/48/74/1070994874.db2.gz MGZXEOZUFZPQIZ-BCYKQRFFSA-N -1 0 638.483 6.204 40 30 KKEBRM CCOC(=O)COc1cc(Br)c(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408916531 1071001090 /nfs/dbraw/zinc/00/10/90/1071001090.db2.gz DVLQHFMIGWIKBL-YENKCMJNSA-N -1 0 639.524 6.292 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)O[C@@H]1c1cccc(OC)c1OCC(=O)[O-] ZINC000585267706 1071007284 /nfs/dbraw/zinc/00/72/84/1071007284.db2.gz VOEXSJOJTKSPGO-KSZYUSJVSA-N -1 0 510.989 7.130 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](c2ccc(F)cc2)O[C@@H]1c1cc(OC)cc(Cl)c1OCC(=O)[O-] ZINC000585267500 1071008289 /nfs/dbraw/zinc/00/82/89/1071008289.db2.gz OOENKXSOHQUBEQ-IJEQNIMCSA-N -1 0 510.989 7.130 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408914922 1071010794 /nfs/dbraw/zinc/01/07/94/1071010794.db2.gz ZTBXBXJIDMRISH-KPBLUWHNSA-N -1 0 573.509 6.556 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914709 1071011576 /nfs/dbraw/zinc/01/15/76/1071011576.db2.gz VVKIXALYUYABED-NVHABHRXSA-N -1 0 519.417 5.244 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408912920 1071020408 /nfs/dbraw/zinc/02/04/08/1071020408.db2.gz IIAQFJNJIZBLES-ZVHZXABRSA-N -1 0 534.971 5.852 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408914009 1071015007 /nfs/dbraw/zinc/01/50/07/1071015007.db2.gz WZBLLCVEKUEAHM-WDHOPVFISA-N -1 0 581.488 6.424 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000408910872 1071065173 /nfs/dbraw/zinc/06/51/73/1071065173.db2.gz LXIWCQJMGWMYDV-UVHLEQJYSA-N -1 0 502.592 5.914 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408910844 1071066771 /nfs/dbraw/zinc/06/67/71/1071066771.db2.gz LJLIAJWKYXMLLX-CCBCPFMQSA-N -1 0 580.444 5.474 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408918320 1071134177 /nfs/dbraw/zinc/13/41/77/1071134177.db2.gz JBYMKTPGDVTMIZ-NSDRVPDYSA-N -1 0 599.108 7.820 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O ZINC000408918409 1071135511 /nfs/dbraw/zinc/13/55/11/1071135511.db2.gz KECFLMNDQBBEAG-DTYFSPMJSA-N -1 0 539.407 5.666 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931731 1071151093 /nfs/dbraw/zinc/15/10/93/1071151093.db2.gz PMRYZTXOAUAZQW-PSTKCHQZSA-N -1 0 594.689 7.094 40 30 KKEBRM CCOC(=O)COc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408931236 1071154468 /nfs/dbraw/zinc/15/44/68/1071154468.db2.gz IUCSKTKQKGLDFA-CBOIFWCFSA-N -1 0 625.099 6.192 40 30 KKEBRM O=C1/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408931579 1071152401 /nfs/dbraw/zinc/15/24/01/1071152401.db2.gz NLUGRPMCZOACHK-NOMMCYAHSA-N -1 0 655.430 6.141 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408929196 1071174522 /nfs/dbraw/zinc/17/45/22/1071174522.db2.gz RJFUUNJHJOFHRF-YNHMEYCFSA-N -1 0 608.514 5.797 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935822 1071217236 /nfs/dbraw/zinc/21/72/36/1071217236.db2.gz NYRQFAAKRCKPRG-HXOXSGNQSA-N -1 0 663.977 8.193 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408932930 1071246387 /nfs/dbraw/zinc/24/63/87/1071246387.db2.gz FUBJXOPMPOPIDD-QHMIWGDOSA-N -1 0 755.030 8.433 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OC ZINC000110708542 1071243402 /nfs/dbraw/zinc/24/34/02/1071243402.db2.gz GUWWJEKQLNTFKD-ODOJCJTKSA-N -1 0 577.853 8.620 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OCC ZINC000110708843 1071244533 /nfs/dbraw/zinc/24/45/33/1071244533.db2.gz XRMQOLMYKJEUDF-SAHIIKMKSA-N -1 0 543.707 7.023 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408933134 1071245046 /nfs/dbraw/zinc/24/50/46/1071245046.db2.gz HUSXSSWMQOUWEB-FTRFEOITSA-N -1 0 638.717 7.653 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408932576 1071251395 /nfs/dbraw/zinc/25/13/95/1071251395.db2.gz XPSFNXDMLBJEEM-VFJLWKDKSA-N -1 0 562.644 5.622 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932071 1071254239 /nfs/dbraw/zinc/25/42/39/1071254239.db2.gz SSMHXXOSWZQKIF-VOYMCNKXSA-N -1 0 681.967 8.332 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408931745 1071256613 /nfs/dbraw/zinc/25/66/13/1071256613.db2.gz PRSDYXUGCZGTEL-ICEIDMMXSA-N -1 0 555.027 6.697 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccc([N+](=O)[O-])cc4)N(CCc4c[nH]c5ccccc45)C3=O)o2)cc1 ZINC000408943890 1071260690 /nfs/dbraw/zinc/26/06/90/1071260690.db2.gz ZKRXXZMKWSJFBY-DQLZYPLSSA-N -1 0 578.606 6.881 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408943811 1071290195 /nfs/dbraw/zinc/29/01/95/1071290195.db2.gz ZBQPQQRFEGSMQE-TXUSTZCOSA-N -1 0 655.523 5.911 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408941810 1071303605 /nfs/dbraw/zinc/30/36/05/1071303605.db2.gz KLEMSERSYBEWFH-JMIUGGIZSA-N -1 0 530.831 6.100 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408938754 1071327648 /nfs/dbraw/zinc/32/76/48/1071327648.db2.gz SEOUMLIWVLJSER-QEMXZNORSA-N -1 0 627.513 5.994 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408952490 1071344689 /nfs/dbraw/zinc/34/46/89/1071344689.db2.gz NZBRLHJPHXSVAJ-DPNNOFEESA-N -1 0 651.203 8.180 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408951608 1071349477 /nfs/dbraw/zinc/34/94/77/1071349477.db2.gz JGNJZIPDLIIAJM-OEAKJJBVSA-N -1 0 539.009 5.916 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408948816 1071362730 /nfs/dbraw/zinc/36/27/30/1071362730.db2.gz HAFGZPCRYLVORW-AMVVHIIESA-N -1 0 636.148 7.324 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408965247 1071402525 /nfs/dbraw/zinc/40/25/25/1071402525.db2.gz JOXXFSIBIGWUEZ-CIAFOILYSA-N -1 0 512.946 5.657 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965789 1071412460 /nfs/dbraw/zinc/41/24/60/1071412460.db2.gz IOLFHSMTEUZMKS-DFZXFXTASA-N -1 0 501.652 6.632 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408964823 1071416451 /nfs/dbraw/zinc/41/64/51/1071416451.db2.gz HSTZJKAHXFXIOL-LPYMAVHISA-N -1 0 600.434 5.777 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408964371 1071418578 /nfs/dbraw/zinc/41/85/78/1071418578.db2.gz RBNJLKWQZWNJIN-RGVLZGJSSA-N -1 0 608.297 6.933 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OCC(=O)[O-] ZINC000408964171 1071419448 /nfs/dbraw/zinc/41/94/48/1071419448.db2.gz RIDNDMAOYCLOQZ-IBBHUPRXSA-N -1 0 646.547 7.103 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2C)cc1 ZINC000408964150 1071419459 /nfs/dbraw/zinc/41/94/59/1071419459.db2.gz BZGNNZSEPUZVRA-NLIPKUAKSA-N -1 0 504.564 5.215 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408963152 1071423554 /nfs/dbraw/zinc/42/35/54/1071423554.db2.gz AIUWYADIAWPNBG-LPYMAVHISA-N -1 0 508.983 5.826 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(Br)cc1 ZINC000408962214 1071428376 /nfs/dbraw/zinc/42/83/76/1071428376.db2.gz XKDUQDVXHJRLID-KAJIUBQISA-N -1 0 537.435 6.350 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(N(C)C)cc1 ZINC000408962261 1071427640 /nfs/dbraw/zinc/42/76/40/1071427640.db2.gz XSMFRSNOYIHKPS-KSVGNYRWSA-N -1 0 501.608 5.654 40 30 KKEBRM CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(Br)cc1 ZINC000408961634 1071429772 /nfs/dbraw/zinc/42/97/72/1071429772.db2.gz UGEPPRGZMYCVIG-NDMCFCFYSA-N -1 0 523.408 5.960 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000408960994 1071430445 /nfs/dbraw/zinc/43/04/45/1071430445.db2.gz PQWQVAHNKKCKFV-SBZDMIGCSA-N -1 0 510.571 6.361 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408987062 1071484536 /nfs/dbraw/zinc/48/45/36/1071484536.db2.gz ABRVAWBWQOPQNF-ZMFRSBBQSA-N -1 0 688.168 7.851 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408985928 1071494662 /nfs/dbraw/zinc/49/46/62/1071494662.db2.gz BMETVZMEOZAKJQ-QRVIBDJDSA-N -1 0 579.878 6.693 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408984908 1071503822 /nfs/dbraw/zinc/50/38/22/1071503822.db2.gz UFZKQTSJYZSHDY-NHDPSOOVSA-N -1 0 564.823 5.782 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408984420 1071510061 /nfs/dbraw/zinc/51/00/61/1071510061.db2.gz QUHKMRJCUJUZDY-UQQQWYQISA-N -1 0 592.433 5.828 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408983994 1071514624 /nfs/dbraw/zinc/51/46/24/1071514624.db2.gz PEJHEBGWUQMABF-FBHDLOMBSA-N -1 0 641.849 5.769 40 30 KKEBRM Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(O)c(C(=O)[O-])c4)o3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000408719933 1071545530 /nfs/dbraw/zinc/54/55/30/1071545530.db2.gz SWPXUZZQWIKKBF-XICOUIIWSA-N -1 0 603.683 6.493 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N\c3sc4c(c3C(=O)NC3CCCCC3)CCCC4)o2)c1 ZINC000408995132 1071553781 /nfs/dbraw/zinc/55/37/81/1071553781.db2.gz JIWYUTNWKZXPNY-FDVSRXAVSA-N -1 0 511.043 7.052 40 30 KKEBRM Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408994163 1071560501 /nfs/dbraw/zinc/56/05/01/1071560501.db2.gz GRFOTIWOZKWELR-NHDPSOOVSA-N -1 0 775.200 7.136 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408993675 1071563368 /nfs/dbraw/zinc/56/33/68/1071563368.db2.gz XCCRCRJYODNHLV-XYGWBWBKSA-N -1 0 541.560 5.140 40 30 KKEBRM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/SC(=Nc6cccc(C(=O)[O-])c6)NC5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408992143 1071575626 /nfs/dbraw/zinc/57/56/26/1071575626.db2.gz QPOBVBNYSVQDGW-VYYCAZPPSA-N -1 0 667.750 7.506 40 30 KKEBRM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C4/SC(=Nc5ccc(Cl)c(C(=O)[O-])c5)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992219 1071573752 /nfs/dbraw/zinc/57/37/52/1071573752.db2.gz QUXSSFUFXVAVPJ-WKIKZPBSSA-N -1 0 702.195 8.160 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408991167 1071582454 /nfs/dbraw/zinc/58/24/54/1071582454.db2.gz ZJIRRFHJIWKZJO-IWIPYMOSSA-N -1 0 531.008 6.021 40 30 KKEBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C(=O)[N-]C1=S ZINC000408739788 1071601480 /nfs/dbraw/zinc/60/14/80/1071601480.db2.gz AKZZQHGEMLRPLW-LPYMAVHISA-N -1 0 532.419 5.040 40 30 KKEBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408739883 1071602134 /nfs/dbraw/zinc/60/21/34/1071602134.db2.gz BJGPWMIIAGYLOU-ORBAKXMTSA-N -1 0 510.984 5.166 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408988539 1071603140 /nfs/dbraw/zinc/60/31/40/1071603140.db2.gz IHUFOYRTELSWDQ-IMRQLAEWSA-N -1 0 524.617 5.930 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408988478 1071604637 /nfs/dbraw/zinc/60/46/37/1071604637.db2.gz IAUHIIXGKUBBMK-OYKKKHCWSA-N -1 0 656.904 6.626 40 30 KKEBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(O)c(C(=O)[O-])c3)c2-c2ccccc2)cc1 ZINC000408740530 1071629643 /nfs/dbraw/zinc/62/96/43/1071629643.db2.gz LIMOQZFPCDWUDD-KEIPNQJHSA-N -1 0 530.580 7.142 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408756149 1071639933 /nfs/dbraw/zinc/63/99/33/1071639933.db2.gz UEETYVONPHNSII-BUVRLJJBSA-N -1 0 575.459 6.048 40 30 KKEBRM Cc1cccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)c1 ZINC000409002139 1071641879 /nfs/dbraw/zinc/64/18/79/1071641879.db2.gz YDIBPAWHTBYJQQ-MTJSOVHGSA-N -1 0 696.304 6.373 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)S2)cc(C)c1Br ZINC000408755631 1071643682 /nfs/dbraw/zinc/64/36/82/1071643682.db2.gz RFACUICNOCPUQX-JAIQZWGSSA-N -1 0 511.397 6.224 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408755356 1071646026 /nfs/dbraw/zinc/64/60/26/1071646026.db2.gz KTPFIIRESGFOSO-UUYOSTAYSA-N -1 0 538.467 6.372 40 30 KKEBRM O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408755212 1071647194 /nfs/dbraw/zinc/64/71/94/1071647194.db2.gz ZLOCMBOQPAQZNS-WLRTZDKTSA-N -1 0 533.585 5.370 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408754790 1071648302 /nfs/dbraw/zinc/64/83/02/1071648302.db2.gz RSQWUOFENDIZJC-KSEXSDGBSA-N -1 0 646.357 7.006 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408754577 1071651117 /nfs/dbraw/zinc/65/11/17/1071651117.db2.gz GILDNCXEMHYAOF-OEAKJJBVSA-N -1 0 606.429 5.648 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408754141 1071653375 /nfs/dbraw/zinc/65/33/75/1071653375.db2.gz IQLKAJBHCBIRCY-SRZZPIQSSA-N -1 0 639.300 6.036 40 30 KKEBRM Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408998947 1071656461 /nfs/dbraw/zinc/65/64/61/1071656461.db2.gz VKAYUMUTERBFEI-FBHDLOMBSA-N -1 0 730.749 7.026 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1C ZINC000408998750 1071657491 /nfs/dbraw/zinc/65/74/91/1071657491.db2.gz QGGGSCKYCJUSDF-UUYOSTAYSA-N -1 0 710.331 6.681 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408753131 1071660869 /nfs/dbraw/zinc/66/08/69/1071660869.db2.gz LONVEYVTJNBQBL-UCQKPKSFSA-N -1 0 614.461 6.031 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408751908 1071667866 /nfs/dbraw/zinc/66/78/66/1071667866.db2.gz DPYKMHVNYQSKES-KEBDBYFISA-N -1 0 625.273 5.646 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000408760112 1071698540 /nfs/dbraw/zinc/69/85/40/1071698540.db2.gz RRPVZULMKYHSJU-XKZIYDEJSA-N -1 0 663.331 6.785 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408759803 1071699972 /nfs/dbraw/zinc/69/99/72/1071699972.db2.gz LXSKVLOLYNHBPY-NHDPSOOVSA-N -1 0 558.885 6.717 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408758073 1071707751 /nfs/dbraw/zinc/70/77/51/1071707751.db2.gz GIYUOCRCMUJAOS-QRVIBDJDSA-N -1 0 567.461 6.243 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)ccc1Br ZINC000408766331 1071713893 /nfs/dbraw/zinc/71/38/93/1071713893.db2.gz UKABQDDTKRWLAN-DJKKODMXSA-N -1 0 674.143 6.400 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)S2)cc(C)c1Br ZINC000408764352 1071729252 /nfs/dbraw/zinc/72/92/52/1071729252.db2.gz MKCOEDGDFCMSQA-NHDPSOOVSA-N -1 0 606.325 7.542 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)S2)cc(C)c1Br ZINC000408764152 1071729267 /nfs/dbraw/zinc/72/92/67/1071729267.db2.gz WGKMWYWHPNVFES-CHHVJCJISA-N -1 0 574.678 5.837 40 30 KKEBRM CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409019416 1071730034 /nfs/dbraw/zinc/73/00/34/1071730034.db2.gz ZCILJUVGLKVUST-UFMJHHIRSA-N -1 0 521.038 7.020 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)S2)cc1 ZINC000408764121 1071730058 /nfs/dbraw/zinc/73/00/58/1071730058.db2.gz WEMAQHALJGIRFN-XKZIYDEJSA-N -1 0 527.429 6.725 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408763882 1071730268 /nfs/dbraw/zinc/73/02/68/1071730268.db2.gz LBIGJFLATCKCRR-WSDLNYQXSA-N -1 0 630.322 7.047 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408775813 1071752447 /nfs/dbraw/zinc/75/24/47/1071752447.db2.gz SGRFOEXNTITVBG-WGOQTCKBSA-N -1 0 555.587 5.584 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408775772 1071753475 /nfs/dbraw/zinc/75/34/75/1071753475.db2.gz KNYONOISZLBXCU-OGLMXYFKSA-N -1 0 595.493 7.193 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409280425 1071767927 /nfs/dbraw/zinc/76/79/27/1071767927.db2.gz KCVQUQGWONSMNS-UHFFFAOYSA-N -1 0 608.654 7.377 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c3)cc21 ZINC000409280353 1071771587 /nfs/dbraw/zinc/77/15/87/1071771587.db2.gz LDHFYBLXILWSIP-CQSZACIVSA-N -1 0 562.922 5.114 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(O[C@@H](C)C(=O)[O-])ccc4ccccc43)cc21 ZINC000409280357 1071771684 /nfs/dbraw/zinc/77/16/84/1071771684.db2.gz LEDXOHRMMGTVDH-SFHVURJKSA-N -1 0 533.540 5.706 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2I)c1 ZINC000409279950 1071774795 /nfs/dbraw/zinc/77/47/95/1071774795.db2.gz AGOZPEFSAPIPSM-UHFFFAOYSA-N -1 0 669.397 6.846 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771435 1071779906 /nfs/dbraw/zinc/77/99/06/1071779906.db2.gz IAUBKKLAGASSFS-OEAKJJBVSA-N -1 0 547.951 5.231 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771388 1071781217 /nfs/dbraw/zinc/78/12/17/1071781217.db2.gz GIXBAOLFVFOLPT-PCLIKHOPSA-N -1 0 541.560 5.276 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409279036 1071793831 /nfs/dbraw/zinc/79/38/31/1071793831.db2.gz GEWZUAUAJFZLRP-OAHLLOKOSA-N -1 0 685.325 6.476 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)cc21 ZINC000409278259 1071805771 /nfs/dbraw/zinc/80/57/71/1071805771.db2.gz CHJXBDLIJNBHAE-UHFFFAOYSA-N -1 0 605.603 5.995 40 30 KKEBRM O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000409278454 1071803777 /nfs/dbraw/zinc/80/37/77/1071803777.db2.gz FMIUYHVBAVTVFI-UHFFFAOYSA-N -1 0 591.296 5.099 40 30 KKEBRM O=C([O-])c1cccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)c3ccccc32)c1 ZINC000409278195 1071804437 /nfs/dbraw/zinc/80/44/37/1071804437.db2.gz DQWGFIAUMBABHP-UHFFFAOYSA-N -1 0 566.539 6.666 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409277609 1071814936 /nfs/dbraw/zinc/81/49/36/1071814936.db2.gz BKZGYYGNMFTVKT-UHFFFAOYSA-N -1 0 672.919 7.784 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409277523 1071818404 /nfs/dbraw/zinc/81/84/04/1071818404.db2.gz ATNYSHWJFFBSPU-FQEVSTJZSA-N -1 0 543.620 5.637 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409277524 1071818446 /nfs/dbraw/zinc/81/84/46/1071818446.db2.gz ATNYSHWJFFBSPU-HXUWFJFHSA-N -1 0 543.620 5.637 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)[O-] ZINC000409277525 1071818487 /nfs/dbraw/zinc/81/84/87/1071818487.db2.gz AUMMLCKEUBPYOY-UHFFFAOYSA-N -1 0 590.352 5.589 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2Cl)c1 ZINC000409277715 1071816686 /nfs/dbraw/zinc/81/66/86/1071816686.db2.gz BVCPEGNECJRBFP-UHFFFAOYSA-N -1 0 618.860 7.929 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])cc1C(C)C ZINC000409277746 1071817250 /nfs/dbraw/zinc/81/72/50/1071817250.db2.gz BYSFKWLHESDFIR-UHFFFAOYSA-N -1 0 551.397 5.762 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409293890 1071826981 /nfs/dbraw/zinc/82/69/81/1071826981.db2.gz MESOSVVFHUNYEF-CQSZACIVSA-N -1 0 641.272 6.077 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br)C(=O)[O-] ZINC000409293945 1071828054 /nfs/dbraw/zinc/82/80/54/1071828054.db2.gz MLQZYVZLUWAZHW-ZDUSSCGKSA-N -1 0 690.142 6.831 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc2n1[C@H](C)C(=O)[O-] ZINC000409293749 1071830135 /nfs/dbraw/zinc/83/01/35/1071830135.db2.gz ZNWXTXHUQPJNFL-QGZVFWFLSA-N -1 0 569.415 6.363 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(Br)cc4)NC3=O)o2)cc1Cl ZINC000408779454 1071830841 /nfs/dbraw/zinc/83/08/41/1071830841.db2.gz WZPJDNZZGMERNA-ZDLGFXPLSA-N -1 0 503.761 5.952 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409045218 1071841554 /nfs/dbraw/zinc/84/15/54/1071841554.db2.gz FRZKGSKACKBISZ-UHFFFAOYSA-N -1 0 632.584 8.496 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409044759 1071845433 /nfs/dbraw/zinc/84/54/33/1071845433.db2.gz DCODXXGZOJCBDO-UHFFFAOYSA-N -1 0 526.416 6.070 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C2=C1CCCC2=O ZINC000409044813 1071846067 /nfs/dbraw/zinc/84/60/67/1071846067.db2.gz DKIVEQQWXCRVQR-UHFFFAOYSA-N -1 0 665.378 7.442 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409292598 1071852974 /nfs/dbraw/zinc/85/29/74/1071852974.db2.gz FCXVDFOOGYZPGU-CYBMUJFWSA-N -1 0 669.248 6.350 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)o2)c1 ZINC000409292366 1071854268 /nfs/dbraw/zinc/85/42/68/1071854268.db2.gz GJUQNZAAWDYCCW-UHFFFAOYSA-N -1 0 544.350 6.957 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2Br)c1 ZINC000409292401 1071854861 /nfs/dbraw/zinc/85/48/61/1071854861.db2.gz GQIGTSDGFICMIZ-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2I)cc1 ZINC000409043699 1071858209 /nfs/dbraw/zinc/85/82/09/1071858209.db2.gz ZDELIXWTJUCRNI-SBXMUCCLSA-N -1 0 690.091 5.887 40 30 KKEBRM COc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409043485 1071858829 /nfs/dbraw/zinc/85/88/29/1071858829.db2.gz RBEGUXGDFXRHKB-UHFFFAOYSA-N -1 0 506.426 5.772 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408784874 1071859949 /nfs/dbraw/zinc/85/99/49/1071859949.db2.gz WAMFASUZMSDJMR-ZMOGYAJESA-N -1 0 565.453 6.593 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408784067 1071866758 /nfs/dbraw/zinc/86/67/58/1071866758.db2.gz RAXAYJQAADZNHZ-HZHRSRAPSA-N -1 0 551.426 6.366 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408783603 1071869067 /nfs/dbraw/zinc/86/90/67/1071869067.db2.gz OZNWESHPSUMHLD-RGVLZGJSSA-N -1 0 620.714 7.383 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(C4CCCCC4)C3=O)cc2I)cc1 ZINC000408783665 1071869828 /nfs/dbraw/zinc/86/98/28/1071869828.db2.gz OEQRXYVIRQEMHU-TYNNKJBBSA-N -1 0 638.527 7.505 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409291438 1071876997 /nfs/dbraw/zinc/87/69/97/1071876997.db2.gz CMQSHFAHPKIRKU-UHFFFAOYSA-N -1 0 623.460 5.923 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCC(=O)[O-] ZINC000409291601 1071874435 /nfs/dbraw/zinc/87/44/35/1071874435.db2.gz DFNBYDMVGSCMGJ-UHFFFAOYSA-N -1 0 576.325 5.199 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796992 1071877407 /nfs/dbraw/zinc/87/74/07/1071877407.db2.gz QBXDIORHCFALGY-XXCIOWNUSA-N -1 0 548.418 5.832 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409291181 1071883559 /nfs/dbraw/zinc/88/35/59/1071883559.db2.gz CFDANSQSXUVHEA-SFHVURJKSA-N -1 0 572.017 6.324 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796767 1071878589 /nfs/dbraw/zinc/87/85/89/1071878589.db2.gz PWWYIMAUURGHDS-DIENZIEHSA-N -1 0 681.200 7.485 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409290723 1071892025 /nfs/dbraw/zinc/89/20/25/1071892025.db2.gz NAEFBAFKKVDQLW-UHFFFAOYSA-N -1 0 585.616 6.706 40 30 KKEBRM CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I ZINC000408793238 1071887083 /nfs/dbraw/zinc/88/70/83/1071887083.db2.gz DNSGGGMMGYOMRY-REQWNXGKSA-N -1 0 634.233 5.227 40 30 KKEBRM CC(C)COc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409040552 1071888607 /nfs/dbraw/zinc/88/86/07/1071888607.db2.gz GQYBCOFFKTUHOV-UHFFFAOYSA-N -1 0 581.301 5.744 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000408790872 1071892258 /nfs/dbraw/zinc/89/22/58/1071892258.db2.gz RSHFVHQTPZKILK-HSZRJFAPSA-N -1 0 733.296 5.914 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409290620 1071889631 /nfs/dbraw/zinc/88/96/31/1071889631.db2.gz USHKDMMPLZXYOE-UHFFFAOYSA-N -1 0 630.249 5.552 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)cc21 ZINC000409290533 1071893634 /nfs/dbraw/zinc/89/36/34/1071893634.db2.gz MEICXCLDLLVUAI-UHFFFAOYSA-N -1 0 505.486 5.659 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409290048 1071901002 /nfs/dbraw/zinc/90/10/02/1071901002.db2.gz QQCKOPGHWAIAMR-CQSZACIVSA-N -1 0 522.344 5.851 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCc3ccccc3)C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1[O-] ZINC000409039057 1071901301 /nfs/dbraw/zinc/90/13/01/1071901301.db2.gz QGJKMYLQLXEQPB-UHFFFAOYSA-N -1 0 502.567 5.355 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408798094 1071913206 /nfs/dbraw/zinc/91/32/06/1071913206.db2.gz UTVDQSJACQXTNH-CWCMFYRQSA-N -1 0 563.462 7.658 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409289334 1071913952 /nfs/dbraw/zinc/91/39/52/1071913952.db2.gz LZTTUQWUNFGGHH-QGZVFWFLSA-N -1 0 687.385 6.772 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C)cc1C(C)C ZINC000409289479 1071911244 /nfs/dbraw/zinc/91/12/44/1071911244.db2.gz MYXJXMKRHMAJKR-UHFFFAOYSA-N -1 0 668.794 8.461 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409288854 1071920291 /nfs/dbraw/zinc/92/02/91/1071920291.db2.gz CEDGIXAJZNIZDH-GFCCVEGCSA-N -1 0 615.706 5.831 40 30 KKEBRM Cc1ccc(COc2c(Br)cc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Br)cc1 ZINC000409054473 1071917388 /nfs/dbraw/zinc/91/73/88/1071917388.db2.gz GJVPGMFYAUNIHE-UHFFFAOYSA-N -1 0 685.453 7.869 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409289040 1071918775 /nfs/dbraw/zinc/91/87/75/1071918775.db2.gz KRMUNMOTXJRKEJ-UHFFFAOYSA-N -1 0 577.946 6.895 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288704 1071923037 /nfs/dbraw/zinc/92/30/37/1071923037.db2.gz IUYSXTMNMZZKNL-UHFFFAOYSA-N -1 0 658.303 6.287 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288797 1071924514 /nfs/dbraw/zinc/92/45/14/1071924514.db2.gz BZKVRAGDFOUIKG-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])cc2Br)cc1C(C)C ZINC000409288569 1071925641 /nfs/dbraw/zinc/92/56/41/1071925641.db2.gz HTXRQIYACMKIDK-IBGZPJMESA-N -1 0 622.516 6.399 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br)C(=O)[O-] ZINC000409288607 1071925989 /nfs/dbraw/zinc/92/59/89/1071925989.db2.gz IDCHRTSESPUWKW-CQSZACIVSA-N -1 0 611.246 6.069 40 30 KKEBRM CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409055436 1071927229 /nfs/dbraw/zinc/92/72/29/1071927229.db2.gz BWTWSPYRNSVAIJ-ASCZMWPCSA-N -1 0 513.402 6.504 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000409288013 1071935206 /nfs/dbraw/zinc/93/52/06/1071935206.db2.gz BTSRZNSMNYEONN-UHFFFAOYSA-N -1 0 500.736 5.215 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409288018 1071935244 /nfs/dbraw/zinc/93/52/44/1071935244.db2.gz BVLKPTCFTWUKNG-JOCHJYFZSA-N -1 0 583.685 6.365 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409288259 1071934138 /nfs/dbraw/zinc/93/41/38/1071934138.db2.gz FJBHHNWIRKMBPA-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409287772 1071940703 /nfs/dbraw/zinc/94/07/03/1071940703.db2.gz ZDILJDCHLMSXNH-UHFFFAOYSA-N -1 0 571.225 5.389 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409287765 1071940761 /nfs/dbraw/zinc/94/07/61/1071940761.db2.gz YZRPEZROWRWPSL-UHFFFAOYSA-N -1 0 722.228 7.366 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)n(Cc4cccc(C(=O)[O-])c4)c4ccccc34)cc21 ZINC000409297112 1071951362 /nfs/dbraw/zinc/95/13/62/1071951362.db2.gz JYMHFDGHZRXTLM-UHFFFAOYSA-N -1 0 582.616 6.710 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409297163 1071952553 /nfs/dbraw/zinc/95/25/53/1071952553.db2.gz KGHKNSRYMKISTH-GOSISDBHSA-N -1 0 564.038 5.900 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c3Br)cc21 ZINC000409296490 1071960528 /nfs/dbraw/zinc/96/05/28/1071960528.db2.gz INFRMUWPNRDDDJ-CQSZACIVSA-N -1 0 626.847 5.977 40 30 KKEBRM C[C@@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409296016 1071967173 /nfs/dbraw/zinc/96/71/73/1071967173.db2.gz GSPJFWVFMCDLJU-CQSZACIVSA-N -1 0 522.344 5.851 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409295887 1071969566 /nfs/dbraw/zinc/96/95/66/1071969566.db2.gz RWCHOVGUWLXZBT-UHFFFAOYSA-N -1 0 655.107 7.615 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409295644 1071975690 /nfs/dbraw/zinc/97/56/90/1071975690.db2.gz FVRBPFBJVYHZEA-UHFFFAOYSA-N -1 0 587.035 7.355 40 30 KKEBRM O=C([O-])c1cccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)c3ccccc32)c1 ZINC000409295397 1071982096 /nfs/dbraw/zinc/98/20/96/1071982096.db2.gz DKGFKRNAZNQDHB-UHFFFAOYSA-N -1 0 504.590 6.028 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OCC ZINC000409057978 1071990167 /nfs/dbraw/zinc/99/01/67/1071990167.db2.gz QSDQXHQCDANGEK-VGJGMVRDSA-N -1 0 577.453 5.112 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)cc(I)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409057767 1071990707 /nfs/dbraw/zinc/99/07/07/1071990707.db2.gz WJJDAELISGKKGV-BNWUJJENSA-N -1 0 671.826 8.628 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCCC ZINC000409065033 1071995341 /nfs/dbraw/zinc/99/53/41/1071995341.db2.gz GSVZPIQDUSEVDU-UHFFFAOYSA-N -1 0 535.681 5.983 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409065129 1071995991 /nfs/dbraw/zinc/99/59/91/1071995991.db2.gz GKLGAJSFZJBYKG-UHFFFAOYSA-N -1 0 685.055 8.241 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409066532 1072002102 /nfs/dbraw/zinc/00/21/02/1072002102.db2.gz AZRIERNYYORCLS-UHFFFAOYSA-N -1 0 668.628 8.612 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1cccc(F)c1 ZINC000409066075 1072004042 /nfs/dbraw/zinc/00/40/42/1072004042.db2.gz LNKDKOIPQGMKCQ-UHFFFAOYSA-N -1 0 701.573 7.178 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409066994 1071999098 /nfs/dbraw/zinc/99/90/98/1071999098.db2.gz OLVFSFDHFSOQRF-UHFFFAOYSA-N -1 0 656.219 8.631 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)cc1C(C)C ZINC000409294171 1072000505 /nfs/dbraw/zinc/00/05/05/1072000505.db2.gz LOJZTTGXJPCIKO-UHFFFAOYSA-N -1 0 570.045 7.388 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000409065641 1072007205 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CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409305818 1072020187 /nfs/dbraw/zinc/02/01/87/1072020187.db2.gz XMCPGVLXXQVHDU-CYBMUJFWSA-N -1 0 595.288 5.352 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)cc21 ZINC000409305652 1072021585 /nfs/dbraw/zinc/02/15/85/1072021585.db2.gz NHVJJZZEKGKJLC-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OC(C)C ZINC000409062507 1072024337 /nfs/dbraw/zinc/02/43/37/1072024337.db2.gz VVOFAZFNOOYSTH-CCBCPFMQSA-N -1 0 533.444 5.957 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409062335 1072025175 /nfs/dbraw/zinc/02/51/75/1072025175.db2.gz SAYPWZRCVSJHOV-WCQUZOIFSA-N -1 0 571.880 7.004 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409305239 1072027307 /nfs/dbraw/zinc/02/73/07/1072027307.db2.gz MNSHQVDFLZNVDE-UHFFFAOYSA-N -1 0 670.560 7.434 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304653 1072034830 /nfs/dbraw/zinc/03/48/30/1072034830.db2.gz KJPQVECCMFZQTR-UHFFFAOYSA-N -1 0 633.724 6.858 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409060794 1072033276 /nfs/dbraw/zinc/03/32/76/1072033276.db2.gz WAGWADDYKMEVSG-CHNNLWIBSA-N -1 0 503.536 5.496 40 30 KKEBRM O=C(NC1CCCCC1)c1c(/N=C/c2cc(Br)cc(I)c2[O-])sc2c1CCCC2 ZINC000409059935 1072036480 /nfs/dbraw/zinc/03/64/80/1072036480.db2.gz SOSDWGOJTXOEHY-BRJLIKDPSA-N -1 0 587.321 6.513 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCc4cccc(C(=O)[O-])c4)c(Cl)c3Br)cc21 ZINC000409304247 1072041048 /nfs/dbraw/zinc/04/10/48/1072041048.db2.gz KQQZWGLNSGTZME-UHFFFAOYSA-N -1 0 688.918 7.402 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304193 1072040505 /nfs/dbraw/zinc/04/05/05/1072040505.db2.gz QIHYQXRGKQLHAJ-HNNXBMFYSA-N -1 0 647.751 7.248 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076568 1072047842 /nfs/dbraw/zinc/04/78/42/1072047842.db2.gz BMNQUTMUESHGMH-BRPDVVIDSA-N -1 0 544.607 6.535 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Br)c1Br ZINC000409304086 1072042905 /nfs/dbraw/zinc/04/29/05/1072042905.db2.gz PWILMAPGVVGXKL-UHFFFAOYSA-N -1 0 646.130 5.381 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409303913 1072044976 /nfs/dbraw/zinc/04/49/76/1072044976.db2.gz IMDYUYOGDAGCRO-UHFFFAOYSA-N -1 0 664.512 7.469 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409303747 1072046666 /nfs/dbraw/zinc/04/66/66/1072046666.db2.gz OHPADGFFKIHKDK-QGZVFWFLSA-N -1 0 612.908 6.884 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409303752 1072046774 /nfs/dbraw/zinc/04/67/74/1072046774.db2.gz JOJHWBDLFTWSAQ-UHFFFAOYSA-N -1 0 632.252 5.485 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OC ZINC000409076639 1072048885 /nfs/dbraw/zinc/04/88/85/1072048885.db2.gz BKHFFLWXWYRXGV-UHFFFAOYSA-N -1 0 535.681 5.983 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409303575 1072052610 /nfs/dbraw/zinc/05/26/10/1072052610.db2.gz HJPIVNHZPDEAMG-UHFFFAOYSA-N -1 0 573.628 6.576 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C)cc1 ZINC000409076023 1072054801 /nfs/dbraw/zinc/05/48/01/1072054801.db2.gz WPUCSIHGKTVRRR-UHFFFAOYSA-N -1 0 655.529 6.465 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409075933 1072056749 /nfs/dbraw/zinc/05/67/49/1072056749.db2.gz VUTAYLXQUJRUAG-UHFFFAOYSA-N -1 0 618.565 6.033 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc21 ZINC000409075945 1072056867 /nfs/dbraw/zinc/05/68/67/1072056867.db2.gz ZERQAHQGUOCZKP-UHFFFAOYSA-N -1 0 677.535 6.920 40 30 KKEBRM C=CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409075133 1072062432 /nfs/dbraw/zinc/06/24/32/1072062432.db2.gz UZJZLTXDPKNJLZ-UHFFFAOYSA-N -1 0 635.393 6.937 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409303061 1072057937 /nfs/dbraw/zinc/05/79/37/1072057937.db2.gz GOWIGGTVBVIMMH-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409303121 1072058869 /nfs/dbraw/zinc/05/88/69/1072058869.db2.gz GEASMDZXYJHRPI-NSHDSACASA-N -1 0 616.104 5.542 40 30 KKEBRM CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C2=C1CCCC2=O ZINC000409075643 1072059181 /nfs/dbraw/zinc/05/91/81/1072059181.db2.gz SOZCLPKWQGUZLI-UHFFFAOYSA-N -1 0 615.318 6.532 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409075651 1072059644 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CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409302443 1072065065 /nfs/dbraw/zinc/06/50/65/1072065065.db2.gz ITGRVDIMYAXBCA-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2)cc1 ZINC000409302514 1072065993 /nfs/dbraw/zinc/06/59/93/1072065993.db2.gz GFEWTKRMIGORCE-UHFFFAOYSA-N -1 0 594.421 6.732 40 30 KKEBRM C[C@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409302337 1072067234 /nfs/dbraw/zinc/06/72/34/1072067234.db2.gz DJWNNEARXJDVOH-AWEZNQCLSA-N -1 0 611.246 6.069 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409073994 1072070512 /nfs/dbraw/zinc/07/05/12/1072070512.db2.gz OYARMZMDUKWPHV-CIAFOILYSA-N -1 0 571.844 6.629 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409074025 1072071189 /nfs/dbraw/zinc/07/11/89/1072071189.db2.gz JODIEGKZUHHPIJ-LPYMAVHISA-N -1 0 599.898 7.328 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COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 ZINC000409068019 1072114521 /nfs/dbraw/zinc/11/45/21/1072114521.db2.gz FIXLQAWHOVJAER-UHFFFAOYSA-N -1 0 554.014 5.955 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(C)cc1 ZINC000409068255 1072112190 /nfs/dbraw/zinc/11/21/90/1072112190.db2.gz IGCQCNCYZSRZCT-UHFFFAOYSA-N -1 0 597.752 7.081 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409068530 1072112196 /nfs/dbraw/zinc/11/21/96/1072112196.db2.gz GXDFQDBSNMQJCJ-UHFFFAOYSA-N -1 0 632.562 6.531 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409068292 1072112222 /nfs/dbraw/zinc/11/22/22/1072112222.db2.gz ILCNYKFYYHRFGF-UHFFFAOYSA-N -1 0 611.779 7.206 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409068210 1072113682 /nfs/dbraw/zinc/11/36/82/1072113682.db2.gz TVUVXIWQGOVVQD-UHFFFAOYSA-N -1 0 656.197 6.585 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409068704 1072108302 /nfs/dbraw/zinc/10/83/02/1072108302.db2.gz BPEPAVHXRSWBGU-WPWMEQJKSA-N -1 0 563.566 5.731 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409067987 1072114065 /nfs/dbraw/zinc/11/40/65/1072114065.db2.gz SAFNIXBNWQFJBG-BUVRLJJBSA-N -1 0 532.980 5.418 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409298900 1072114337 /nfs/dbraw/zinc/11/43/37/1072114337.db2.gz QBSMPQUJJPALEQ-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409298726 1072116108 /nfs/dbraw/zinc/11/61/08/1072116108.db2.gz OBNYEQKDKQVAIF-LJQANCHMSA-N -1 0 578.065 6.290 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)[O-] ZINC000409067703 1072116164 /nfs/dbraw/zinc/11/61/64/1072116164.db2.gz QVOOIVJPWNXUPI-UHFFFAOYSA-N -1 0 669.556 6.649 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409067559 1072116438 /nfs/dbraw/zinc/11/64/38/1072116438.db2.gz FGFLFMAYUALQOU-UHFFFAOYSA-N -1 0 651.554 7.097 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409067583 1072117058 /nfs/dbraw/zinc/11/70/58/1072117058.db2.gz FPHNZQNWFIAQKW-HZHRSRAPSA-N -1 0 581.046 5.210 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409297735 1072130304 /nfs/dbraw/zinc/13/03/04/1072130304.db2.gz KZNKOXYCBUPLFO-UHFFFAOYSA-N -1 0 636.630 7.649 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409298022 1072126236 /nfs/dbraw/zinc/12/62/36/1072126236.db2.gz VIMHCWINKCMGMG-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(O[C@H](C)C(=O)[O-])ccc3ccccc32)cc1C(C)C ZINC000409298015 1072126283 /nfs/dbraw/zinc/12/62/83/1072126283.db2.gz MBUFZWRNFDYTIW-OAQYLSRUSA-N -1 0 549.627 6.391 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000409297757 1072126787 /nfs/dbraw/zinc/12/67/87/1072126787.db2.gz LAPAZUFMSWYLSF-UHFFFAOYSA-N -1 0 505.284 5.068 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079957 1072127441 /nfs/dbraw/zinc/12/74/41/1072127441.db2.gz KKGJLCJKYGUGNX-UHFFFAOYSA-N -1 0 672.518 7.762 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409079229 1072136366 /nfs/dbraw/zinc/13/63/66/1072136366.db2.gz AFHCUJMXIBDXSD-ZRZGVWNLSA-N -1 0 601.168 8.833 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c(I)c3)c2C(=O)NCc2ccco2)C1 ZINC000409079248 1072136403 /nfs/dbraw/zinc/13/64/03/1072136403.db2.gz KSFUPDPFDOCXGB-WFIBAECOSA-N -1 0 641.369 7.245 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1OCC(=O)[O-] ZINC000409314845 1072138861 /nfs/dbraw/zinc/13/88/61/1072138861.db2.gz SSKZNSREZGOBCR-UHFFFAOYSA-N -1 0 607.299 5.714 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409314537 1072143650 /nfs/dbraw/zinc/14/36/50/1072143650.db2.gz GPCVSMCCERUQEN-OAHLLOKOSA-N -1 0 786.202 7.041 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409314376 1072144997 /nfs/dbraw/zinc/14/49/97/1072144997.db2.gz FYLFYULESNSORU-HNNXBMFYSA-N -1 0 576.875 5.993 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409078389 1072145856 /nfs/dbraw/zinc/14/58/56/1072145856.db2.gz CEAPRDKRPMRESF-SPPSCLCCSA-N -1 0 633.553 8.705 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(I)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409078215 1072146933 /nfs/dbraw/zinc/14/69/33/1072146933.db2.gz IBFPZSAYMBBZJY-BNWUJJENSA-N -1 0 627.375 8.519 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000409078243 1072147367 /nfs/dbraw/zinc/14/73/67/1072147367.db2.gz IDVCYELJXHWGPR-VWVHTXQDSA-N -1 0 603.527 7.943 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC000409313830 1072147385 /nfs/dbraw/zinc/14/73/85/1072147385.db2.gz POUOUSQUXSRERE-UHFFFAOYSA-N -1 0 663.750 6.695 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409313555 1072150231 /nfs/dbraw/zinc/15/02/31/1072150231.db2.gz CJVQZLPUTWFSCJ-CYBMUJFWSA-N -1 0 622.270 5.612 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409313397 1072151549 /nfs/dbraw/zinc/15/15/49/1072151549.db2.gz PTYCPWZMIQKSRJ-UHFFFAOYSA-N -1 0 557.448 6.003 40 30 KKEBRM O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Br)c([O-])c(I)c1)CCCC2 ZINC000409086763 1072163861 /nfs/dbraw/zinc/16/38/61/1072163861.db2.gz BAVGVYMUFJYXQR-MRUKODCESA-N -1 0 585.261 5.973 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC000409311485 1072169995 /nfs/dbraw/zinc/16/99/95/1072169995.db2.gz GPXRJMWYHZUPLT-GFCCVEGCSA-N -1 0 660.157 5.769 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)cc([N+](=O)[O-])c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409086108 1072170412 /nfs/dbraw/zinc/17/04/12/1072170412.db2.gz YJAOLMFLVNLGJJ-SMAZRQGKSA-N -1 0 560.470 6.549 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086255 1072168084 /nfs/dbraw/zinc/16/80/84/1072168084.db2.gz YVACXBGDAMLCNB-UHFFFAOYSA-N -1 0 682.126 7.508 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC000409311390 1072172301 /nfs/dbraw/zinc/17/23/01/1072172301.db2.gz ZOVFLRXCXKCNTG-UHFFFAOYSA-N -1 0 677.777 7.086 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1 ZINC000409311463 1072172896 /nfs/dbraw/zinc/17/28/96/1072172896.db2.gz GEWJDTMNRNLFGD-UHFFFAOYSA-N -1 0 610.508 7.519 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409085798 1072173209 /nfs/dbraw/zinc/17/32/09/1072173209.db2.gz ZLCZICNEDGRGNA-SHCJNDJLSA-N -1 0 637.927 7.774 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409311184 1072176285 /nfs/dbraw/zinc/17/62/85/1072176285.db2.gz DQDWTNVHJJIHBQ-UHFFFAOYSA-N -1 0 613.852 6.223 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C ZINC000409310935 1072176898 /nfs/dbraw/zinc/17/68/98/1072176898.db2.gz DFSPDQVIGZHULP-MRXNPFEDSA-N -1 0 551.441 5.426 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1 ZINC000409310496 1072181143 /nfs/dbraw/zinc/18/11/43/1072181143.db2.gz VHQXXRBCCUPMTO-UHFFFAOYSA-N -1 0 673.789 7.782 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000409310426 1072183766 /nfs/dbraw/zinc/18/37/66/1072183766.db2.gz BCVPRYCNTPHBCZ-UHFFFAOYSA-N -1 0 521.415 5.490 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409085011 1072184436 /nfs/dbraw/zinc/18/44/36/1072184436.db2.gz WIJGDIYQNDDQBX-CZRPQPECSA-N -1 0 575.130 8.822 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Br)cc1 ZINC000409084729 1072187337 /nfs/dbraw/zinc/18/73/37/1072187337.db2.gz QDFIELQIBWQGPJ-ZDLGFXPLSA-N -1 0 557.194 5.833 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409083888 1072194465 /nfs/dbraw/zinc/19/44/65/1072194465.db2.gz USLGSTDUMQSCSG-UHFFFAOYSA-N -1 0 604.965 6.947 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083423 1072202423 /nfs/dbraw/zinc/20/24/23/1072202423.db2.gz VIKZGGPOYJOJOD-RGVLZGJSSA-N -1 0 592.948 5.661 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409083132 1072205308 /nfs/dbraw/zinc/20/53/08/1072205308.db2.gz KOOISQZJNXARRD-WSNGUSJXSA-N -1 0 544.673 7.439 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl ZINC000409308529 1072206054 /nfs/dbraw/zinc/20/60/54/1072206054.db2.gz XTCFEZMTLKIXBO-UHFFFAOYSA-N -1 0 542.762 6.116 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc([O-])c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409082427 1072210883 /nfs/dbraw/zinc/21/08/83/1072210883.db2.gz PXHRPNDOBRUWBO-ZJIVOUCISA-N -1 0 545.930 8.024 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409307948 1072215381 /nfs/dbraw/zinc/21/53/81/1072215381.db2.gz WWCLKGHNISMQEH-CQSZACIVSA-N -1 0 683.275 6.740 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2OCC(=O)[O-])cc1C(C)C ZINC000409307916 1072214444 /nfs/dbraw/zinc/21/44/44/1072214444.db2.gz VLNNUONJSWWGDS-UHFFFAOYSA-N -1 0 534.012 5.893 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)cc(I)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409082090 1072217515 /nfs/dbraw/zinc/21/75/15/1072217515.db2.gz RORDOYGTMSVEMM-WFIBAECOSA-N -1 0 641.369 7.245 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409081883 1072218488 /nfs/dbraw/zinc/21/84/88/1072218488.db2.gz QQEGMGZKRRIKGE-BIOVLPJHSA-N -1 0 522.583 6.424 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)cc(Br)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409081781 1072220397 /nfs/dbraw/zinc/22/03/97/1072220397.db2.gz HZRMCEHGFCDBCW-WFIBAECOSA-N -1 0 594.369 7.403 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409316507 1072230481 /nfs/dbraw/zinc/23/04/81/1072230481.db2.gz YOMRPQREGOGIHQ-CYBMUJFWSA-N -1 0 611.718 6.357 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC000409316926 1072226952 /nfs/dbraw/zinc/22/69/52/1072226952.db2.gz NSBTWQLYIDGZAD-UHFFFAOYSA-N -1 0 571.653 5.263 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC000409316210 1072233245 /nfs/dbraw/zinc/23/32/45/1072233245.db2.gz LQHQEBJUBWLPAJ-NSHDSACASA-N -1 0 571.653 5.434 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409315506 1072240204 /nfs/dbraw/zinc/24/02/04/1072240204.db2.gz JPDZWLFAFLVXLW-OAHLLOKOSA-N -1 0 668.326 5.944 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC000409315560 1072240483 /nfs/dbraw/zinc/24/04/83/1072240483.db2.gz VZSXPCYZTDBHBR-UHFFFAOYSA-N -1 0 571.653 5.263 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409326959 1072242835 /nfs/dbraw/zinc/24/28/35/1072242835.db2.gz PBDADIJJBFDPMS-UHFFFAOYSA-N -1 0 618.528 6.788 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC000409326036 1072251670 /nfs/dbraw/zinc/25/16/70/1072251670.db2.gz FUASKERWWWCSHI-MRXNPFEDSA-N -1 0 643.332 6.603 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093145 1072256414 /nfs/dbraw/zinc/25/64/14/1072256414.db2.gz YGGAKBXBIJBSDJ-UHFFFAOYSA-N -1 0 726.442 6.907 40 30 KKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)c1[O-] ZINC000409092365 1072262171 /nfs/dbraw/zinc/26/21/71/1072262171.db2.gz UZYRTQUIUWEBKC-GOQVHDTASA-N -1 0 511.600 5.795 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409092069 1072264879 /nfs/dbraw/zinc/26/48/79/1072264879.db2.gz SRSKJOWVLSSGEE-FOCLHDTISA-N -1 0 511.485 7.370 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(I)cc(I)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409092006 1072267178 /nfs/dbraw/zinc/26/71/78/1072267178.db2.gz SEPKCYMBKQLEMD-RNWQJLHQSA-N -1 0 684.381 7.817 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409323743 1072273673 /nfs/dbraw/zinc/27/36/73/1072273673.db2.gz PMBSPGZBKLDACO-SJORKVTESA-N -1 0 556.457 5.534 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(I)c1 ZINC000409323966 1072270032 /nfs/dbraw/zinc/27/00/32/1072270032.db2.gz QLKUTQKQJHOQPS-QWHCGFSZSA-N -1 0 598.235 5.011 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409323368 1072275455 /nfs/dbraw/zinc/27/54/55/1072275455.db2.gz NXGDLALFAUECNE-UHFFFAOYSA-N -1 0 568.855 6.314 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(Br)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409090359 1072282044 /nfs/dbraw/zinc/28/20/44/1072282044.db2.gz MNLUMQRKZBQBRC-YJDIGNJUSA-N -1 0 580.375 8.677 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)cc(Br)c3[O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409090869 1072278257 /nfs/dbraw/zinc/27/82/57/1072278257.db2.gz QXNQTEYNWVGDOW-SWPMEYALSA-N -1 0 627.185 8.649 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090848 1072278276 /nfs/dbraw/zinc/27/82/76/1072278276.db2.gz PAYNGVDSAQAMFY-VCHYOVAHSA-N -1 0 613.366 6.006 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409090083 1072284518 /nfs/dbraw/zinc/28/45/18/1072284518.db2.gz OPTDPWIKYVWJAP-YITNWSGSSA-N -1 0 596.749 8.188 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409089837 1072287049 /nfs/dbraw/zinc/28/70/49/1072287049.db2.gz KKVKACYJRGSEKP-JDVVABRJSA-N -1 0 600.737 7.459 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC000409321900 1072287434 /nfs/dbraw/zinc/28/74/34/1072287434.db2.gz HSOYVBBILSYVPQ-UHFFFAOYSA-N -1 0 708.201 6.805 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409321884 1072287465 /nfs/dbraw/zinc/28/74/65/1072287465.db2.gz HNXJKDIUXXDNKZ-UHFFFAOYSA-N -1 0 550.409 5.280 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409321658 1072290880 /nfs/dbraw/zinc/29/08/80/1072290880.db2.gz UIPUEMGKEDTXCM-UHFFFAOYSA-N -1 0 568.855 6.314 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409320839 1072296604 /nfs/dbraw/zinc/29/66/04/1072296604.db2.gz CODRVNMDKWKLCH-INIZCTEOSA-N -1 0 579.407 5.740 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409088666 1072297074 /nfs/dbraw/zinc/29/70/74/1072297074.db2.gz GIOQOTOKVUTJIR-SZTMRNLOSA-N -1 0 665.639 9.495 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409320447 1072301044 /nfs/dbraw/zinc/30/10/44/1072301044.db2.gz AXNZDGDJDWJRKU-QGZVFWFLSA-N -1 0 534.410 5.832 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409320283 1072302542 /nfs/dbraw/zinc/30/25/42/1072302542.db2.gz PUIOGYFYEYTOHG-UHFFFAOYSA-N -1 0 554.828 5.924 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087943 1072304840 /nfs/dbraw/zinc/30/48/40/1072304840.db2.gz DBQGOGPNUNOMRU-CPNJWEJPSA-N -1 0 615.948 6.853 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087936 1072304917 /nfs/dbraw/zinc/30/49/17/1072304917.db2.gz VCPDWNIERCVOFB-UHFFFAOYSA-N -1 0 696.719 8.303 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409319268 1072312129 /nfs/dbraw/zinc/31/21/29/1072312129.db2.gz CRLGOFXTSKIWOI-UHFFFAOYSA-N -1 0 598.881 6.323 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Br)c1 ZINC000409318348 1072319603 /nfs/dbraw/zinc/31/96/03/1072319603.db2.gz UXHDPBCFXIPKAO-UHFFFAOYSA-N -1 0 673.789 7.782 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC000409318379 1072319661 /nfs/dbraw/zinc/31/96/61/1072319661.db2.gz VZZGWUFKPRWAML-NSHDSACASA-N -1 0 646.130 5.379 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl ZINC000409318378 1072319756 /nfs/dbraw/zinc/31/97/56/1072319756.db2.gz VDILNWVBUWHWHS-UHFFFAOYSA-N -1 0 553.240 5.859 40 30 KKEBRM O=C([O-])COc1ccc2ccccc2c1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409317600 1072327668 /nfs/dbraw/zinc/32/76/68/1072327668.db2.gz RBHDDNGZSAFHLN-UHFFFAOYSA-N -1 0 534.410 5.706 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC000409317461 1072328838 /nfs/dbraw/zinc/32/88/38/1072328838.db2.gz QHJNUGWYJULUIR-UHFFFAOYSA-N -1 0 564.436 5.670 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC000409336697 1072329391 /nfs/dbraw/zinc/32/93/91/1072329391.db2.gz UDGWJVCCLHUZKG-OAHLLOKOSA-N -1 0 677.777 7.256 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409336730 1072329884 /nfs/dbraw/zinc/32/98/84/1072329884.db2.gz UIJOGKROBIAPGD-GFCCVEGCSA-N -1 0 585.680 5.652 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCC(=O)Nc1ccccc1Cl ZINC000409336563 1072331258 /nfs/dbraw/zinc/33/12/58/1072331258.db2.gz PRHCRJJSVWYUMS-NEORNSOTSA-N -1 0 500.001 5.240 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)SC2=N)s1 ZINC000409336357 1072331653 /nfs/dbraw/zinc/33/16/53/1072331653.db2.gz NUTFPMSTIRFLQR-OXHSWEJPSA-N -1 0 550.503 7.013 40 30 KKEBRM CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409098200 1072332680 /nfs/dbraw/zinc/33/26/80/1072332680.db2.gz KFFMHPCBGVRTQB-XODNFHPESA-N -1 0 503.433 5.736 40 30 KKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(I)cc1 ZINC000409335566 1072339041 /nfs/dbraw/zinc/33/90/41/1072339041.db2.gz KHBINNPSDVBKCL-RQUYWDQNSA-N -1 0 505.406 5.573 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409334713 1072343611 /nfs/dbraw/zinc/34/36/11/1072343611.db2.gz IEOCXZMIOFWIGE-APMCVFLVSA-N -1 0 534.490 6.803 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409334522 1072346357 /nfs/dbraw/zinc/34/63/57/1072346357.db2.gz SMGORSRRWOIXOU-INIZCTEOSA-N -1 0 598.881 6.494 40 30 KKEBRM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)cc(I)c1[O-] ZINC000409105865 1072347483 /nfs/dbraw/zinc/34/74/83/1072347483.db2.gz JJRHHLYCAXSUDY-IOXNKQMXSA-N -1 0 530.038 5.132 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=N)s1 ZINC000409333806 1072352037 /nfs/dbraw/zinc/35/20/37/1072352037.db2.gz CZAUVVBUAAFBDX-XMPNPVODSA-N -1 0 530.469 5.868 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000409333276 1072354560 /nfs/dbraw/zinc/35/45/60/1072354560.db2.gz OASZFBRUXSRIET-UHFFFAOYSA-N -1 0 684.341 7.037 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409332031 1072365492 /nfs/dbraw/zinc/36/54/92/1072365492.db2.gz JHQSARWHKKPISE-STQMWFEESA-N -1 0 674.184 6.330 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409332465 1072361680 /nfs/dbraw/zinc/36/16/80/1072361680.db2.gz QXLWQUOLKXUHLZ-HMAPJEAMSA-N -1 0 557.118 6.264 40 30 KKEBRM COc1c([O-])c(Br)cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000409331092 1072371687 /nfs/dbraw/zinc/37/16/87/1072371687.db2.gz CGRUJNMXTWAUNC-QFIPXVFZSA-N -1 0 523.383 6.534 40 30 KKEBRM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)c1 ZINC000409113150 1072386582 /nfs/dbraw/zinc/38/65/82/1072386582.db2.gz GTTCIKSXRKAHNX-WNYPXRMOSA-N -1 0 507.615 6.412 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC000409327706 1072397990 /nfs/dbraw/zinc/39/79/90/1072397990.db2.gz WMYPGSDZNGMBAG-STQMWFEESA-N -1 0 506.784 5.060 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC000409327626 1072399761 /nfs/dbraw/zinc/39/97/61/1072399761.db2.gz VHUSOMQONBGRSS-FQEVSTJZSA-N -1 0 627.539 7.239 40 30 KKEBRM CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409109157 1072400950 /nfs/dbraw/zinc/40/09/50/1072400950.db2.gz YQJQBPXFGCWTNV-VPUKRXIYSA-N -1 0 538.320 5.985 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409327437 1072401260 /nfs/dbraw/zinc/40/12/60/1072401260.db2.gz TZDUTPRTKPVBEA-UHFFFAOYSA-N -1 0 623.460 5.968 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Br)c1OCc1ccccc1 ZINC000409336998 1072406424 /nfs/dbraw/zinc/40/64/24/1072406424.db2.gz SFCBMRNPYUJIFC-BDWPSNFJSA-N -1 0 501.427 5.911 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337473 1072493264 /nfs/dbraw/zinc/49/32/64/1072493264.db2.gz VFGUGSFBJULVLZ-ZHICUMMLSA-N -1 0 580.323 6.674 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409337544 1072493880 /nfs/dbraw/zinc/49/38/80/1072493880.db2.gz YVJRZWAYSOVAQW-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409337464 1072496233 /nfs/dbraw/zinc/49/62/33/1072496233.db2.gz VDQAVPQIPVXHBA-JBCBYVDOSA-N -1 0 656.365 6.473 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409356417 1072503216 /nfs/dbraw/zinc/50/32/16/1072503216.db2.gz GLWDPWRMBRCGEF-NRFANRHFSA-N -1 0 542.061 5.064 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409356418 1072503378 /nfs/dbraw/zinc/50/33/78/1072503378.db2.gz GLWDPWRMBRCGEF-OAQYLSRUSA-N -1 0 542.061 5.064 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409130200 1072516083 /nfs/dbraw/zinc/51/60/83/1072516083.db2.gz KQXKJZBOWVOLDE-VFCFBJKWSA-N -1 0 557.668 6.760 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409352526 1072527064 /nfs/dbraw/zinc/52/70/64/1072527064.db2.gz ZMNKRWCSXHKWEO-NRFANRHFSA-N -1 0 562.479 5.327 40 30 KKEBRM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccccc1C#N ZINC000409351112 1072538434 /nfs/dbraw/zinc/53/84/34/1072538434.db2.gz ZNKANOPKYQWYQB-LPYMAVHISA-N -1 0 521.645 5.144 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409357771 1072566120 /nfs/dbraw/zinc/56/61/20/1072566120.db2.gz KEHYIYIIUHZZFE-OAQYLSRUSA-N -1 0 562.479 5.327 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409137787 1072573978 /nfs/dbraw/zinc/57/39/78/1072573978.db2.gz XYAXLJFQRCQBHU-AFUMVMLFSA-N -1 0 639.532 6.769 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409145608 1072586854 /nfs/dbraw/zinc/58/68/54/1072586854.db2.gz RESVXCHUDTUEST-YZSQISJMSA-N -1 0 669.152 5.694 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409375220 1072633306 /nfs/dbraw/zinc/63/33/06/1072633306.db2.gz HILHSZQWUQGHNI-KOEQRZSOSA-N -1 0 512.631 5.396 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409375131 1072634308 /nfs/dbraw/zinc/63/43/08/1072634308.db2.gz FZZHANKTFUMAHL-YZSQISJMSA-N -1 0 571.655 5.695 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409374975 1072634345 /nfs/dbraw/zinc/63/43/45/1072634345.db2.gz CLKOXVQIEKOTIF-PCLIKHOPSA-N -1 0 547.076 6.050 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409370037 1072655829 /nfs/dbraw/zinc/65/58/29/1072655829.db2.gz JWAHYILRJLQFFG-PCLIKHOPSA-N -1 0 557.628 5.305 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386078 1072690104 /nfs/dbraw/zinc/69/01/04/1072690104.db2.gz OIPFQZAOTGYNKG-JMIUGGIZSA-N -1 0 546.501 6.931 40 30 KKEBRM COc1ccccc1Oc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1 ZINC000409384592 1072698421 /nfs/dbraw/zinc/69/84/21/1072698421.db2.gz DQWUBQIBQHFFOR-OCSSWDANSA-N -1 0 500.620 7.284 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409381065 1072714657 /nfs/dbraw/zinc/71/46/57/1072714657.db2.gz DOIXFJLVBGXVAP-PCLIKHOPSA-N -1 0 530.621 5.536 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000409380700 1072715860 /nfs/dbraw/zinc/71/58/60/1072715860.db2.gz BHCWVEYDGUVKRT-YZSQISJMSA-N -1 0 526.658 5.705 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409172806 1072730713 /nfs/dbraw/zinc/73/07/13/1072730713.db2.gz LOUFQHFXKRPBLZ-FSJBWODESA-N -1 0 626.428 5.685 40 30 KKEBRM Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387963 1072741202 /nfs/dbraw/zinc/74/12/02/1072741202.db2.gz ZGJYQDMXRJQLIG-OKCVXOCRSA-N -1 0 505.039 7.929 40 30 KKEBRM O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409405980 1072760120 /nfs/dbraw/zinc/76/01/20/1072760120.db2.gz PNZVOZNYVMGQNR-UHFFFAOYSA-N -1 0 578.058 5.939 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409405804 1072760580 /nfs/dbraw/zinc/76/05/80/1072760580.db2.gz VPHPOPZLLLPQOM-UHFFFAOYSA-N -1 0 550.527 5.140 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(CC=C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186223 1072762325 /nfs/dbraw/zinc/76/23/25/1072762325.db2.gz ZCSYFJMGXZNUAU-FNQIZDKISA-N -1 0 661.780 6.272 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409404236 1072767405 /nfs/dbraw/zinc/76/74/05/1072767405.db2.gz OTSALYLNYMGSRL-UHFFFAOYSA-N -1 0 663.322 6.757 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)c1 ZINC000409403898 1072768249 /nfs/dbraw/zinc/76/82/49/1072768249.db2.gz NLRJDSWBDWEZED-UHFFFAOYSA-N -1 0 601.400 5.828 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409402286 1072777648 /nfs/dbraw/zinc/77/76/48/1072777648.db2.gz HAVPELFRRFHHTM-UHFFFAOYSA-N -1 0 545.595 5.960 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409402039 1072778031 /nfs/dbraw/zinc/77/80/31/1072778031.db2.gz GCGSZQZUYUAAJL-UHFFFAOYSA-N -1 0 584.426 5.994 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409400987 1072782439 /nfs/dbraw/zinc/78/24/39/1072782439.db2.gz BLAWIRRQJWLBNZ-UHFFFAOYSA-N -1 0 631.426 5.836 40 30 KKEBRM O=C(CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1)N=C1C=CC(=S(=O)([O-])N2CCCCC2)C=C1 ZINC000409416062 1072784777 /nfs/dbraw/zinc/78/47/77/1072784777.db2.gz WYXOGQFTNLRFOJ-UHFFFAOYSA-N -1 0 567.136 5.709 40 30 KKEBRM CC1CCN(S(=O)([O-])=C2C=CC(=NC(=O)CSc3ncnc4scc(-c5ccc(Cl)cc5)c43)C=C2)CC1 ZINC000409415956 1072785394 /nfs/dbraw/zinc/78/53/94/1072785394.db2.gz YDAXEIFQYBMTGO-UHFFFAOYSA-N -1 0 573.165 5.774 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409194532 1072844208 /nfs/dbraw/zinc/84/42/08/1072844208.db2.gz OSJDJJIQGUVTBO-VUTHCHCSSA-N -1 0 612.723 6.551 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409190523 1072868955 /nfs/dbraw/zinc/86/89/55/1072868955.db2.gz PEDTVLAITVUDHV-DEDYPNTBSA-N -1 0 587.467 5.262 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409189386 1072877356 /nfs/dbraw/zinc/87/73/56/1072877356.db2.gz GBDHYWVEPDMAFM-YZSQISJMSA-N -1 0 669.152 5.694 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409203490 1072909604 /nfs/dbraw/zinc/90/96/04/1072909604.db2.gz XLKBVLJJQFLGGL-KZINRLMESA-N -1 0 594.471 5.666 40 30 KKEBRM COc1cccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531122582 1072936761 /nfs/dbraw/zinc/93/67/61/1072936761.db2.gz POGUUJQOYAHAQE-MNDYBZJGSA-N -1 0 564.436 5.625 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531123946 1072937228 /nfs/dbraw/zinc/93/72/28/1072937228.db2.gz PJFGIHAGVIBDQZ-NUJZUDFISA-N -1 0 579.407 5.524 40 30 KKEBRM C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC001531123963 1072937259 /nfs/dbraw/zinc/93/72/59/1072937259.db2.gz RAXHNSPUBOARKU-FQRKCSMNSA-N -1 0 556.457 5.318 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531131365 1072939449 /nfs/dbraw/zinc/93/94/49/1072939449.db2.gz SUFUFQGZJQHGHP-AAPHRLRXSA-N -1 0 647.751 7.032 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531134515 1072940449 /nfs/dbraw/zinc/94/04/49/1072940449.db2.gz FBYNWUPVVOTDLL-CPDSRJINSA-N -1 0 613.306 6.378 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531150710 1072946044 /nfs/dbraw/zinc/94/60/44/1072946044.db2.gz BPQWPBGKRDCSMB-AQLQTECXSA-N -1 0 643.332 6.387 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC001531157466 1072948814 /nfs/dbraw/zinc/94/88/14/1072948814.db2.gz BXZOFSCIVQFNRP-UGGZHSSNSA-N -1 0 585.680 5.607 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC001531157478 1072949380 /nfs/dbraw/zinc/94/93/80/1072949380.db2.gz FTBXFYJKLCZNKI-MWYAZZEHSA-N -1 0 571.653 5.218 40 30 KKEBRM CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409214921 1072951632 /nfs/dbraw/zinc/95/16/32/1072951632.db2.gz YVGMXPBTSDSAIV-MZJWZYIUSA-N -1 0 529.374 6.335 40 30 KKEBRM CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409213406 1072955581 /nfs/dbraw/zinc/95/55/81/1072955581.db2.gz UIKICGFFMKWNLX-VULFUBBASA-N -1 0 515.347 6.026 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531180521 1072957309 /nfs/dbraw/zinc/95/73/09/1072957309.db2.gz IPTVBOTZLBVGQL-WKULSOCRSA-N -1 0 550.409 5.280 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-] ZINC001531209858 1072967832 /nfs/dbraw/zinc/96/78/32/1072967832.db2.gz IIPNVHPLKVXYDD-WQBBPGTOSA-N -1 0 585.680 5.607 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531224025 1072972576 /nfs/dbraw/zinc/97/25/76/1072972576.db2.gz HZGRAGVCIWZFCA-AAPHRLRXSA-N -1 0 647.751 7.032 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC001531224072 1072973185 /nfs/dbraw/zinc/97/31/85/1072973185.db2.gz SRIASMQIHVEDIV-MWYAZZEHSA-N -1 0 527.202 5.109 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531229537 1072977992 /nfs/dbraw/zinc/97/79/92/1072977992.db2.gz ANWFKLVDDKDALI-ZNIRGWDNSA-N -1 0 613.306 6.594 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c1 ZINC001531230351 1072980353 /nfs/dbraw/zinc/98/03/53/1072980353.db2.gz TZUSWAFPUQNUJO-UZGQRAPBSA-N -1 0 628.261 5.020 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409223292 1072989163 /nfs/dbraw/zinc/98/91/63/1072989163.db2.gz YSYVZRWXCZXJQA-YDZHTSKRSA-N -1 0 557.455 6.869 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC001531238682 1072993841 /nfs/dbraw/zinc/99/38/41/1072993841.db2.gz PBAJTZBLMVVEAA-ROPCREHHSA-N -1 0 691.804 7.476 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531238787 1072994908 /nfs/dbraw/zinc/99/49/08/1072994908.db2.gz XJERMEIJOACLNR-FJEPWZHXSA-N -1 0 609.433 5.578 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531242272 1072995162 /nfs/dbraw/zinc/99/51/62/1072995162.db2.gz ARJOQNZARKVSLN-WKULSOCRSA-N -1 0 579.407 5.569 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531245263 1073003456 /nfs/dbraw/zinc/00/34/56/1073003456.db2.gz VQJWZPUSRAFJPV-WKULSOCRSA-N -1 0 550.409 5.280 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531256480 1073012973 /nfs/dbraw/zinc/01/29/73/1073012973.db2.gz BGBCSOZMQWYWTN-WCMJOSRZSA-N -1 0 557.448 6.085 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC001531256574 1073014352 /nfs/dbraw/zinc/01/43/52/1073014352.db2.gz OTJIVIVRSBEVIF-HCMVPMCOSA-N -1 0 542.430 5.144 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531256555 1073014360 /nfs/dbraw/zinc/01/43/60/1073014360.db2.gz NLUWCJZEQPJRHN-KBVAKVRCSA-N -1 0 577.479 5.727 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531256668 1073014628 /nfs/dbraw/zinc/01/46/28/1073014628.db2.gz QLVHTWXJMSPOQI-IPPBACCNSA-N -1 0 599.279 6.033 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC001531265153 1073025637 /nfs/dbraw/zinc/02/56/37/1073025637.db2.gz UHPSDZXGJYPAQE-DPNNOFEESA-N -1 0 584.470 6.814 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S1 ZINC000409228254 1073029001 /nfs/dbraw/zinc/02/90/01/1073029001.db2.gz WLVYTHFVLCMINQ-WSDLNYQXSA-N -1 0 557.853 6.580 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC001531269669 1073032595 /nfs/dbraw/zinc/03/25/95/1073032595.db2.gz BOPRZGHLCDMXBI-ABTNGYCASA-N -1 0 558.068 5.785 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531275205 1073036262 /nfs/dbraw/zinc/03/62/62/1073036262.db2.gz FQWIBHRBKCTLNO-YJDIGNJUSA-N -1 0 613.852 6.394 40 30 KKEBRM C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409234940 1073047390 /nfs/dbraw/zinc/04/73/90/1073047390.db2.gz AZWQPUOIYQRQDA-WGOQTCKBSA-N -1 0 526.589 5.492 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OCC)c1 ZINC001531285024 1073052083 /nfs/dbraw/zinc/05/20/83/1073052083.db2.gz CXYRGBGZUNSMEJ-UQJRAWQTSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC001531285302 1073053421 /nfs/dbraw/zinc/05/34/21/1073053421.db2.gz QKMIPMXKZWUKDU-IURWMYGYSA-N -1 0 708.201 6.805 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409232941 1073057942 /nfs/dbraw/zinc/05/79/42/1073057942.db2.gz JESPBRKLHZNBOJ-IZFVKCGISA-N -1 0 560.647 6.854 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409231780 1073063352 /nfs/dbraw/zinc/06/33/52/1073063352.db2.gz KPBFYVNFPMKJIT-XDHOZWIPSA-N -1 0 519.026 5.534 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409231899 1073063981 /nfs/dbraw/zinc/06/39/81/1073063981.db2.gz LRYAMSXUCXYCME-MUPPFUMXSA-N -1 0 502.592 5.394 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@@H](C)C(=O)[O-] ZINC001531292552 1073064424 /nfs/dbraw/zinc/06/44/24/1073064424.db2.gz UMZAWNYEBLXEJU-UFOJXWSGSA-N -1 0 551.235 5.169 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531292676 1073064726 /nfs/dbraw/zinc/06/47/26/1073064726.db2.gz ZTZRXBLHBSBOEB-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409246882 1073073309 /nfs/dbraw/zinc/07/33/09/1073073309.db2.gz KNYOKWCQFQHEQU-ODJLBJFPSA-N -1 0 606.223 5.234 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1OCC(=O)[O-] ZINC001531309915 1073085237 /nfs/dbraw/zinc/08/52/37/1073085237.db2.gz NMNSDKPSKGJVAQ-CZSGUXBISA-N -1 0 660.157 5.942 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531311707 1073088706 /nfs/dbraw/zinc/08/87/06/1073088706.db2.gz BWDNEOQFMVATGU-FJEPWZHXSA-N -1 0 613.306 6.424 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409244455 1073089160 /nfs/dbraw/zinc/08/91/60/1073089160.db2.gz CYUOHIVQZUAEQM-XQNSMLJCSA-N -1 0 511.596 5.164 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531318711 1073095620 /nfs/dbraw/zinc/09/56/20/1073095620.db2.gz UGOGEMZJSNMFFI-HWFREFBRSA-N -1 0 657.359 6.993 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409242353 1073097447 /nfs/dbraw/zinc/09/74/47/1073097447.db2.gz REJHPRAIVOESCA-FYSQBISVSA-N -1 0 570.259 5.308 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531325594 1073100964 /nfs/dbraw/zinc/10/09/64/1073100964.db2.gz WSMZQMKPQGRFOW-XHWYIDKJSA-N -1 0 604.501 6.569 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC001531325616 1073101466 /nfs/dbraw/zinc/10/14/66/1073101466.db2.gz XNQQIKLUAPVJKQ-DXRBVMPTSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC001531326635 1073106628 /nfs/dbraw/zinc/10/66/28/1073106628.db2.gz QCCTUDYQYJSPOU-JKPUNKBFSA-N -1 0 571.653 5.434 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531326701 1073107117 /nfs/dbraw/zinc/10/71/17/1073107117.db2.gz OVICLSCLKGGDBB-IPPBACCNSA-N -1 0 646.279 5.876 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409240369 1073109891 /nfs/dbraw/zinc/10/98/91/1073109891.db2.gz SYSBZHRDNSRPRA-GYLBKSORSA-N -1 0 658.514 6.600 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531329102 1073110276 /nfs/dbraw/zinc/11/02/76/1073110276.db2.gz BGWNPGSMKGSUDG-WGNGTQIVSA-N -1 0 613.306 6.594 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1 ZINC001531333411 1073118288 /nfs/dbraw/zinc/11/82/88/1073118288.db2.gz NKMFAGCBUKUKPF-YPQDEONXSA-N -1 0 724.131 5.616 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC001531336970 1073120834 /nfs/dbraw/zinc/12/08/34/1073120834.db2.gz GYABFMJCWBDHSU-XMUSQBDYSA-N -1 0 596.232 5.077 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531339530 1073126015 /nfs/dbraw/zinc/12/60/15/1073126015.db2.gz VCWPTVOJTMBOMU-QOYIUKKDSA-N -1 0 571.475 6.564 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Br)c1Br ZINC001531340928 1073130334 /nfs/dbraw/zinc/13/03/34/1073130334.db2.gz YHQAVJNEYQPZIK-LLBBJIQCSA-N -1 0 646.130 5.552 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531342959 1073133528 /nfs/dbraw/zinc/13/35/28/1073133528.db2.gz UIJOGKROBIAPGD-BUGPSZFBSA-N -1 0 585.680 5.652 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531347254 1073136372 /nfs/dbraw/zinc/13/63/72/1073136372.db2.gz WORWGCJCRSVMJO-YPQDEONXSA-N -1 0 585.680 5.823 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531347409 1073137456 /nfs/dbraw/zinc/13/74/56/1073137456.db2.gz CXMUJATXTRRPIH-XAZZYMPDSA-N -1 0 647.751 7.077 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC001531347718 1073139570 /nfs/dbraw/zinc/13/95/70/1073139570.db2.gz TXVZKNAXHNLXOV-RWPZCVJISA-N -1 0 520.383 5.271 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC001531351048 1073141466 /nfs/dbraw/zinc/14/14/66/1073141466.db2.gz JHQSARWHKKPISE-FNHGHSEXSA-N -1 0 674.184 6.330 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC001531351417 1073143177 /nfs/dbraw/zinc/14/31/77/1073143177.db2.gz RPAKIKXDXOFUCP-JKPUNKBFSA-N -1 0 527.202 5.325 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531382694 1073146253 /nfs/dbraw/zinc/14/62/53/1073146253.db2.gz HAVPELFRRFHHTM-QXUDOOCXSA-N -1 0 545.595 5.960 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)cc1 ZINC001531383175 1073150599 /nfs/dbraw/zinc/15/05/99/1073150599.db2.gz CHTVIOJTYYYESE-KPGMTVGESA-N -1 0 633.296 6.748 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)c1 ZINC001531384144 1073157276 /nfs/dbraw/zinc/15/72/76/1073157276.db2.gz DADMSTVPAHPBFW-KPGMTVGESA-N -1 0 588.845 6.639 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC001531384266 1073158147 /nfs/dbraw/zinc/15/81/47/1073158147.db2.gz FMGJGJWGUSBZDI-ZKJHFGPLSA-N -1 0 526.774 5.214 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531384922 1073162847 /nfs/dbraw/zinc/16/28/47/1073162847.db2.gz NOJLZLYNUVDYCG-ZMOBYHMNSA-N -1 0 556.800 5.222 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531385448 1073167166 /nfs/dbraw/zinc/16/71/66/1073167166.db2.gz UVXLPVOCLAOTGU-MHDJOFBISA-N -1 0 618.871 6.647 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC001531385647 1073169131 /nfs/dbraw/zinc/16/91/31/1073169131.db2.gz ZYPFYPDHAHWIPM-WCMJOSRZSA-N -1 0 554.946 5.785 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409252366 1073187545 /nfs/dbraw/zinc/18/75/45/1073187545.db2.gz XLNRSRBAJKEMOC-WSDLNYQXSA-N -1 0 543.428 6.479 40 30 KKEBRM C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(=C([O-])c3ccc(O)c(O)c3)C1=O)C2=O ZINC000005543717 1073201768 /nfs/dbraw/zinc/20/17/68/1073201768.db2.gz QDKLRKZQSOQWJQ-AKAMJVKKSA-N -1 0 602.812 8.915 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409276207 1073292142 /nfs/dbraw/zinc/29/21/42/1073292142.db2.gz OZXQGQCFBSJKSJ-UHFFFAOYSA-N -1 0 604.501 6.765 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)n([C@@H](C)C(=O)[O-])c4ccccc34)cc21 ZINC000409276008 1073293805 /nfs/dbraw/zinc/29/38/05/1073293805.db2.gz NVDQVQIOFZXTLM-SFHVURJKSA-N -1 0 520.545 5.609 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409275881 1073295805 /nfs/dbraw/zinc/29/58/05/1073295805.db2.gz MLCMUGARJLFEBC-UHFFFAOYSA-N -1 0 717.370 7.893 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409274703 1073306734 /nfs/dbraw/zinc/30/67/34/1073306734.db2.gz FVJDLBZZHLGCNV-LBPRGKRZSA-N -1 0 674.184 6.114 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409274623 1073307559 /nfs/dbraw/zinc/30/75/59/1073307559.db2.gz DZWVURSIGQLFDG-UHFFFAOYSA-N -1 0 712.079 6.369 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Cl ZINC000409274449 1073310460 /nfs/dbraw/zinc/31/04/60/1073310460.db2.gz DBJYRHRFTTUDRB-UHFFFAOYSA-N -1 0 501.848 5.081 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409277252 1073322107 /nfs/dbraw/zinc/32/21/07/1073322107.db2.gz BHGQFVTWUHNGPX-UHFFFAOYSA-N -1 0 631.486 7.464 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)cc1C(C)C ZINC000409277067 1073323442 /nfs/dbraw/zinc/32/34/42/1073323442.db2.gz AZHNVUFRFHDANY-UHFFFAOYSA-N -1 0 698.614 8.215 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409276735 1073325963 /nfs/dbraw/zinc/32/59/63/1073325963.db2.gz VQXDWUKJBRPLOF-UHFFFAOYSA-N -1 0 585.252 5.643 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1I)C(=O)[O-] ZINC000409287257 1073337182 /nfs/dbraw/zinc/33/71/82/1073337182.db2.gz STWRHYCXDFRHAI-ZDUSSCGKSA-N -1 0 733.222 6.026 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409286887 1073341935 /nfs/dbraw/zinc/34/19/35/1073341935.db2.gz RCPJCZYJIPBCLV-UHFFFAOYSA-N -1 0 550.409 5.280 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409285946 1073350645 /nfs/dbraw/zinc/35/06/45/1073350645.db2.gz YAZFKVVLGOMGRY-FQEVSTJZSA-N -1 0 513.594 5.628 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409285911 1073353738 /nfs/dbraw/zinc/35/37/38/1073353738.db2.gz PEEURUWDUBGGBU-UHFFFAOYSA-N -1 0 722.228 7.150 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409285550 1073355673 /nfs/dbraw/zinc/35/56/73/1073355673.db2.gz UGWSMBAUMVYSLE-UHFFFAOYSA-N -1 0 596.083 7.317 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409285109 1073360609 /nfs/dbraw/zinc/36/06/09/1073360609.db2.gz MVADMJYTVCRJLM-UHFFFAOYSA-N -1 0 585.252 5.643 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc(OC)c3O[C@H](C)C(=O)[O-])cc21 ZINC000409285136 1073360826 /nfs/dbraw/zinc/36/08/26/1073360826.db2.gz VLJAOECCMUNAFP-OAHLLOKOSA-N -1 0 592.402 5.324 40 30 KKEBRM C[C@@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409285196 1073361542 /nfs/dbraw/zinc/36/15/42/1073361542.db2.gz VQXBLVRQJUEJOW-MRXNPFEDSA-N -1 0 530.968 5.263 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409285185 1073361558 /nfs/dbraw/zinc/36/15/58/1073361558.db2.gz VPHJQVJZTOABDR-UHFFFAOYSA-N -1 0 620.662 6.962 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc(OC)c3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409284865 1073363998 /nfs/dbraw/zinc/36/39/98/1073363998.db2.gz MGKFNEKZIJULTF-UHFFFAOYSA-N -1 0 654.473 6.749 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc([N+](=O)[O-])c3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409284085 1073371716 /nfs/dbraw/zinc/37/17/16/1073371716.db2.gz SFTBFNWPDZJBKE-UHFFFAOYSA-N -1 0 669.444 6.648 40 30 KKEBRM C[C@@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1I)C(=O)[O-] ZINC000409283970 1073373635 /nfs/dbraw/zinc/37/36/35/1073373635.db2.gz RTTNVDDQONLBKU-CYBMUJFWSA-N -1 0 784.142 6.516 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCC(=O)[O-] ZINC000409283484 1073377674 /nfs/dbraw/zinc/37/76/74/1073377674.db2.gz QRCPASBBYSRDLX-UHFFFAOYSA-N -1 0 627.245 5.689 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409283437 1073380242 /nfs/dbraw/zinc/38/02/42/1073380242.db2.gz QLKRTXHMEPIHRC-UHFFFAOYSA-N -1 0 664.715 7.360 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409283436 1073380367 /nfs/dbraw/zinc/38/03/67/1073380367.db2.gz IZFWGHQMMMNDJD-UHFFFAOYSA-N -1 0 570.602 5.911 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409283100 1073383362 /nfs/dbraw/zinc/38/33/62/1073383362.db2.gz QKXUUMWCYPORLL-SFHVURJKSA-N -1 0 701.412 7.162 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCC(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409282832 1073386888 /nfs/dbraw/zinc/38/68/88/1073386888.db2.gz OFAYAMKOMCVJFC-UHFFFAOYSA-N -1 0 656.961 7.054 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409282579 1073387645 /nfs/dbraw/zinc/38/76/45/1073387645.db2.gz HJLMTPZWUCLAFZ-LJQANCHMSA-N -1 0 578.065 6.290 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409282388 1073392056 /nfs/dbraw/zinc/39/20/56/1073392056.db2.gz OJRBHQGQPYNOIH-IBGZPJMESA-N -1 0 529.593 5.247 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409281953 1073396927 /nfs/dbraw/zinc/39/69/27/1073396927.db2.gz NOWUFDNDJJNDSQ-UHFFFAOYSA-N -1 0 571.225 5.389 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409281625 1073399925 /nfs/dbraw/zinc/39/99/25/1073399925.db2.gz FBYNWUPVVOTDLL-UHFFFAOYSA-N -1 0 613.306 6.378 40 30 KKEBRM CCCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OCC ZINC000409051184 195501668 /nfs/dbraw/zinc/50/16/68/195501668.db2.gz BOCNXIYGULNQBQ-LETHEXBRSA-N -1 0 580.444 5.801 40 30 KKEBRM Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Br)cc(Br)c4[O-])c3)oc2c1 ZINC000002826191 552197253 /nfs/dbraw/zinc/19/72/53/552197253.db2.gz AZAOUUHYIGHAJZ-OPEKNORGSA-N -1 0 500.190 7.093 40 30 KKEBRM Cc1cc2nc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4[O-])c3)oc2c(C)c1 ZINC000003094532 552287021 /nfs/dbraw/zinc/28/70/21/552287021.db2.gz IWPOZGIYCFYEMU-OPEKNORGSA-N -1 0 500.190 7.093 40 30 KKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000003162551 552297784 /nfs/dbraw/zinc/29/77/84/552297784.db2.gz GIRSSMACDNZLPH-PGGKNCGUSA-N -1 0 507.127 6.929 40 30 KKEBRM CC(=O)O[C@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000004777868 552481535 /nfs/dbraw/zinc/48/15/35/552481535.db2.gz FTQDJVZNPJRVPG-QUMMONJWSA-N -1 0 512.731 6.983 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000005940053 552513439 /nfs/dbraw/zinc/51/34/39/552513439.db2.gz UNSZGLILXVYAFK-VULFUBBASA-N -1 0 508.478 5.259 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(C2CCCCC2)cc1 ZINC000012561286 553394570 /nfs/dbraw/zinc/39/45/70/553394570.db2.gz AULPIWXBOOZXKM-TURZUDJPSA-N -1 0 522.627 6.288 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3)cc2)cc1 ZINC000012652352 553409977 /nfs/dbraw/zinc/40/99/77/553409977.db2.gz TVDYBERBKSMHOB-OVVQPSECSA-N -1 0 502.552 5.517 40 30 KKEBRM O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc([O-])c(-c4nc5ccccc5o4)c3)o2)c(Br)c1 ZINC000016545306 553567663 /nfs/dbraw/zinc/56/76/63/553567663.db2.gz DCCZOXXEOJRQAQ-LGJNPRDNSA-N -1 0 504.296 6.882 40 30 KKEBRM COC(=O)C(=C([O-])C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 ZINC000082190852 553675858 /nfs/dbraw/zinc/67/58/58/553675858.db2.gz RFXGTFMPZFBPSY-RUZDIDTESA-N -1 0 635.580 6.704 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000084597139 553677576 /nfs/dbraw/zinc/67/75/76/553677576.db2.gz YSDFKOUUBRUKRX-PCYGFIDKSA-N -1 0 550.636 6.777 40 30 KKEBRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000085540268 553683128 /nfs/dbraw/zinc/68/31/28/553683128.db2.gz JTZZSQYMACOLNN-VDWJNHBNSA-N -1 0 749.956 6.094 40 30 in-man KKEBRM O=S(=O)([O-])c1ccc(Nc2ccc(C(c3ccc(Nc4ccc(S(=O)(=O)[O-])cc4)cc3)=C3C=CC(=[NH+]c4ccccc4)C=C3)cc2)cc1 ZINC000095100994 553699842 /nfs/dbraw/zinc/69/98/42/553699842.db2.gz ZOVMQUZQVRSCBS-UHFFFAOYSA-N -1 0 675.788 8.368 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N/N=C/c2c(-c3ccccc3)nc3sccn23)c([N+](=O)[O-])c1 ZINC000096022700 553722314 /nfs/dbraw/zinc/72/23/14/553722314.db2.gz ORTWJDVISHTBGZ-WGOQTCKBSA-N -1 0 548.606 5.226 40 30 KKEBRM [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032114642 553863755 /nfs/dbraw/zinc/86/37/55/553863755.db2.gz UXDWGJWRBONWIX-KVSWJAHQSA-N -1 0 512.190 8.174 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2C[C@H](c3ccccc3)Oc3ccccc32)c(C)c1 ZINC000097980769 553990649 /nfs/dbraw/zinc/99/06/49/553990649.db2.gz ZVBJCLMGFNMNSC-HHPODCHXSA-N -1 0 542.617 6.352 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Br)cc1 ZINC000097980705 553990688 /nfs/dbraw/zinc/99/06/88/553990688.db2.gz JBNICMGFPBFFEK-UCQKPKSFSA-N -1 0 519.377 5.003 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000097980707 553990693 /nfs/dbraw/zinc/99/06/93/553990693.db2.gz BYYVXQVOLQGLTF-RHANQZHGSA-N -1 0 561.645 6.449 40 30 KKEBRM COc1ccc(NC(=O)C(C#N)=NNc2ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)c(Br)c3)c2)cc1Cl ZINC000097982658 554004255 /nfs/dbraw/zinc/00/42/55/554004255.db2.gz XCNCLFXYXHQETK-NDZAJKAJSA-N -1 0 622.885 5.509 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1 ZINC000035401921 554048680 /nfs/dbraw/zinc/04/86/80/554048680.db2.gz HGKIPPFVWKTNJA-UQLAIIKNSA-N -1 0 518.679 6.902 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000035656557 554062045 /nfs/dbraw/zinc/06/20/45/554062045.db2.gz OIFSIFRRSPOPPA-GKKIUYLVSA-N -1 0 502.592 5.905 40 30 KKEBRM O=S(=O)([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100045862 554193517 /nfs/dbraw/zinc/19/35/17/554193517.db2.gz ALVYVCQIFHTIRD-UHFFFAOYSA-N -1 0 528.180 5.274 40 30 KKEBRM C[C@H](Sc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)C(=O)Nc1nccs1 ZINC000100097214 554218675 /nfs/dbraw/zinc/21/86/75/554218675.db2.gz RJVSNVFHVCNXGS-OEXWIMQBSA-N -1 0 598.367 6.853 40 30 KKEBRM Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(I)c([O-])c(I)c3)S2)c1 ZINC000100111144 554221876 /nfs/dbraw/zinc/22/18/76/554221876.db2.gz GLEWLPFMVMLQRK-NVNXTCNLSA-N -1 0 576.197 5.110 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000100236941 554258781 /nfs/dbraw/zinc/25/87/81/554258781.db2.gz UPOBJJFKAMAVAY-LEGKVYBRSA-N -1 0 540.597 6.370 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100252559 554263162 /nfs/dbraw/zinc/26/31/62/554263162.db2.gz JQZZVKCHCABDLK-GJDRURRNSA-N -1 0 577.662 7.290 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000100315402 554302681 /nfs/dbraw/zinc/30/26/81/554302681.db2.gz RHSSJSMCODRSLG-UHFFFAOYSA-N -1 0 626.975 7.452 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000059136387 554382534 /nfs/dbraw/zinc/38/25/34/554382534.db2.gz ZNWZNGRJLPVHAJ-PXLXIMEGSA-N -1 0 516.594 6.122 40 30 KKEBRM C#CCOc1c(CC=C)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198271 554384720 /nfs/dbraw/zinc/38/47/20/554384720.db2.gz QIRZAMSKLPMXGJ-XSFVSMFZSA-N -1 0 509.356 5.095 40 30 KKEBRM Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S1 ZINC000059224299 554386080 /nfs/dbraw/zinc/38/60/80/554386080.db2.gz ICODSVIZESZVGW-RZNTYIFUSA-N -1 0 502.615 5.771 40 30 KKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059248582 554386861 /nfs/dbraw/zinc/38/68/61/554386861.db2.gz WTGIFMTXANBSHP-VTNSRFBWSA-N -1 0 525.674 7.352 40 30 KKEBRM O=C([O-])c1cc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)ccc1Cl ZINC000100441890 554393691 /nfs/dbraw/zinc/39/36/91/554393691.db2.gz KYDUSAMFMVPUES-HNSNBQBZSA-N -1 0 511.408 8.567 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000100457610 554397022 /nfs/dbraw/zinc/39/70/22/554397022.db2.gz LGXPRQXYBZORAD-LUOAPIJWSA-N -1 0 532.525 6.410 40 30 KKEBRM Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc([O-])c([N+](=O)[O-])c4)cc3s2)cc1Cl ZINC000059483460 554397413 /nfs/dbraw/zinc/39/74/13/554397413.db2.gz YNPHSKVOCPTFBN-OPEKNORGSA-N -1 0 513.000 6.353 40 30 KKEBRM CN(Cc1ccccc1)C(=Nc1ccccc1)SCC(=O)c1cc(Br)cc(Br)c1[O-] ZINC000100470101 554398794 /nfs/dbraw/zinc/39/87/94/554398794.db2.gz SPKMGHMZKMOHGK-UHFFFAOYSA-O -1 0 549.308 5.514 40 30 KKEBRM Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1cc(I)cc(I)c1[O-] ZINC000100511259 554408700 /nfs/dbraw/zinc/40/87/00/554408700.db2.gz YLKMSQDOICYGQH-BHGWPJFGSA-N -1 0 580.163 6.469 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2F)C1=C([O-])c1ccc(Br)cc1 ZINC000100561517 554418048 /nfs/dbraw/zinc/41/80/48/554418048.db2.gz NRYXBFDFSICZOI-HXUWFJFHSA-N -1 0 520.276 6.390 40 30 KKEBRM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000100561514 554418126 /nfs/dbraw/zinc/41/81/26/554418126.db2.gz GDFLKWSTGKOTHT-FQEVSTJZSA-N -1 0 547.283 6.159 40 30 KKEBRM O=C([O-])c1ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000059663724 554421782 /nfs/dbraw/zinc/42/17/82/554421782.db2.gz SXHOQRUJCYWAHB-UHFFFAOYSA-N -1 0 584.222 7.163 40 30 KKEBRM CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)[O-] ZINC000064857588 554518020 /nfs/dbraw/zinc/51/80/20/554518020.db2.gz CDZVJFRXJAUXPP-SANMLTNESA-O -1 0 610.746 6.017 40 30 in-vitro KKEBRM CCOc1ccc(C2=C(/C=N/c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000100924707 554523412 /nfs/dbraw/zinc/52/34/12/554523412.db2.gz BTTCJXGJPZOKLT-CISWKHARSA-N -1 0 614.767 8.841 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000100927308 554524779 /nfs/dbraw/zinc/52/47/79/554524779.db2.gz YLHIGOPUQSFHOA-FOKLQQMPSA-N -1 0 582.204 6.629 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000100927962 554524911 /nfs/dbraw/zinc/52/49/11/554524911.db2.gz YPKWQRIGASZNSJ-GXMXPRDMSA-N -1 0 526.973 5.999 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938514 554531668 /nfs/dbraw/zinc/53/16/68/554531668.db2.gz LAZWFCQUXWUIHV-SILRWXEESA-N -1 0 513.402 6.504 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000100939408 554531905 /nfs/dbraw/zinc/53/19/05/554531905.db2.gz BDEDYRSHGBCTNW-HMGGVMEDSA-N -1 0 539.613 5.806 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000100939977 554532185 /nfs/dbraw/zinc/53/21/85/554532185.db2.gz AJOVQNYCZCIIFR-CCWWSCKISA-N -1 0 581.488 6.667 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100941203 554532527 /nfs/dbraw/zinc/53/25/27/554532527.db2.gz CGXGFWQBHSCEGM-SILRWXEESA-N -1 0 557.853 6.614 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1[O-] ZINC000100953501 554538102 /nfs/dbraw/zinc/53/81/02/554538102.db2.gz TUIHRFGNSLMJGD-XAZZYMPDSA-N -1 0 536.346 7.896 40 30 KKEBRM [O-]c1cc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)ccc1-c1nc2ccccc2s1 ZINC000100958256 554541200 /nfs/dbraw/zinc/54/12/00/554541200.db2.gz RYGCUGATZJMYRE-FJEPWZHXSA-N -1 0 549.877 8.132 40 30 KKEBRM CO/N=C(/C(=O)[O-])c1csc(NC(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)c1 ZINC000100963646 554542978 /nfs/dbraw/zinc/54/29/78/554542978.db2.gz GEGYYFPNYJRFLJ-SZXQPVLSSA-N -1 0 540.673 5.638 40 30 KKEBRM COc1cccc(/C=C2\S/C(=N\c3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)c1OCC(=O)[O-] ZINC000101013336 554558691 /nfs/dbraw/zinc/55/86/91/554558691.db2.gz XQPBBSATUVXBDZ-LAFZTMSTSA-N -1 0 516.619 6.201 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1 ZINC000101014800 554559081 /nfs/dbraw/zinc/55/90/81/554559081.db2.gz MMSRCMWDJDKDSW-WNAAXNPUSA-N -1 0 533.800 8.223 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC ZINC000101015109 554559500 /nfs/dbraw/zinc/55/95/00/554559500.db2.gz SALOAJNCBKRQGV-HIQXPHMNSA-N -1 0 529.680 6.633 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1OCC ZINC000101015262 554559727 /nfs/dbraw/zinc/55/97/27/554559727.db2.gz CDWMJEPHVPCEIY-ALRXWZTPSA-N -1 0 541.735 7.240 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)cc1OCC ZINC000101015220 554559758 /nfs/dbraw/zinc/55/97/58/554559758.db2.gz DIZLDFCKWGEAMY-YIOZOHNNSA-N -1 0 521.745 6.914 40 30 KKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2cc(C(F)(F)F)ccc2Oc2cccc3cccnc32)c1 ZINC000101056418 554569513 /nfs/dbraw/zinc/56/95/13/554569513.db2.gz ZCVSGORKKJEICH-XKJRVUDJSA-N -1 0 532.272 7.173 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000101511470 554792874 /nfs/dbraw/zinc/79/28/74/554792874.db2.gz OATGOSSUJAIXQQ-SYCUJBBPSA-N -1 0 567.461 6.034 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N\c1ccc2c3c(cccc31)CC2 ZINC000101539419 554795771 /nfs/dbraw/zinc/79/57/71/554795771.db2.gz AIZAAIINASTHHW-YVNNLAQVSA-N -1 0 525.127 5.604 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000102454090 554933569 /nfs/dbraw/zinc/93/35/69/554933569.db2.gz ZTJSFCKCBAZFRG-AREMUKBSSA-N -1 0 618.111 7.568 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2cccc(Br)c2)cc1 ZINC000102983357 555189269 /nfs/dbraw/zinc/18/92/69/555189269.db2.gz CYVYRMWNCCOBBJ-OEAKJJBVSA-N -1 0 519.377 5.003 40 30 KKEBRM CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)[N-]c3ccccc3OC)c2C)cc1 ZINC000102984065 555189894 /nfs/dbraw/zinc/18/98/94/555189894.db2.gz GAEPDVQSYKDHBY-UXHLAJHPSA-N -1 0 591.646 5.434 40 30 KKEBRM CC(C)CCN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c2ccccc21 ZINC000102984237 555190185 /nfs/dbraw/zinc/19/01/85/555190185.db2.gz ZNRBSVIIEKGTBK-COOPMVRXSA-N -1 0 542.017 5.258 40 30 KKEBRM [O-]c1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1Br ZINC000103428695 555411716 /nfs/dbraw/zinc/41/17/16/555411716.db2.gz MZYLNJPTBWJDKN-ROTLSHHCSA-N -1 0 571.233 5.741 40 30 KKEBRM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3nc(Sc4nc(N5CCCCC5)nc(N5CCCCC5)n4)sc3c2)c1 ZINC000103762433 555471894 /nfs/dbraw/zinc/47/18/94/555471894.db2.gz CFMNNIUMCWOAHE-OGLMXYFKSA-N -1 0 576.708 5.978 40 30 KKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103793533 555481537 /nfs/dbraw/zinc/48/15/37/555481537.db2.gz IOGKDUCZQVOJEX-KPGMTVGESA-N -1 0 546.092 7.697 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000103850525 571364696 /nfs/dbraw/zinc/36/46/96/571364696.db2.gz OHYQWOAYRYBLST-SRZZPIQSSA-N -1 0 564.367 5.104 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000103850633 571364700 /nfs/dbraw/zinc/36/47/00/571364700.db2.gz NENUOPXVGNTXMS-LPYMAVHISA-N -1 0 553.359 5.701 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000103851328 571364994 /nfs/dbraw/zinc/36/49/94/571364994.db2.gz OZPCGJRLCWNLGH-PXLXIMEGSA-N -1 0 551.039 6.017 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103852884 571365627 /nfs/dbraw/zinc/36/56/27/571365627.db2.gz ZXIQGIUJXWEDOP-XSFVSMFZSA-N -1 0 551.437 5.727 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103853069 571365734 /nfs/dbraw/zinc/36/57/34/571365734.db2.gz SWKMAOLEDLGVBF-DEDYPNTBSA-N -1 0 585.484 6.670 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000103853103 571365764 /nfs/dbraw/zinc/36/57/64/571365764.db2.gz ASPLOLITOXPVPB-XQNSMLJCSA-N -1 0 530.621 5.672 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103859487 571367066 /nfs/dbraw/zinc/36/70/66/571367066.db2.gz SRJDBKIAPXWNKP-OEAKJJBVSA-N -1 0 592.402 5.340 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000103859467 571367073 /nfs/dbraw/zinc/36/70/73/571367073.db2.gz WXYGRFQOHBQOIP-OEAKJJBVSA-N -1 0 565.395 5.571 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000103859462 571367151 /nfs/dbraw/zinc/36/71/51/571367151.db2.gz XSDGUJZINZSREE-HYARGMPZSA-N -1 0 565.395 5.571 40 30 KKEBRM C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4C(=O)C=C5[C@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@H]1O ZINC000104036811 571371545 /nfs/dbraw/zinc/37/15/45/571371545.db2.gz FMRFCBBDHDGKKZ-WDAYGNCVSA-N -1 0 600.837 6.294 40 30 KKEBRM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1/N=C\c1cc(Br)ccc1O)c1ccccc1 ZINC000104116004 571374216 /nfs/dbraw/zinc/37/42/16/571374216.db2.gz WJWRDPOVSCLORR-KSEXSDGBSA-N -1 0 500.201 6.013 40 30 KKEBRM N#Cc1c(/N=C/c2cc(I)cc(I)c2[O-])sc2c1CCCC2 ZINC000105502171 571406773 /nfs/dbraw/zinc/40/67/73/571406773.db2.gz RDSIKEWCJXELLT-DNTJNYDQSA-N -1 0 534.160 5.164 40 30 KKEBRM [O-]c1cc(Br)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c(Br)c1 ZINC000106000456 571410043 /nfs/dbraw/zinc/41/00/43/571410043.db2.gz VKUZDMLGZRPCBX-KIBLKLHPSA-N -1 0 574.494 7.380 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000110208796 571430819 /nfs/dbraw/zinc/43/08/19/571430819.db2.gz WGQWHRCFOICAMJ-UUNHGKJBSA-N -1 0 598.503 5.701 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000110721083 571431719 /nfs/dbraw/zinc/43/17/19/571431719.db2.gz CZPXYLKISCJOCJ-FHNQJCGUSA-N -1 0 601.906 7.012 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000110725511 571431755 /nfs/dbraw/zinc/43/17/55/571431755.db2.gz HKBSWABXGVRHOZ-GFDYYOTESA-N -1 0 615.933 7.402 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110717410 571431769 /nfs/dbraw/zinc/43/17/69/571431769.db2.gz KSCZPEFHOJQUAY-LKDLRLLFSA-N -1 0 523.408 5.960 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000110722236 571431806 /nfs/dbraw/zinc/43/18/06/571431806.db2.gz PFWAJJSXGVAOGC-JLDHHGAISA-N -1 0 606.325 7.657 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921707 571446348 /nfs/dbraw/zinc/44/63/48/571446348.db2.gz DUFLDRKJKWPJLH-BXAAGVNGSA-N -1 0 570.771 5.692 40 30 KKEBRM O=C(C=C([O-])[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000150347085 571460799 /nfs/dbraw/zinc/46/07/99/571460799.db2.gz UNLIPKHWLXWFAN-SYDPRGILSA-N -1 0 640.111 6.585 40 30 KKEBRM CC(C)CC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000150370331 571465706 /nfs/dbraw/zinc/46/57/06/571465706.db2.gz BPRCBBYVKLKAKM-UHFFFAOYSA-N -1 0 649.691 7.698 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000150371155 571465800 /nfs/dbraw/zinc/46/58/00/571465800.db2.gz LVLWKMFWAGSHAW-RIYZIHGNSA-N -1 0 695.114 5.054 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150380906 571466897 /nfs/dbraw/zinc/46/68/97/571466897.db2.gz MWXHIYATSYPURP-DIENZIEHSA-N -1 0 636.749 7.376 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000150382602 571467349 /nfs/dbraw/zinc/46/73/49/571467349.db2.gz QEPUTXLZZAYYMJ-CCWWSCKISA-N -1 0 628.488 6.509 40 30 KKEBRM [O-]c1c(Br)cc(/C=N/c2ccc3nc(Sc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)sc3c2)cc1Br ZINC000150383251 571467713 /nfs/dbraw/zinc/46/77/13/571467713.db2.gz UYLLNCISUZNUPM-KPGMTVGESA-N -1 0 705.461 9.101 40 30 KKEBRM Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c([O-])c(I)c4)cc3s2)cc1Cl ZINC000150384275 571468229 /nfs/dbraw/zinc/46/82/29/571468229.db2.gz VYYNGKVCLPAKJN-YPXUMCKCSA-N -1 0 719.795 7.654 40 30 KKEBRM CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)N/N=c2/sc3ccccc3n2C)cc1C(=O)[O-] ZINC000150389021 571471348 /nfs/dbraw/zinc/47/13/48/571471348.db2.gz DSVFBCQRKCGQME-QNEJGDQOSA-N -1 0 651.917 6.987 40 30 KKEBRM CC[C@H]1SC(=S)N(CC(=O)O/N=C2\CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]34C)C2(C)C)C1=O ZINC000150447420 571501311 /nfs/dbraw/zinc/50/13/11/571501311.db2.gz HYAXZRPTPGFOLV-AJSIYLIASA-N -1 0 670.982 8.411 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000150477745 571511298 /nfs/dbraw/zinc/51/12/98/571511298.db2.gz XCNGRGZIZAQWRX-OEAKJJBVSA-N -1 0 626.301 6.194 40 30 KKEBRM CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000150560232 571521226 /nfs/dbraw/zinc/52/12/26/571521226.db2.gz MBZDNWOFYBFREC-QLITUVHASA-N -1 0 893.184 14.115 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3)nc2c1 ZINC000150591751 571522176 /nfs/dbraw/zinc/52/21/76/571522176.db2.gz WSASMVGBMSVYIS-HWDKICEFSA-N -1 0 622.244 7.674 40 30 KKEBRM CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N/N=c2/cc(-c3ccccc3)n(C)c3ccc(S(=O)(=O)[O-])cc32)c1 ZINC000150609622 571522833 /nfs/dbraw/zinc/52/28/33/571522833.db2.gz DLQOEMZLJGUEHI-CUXNAULPSA-N -1 0 787.083 7.988 40 30 KKEBRM COc1cc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)cc(Br)c1O ZINC000150614346 571523237 /nfs/dbraw/zinc/52/32/37/571523237.db2.gz DAEQZLXQBREFGT-RAWMCFOBSA-N -1 0 627.725 5.099 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000164316936 571545616 /nfs/dbraw/zinc/54/56/16/571545616.db2.gz MDXPELGKIBLDRY-KCSSXMTESA-N -1 0 698.601 7.733 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1I ZINC000164395011 571547053 /nfs/dbraw/zinc/54/70/53/571547053.db2.gz OJHLGEWLPCHHMX-RQZCQDPDSA-N -1 0 662.278 5.475 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000164468755 571548578 /nfs/dbraw/zinc/54/85/78/571548578.db2.gz SFMZAIFDJQELAM-SRZZPIQSSA-N -1 0 672.273 5.569 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000164470721 571548669 /nfs/dbraw/zinc/54/86/69/571548669.db2.gz TYEINMAOJHBJOM-SRZZPIQSSA-N -1 0 625.273 5.727 40 30 KKEBRM CN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)C1=CC=CC=CC1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C ZINC000205490537 571569566 /nfs/dbraw/zinc/56/95/66/571569566.db2.gz QDXSFIRROAQGSO-UHFFFAOYSA-O -1 0 740.877 5.148 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])[C@H](C)CC)C2=O)cc1OCC ZINC000226539283 572138604 /nfs/dbraw/zinc/13/86/04/572138604.db2.gz NGLYQGARJIWYFC-AWBCYYSZSA-N -1 0 521.745 6.914 40 30 KKEBRM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408529433 572168274 /nfs/dbraw/zinc/16/82/74/572168274.db2.gz HGOBRBJPIWTXAP-PMCGIYOFSA-N -1 0 510.229 7.814 40 30 KKEBRM O=C([O-])c1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408529532 572168306 /nfs/dbraw/zinc/16/83/06/572168306.db2.gz HQGLBHBIEKVDMI-UKRZBMNNSA-N -1 0 575.473 8.079 40 30 KKEBRM O=C([O-])COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000408530592 572172396 /nfs/dbraw/zinc/17/23/96/572172396.db2.gz MPQOTGBHKDGHPH-ZEEHGSAPSA-N -1 0 533.820 6.919 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\S/C(=N\c4ccc(Cl)cc4)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408532380 572179398 /nfs/dbraw/zinc/17/93/98/572179398.db2.gz UUADNQMLCUUMAJ-RUXCVSGFSA-N -1 0 644.363 9.386 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)S2)cc1 ZINC000408532885 572181612 /nfs/dbraw/zinc/18/16/12/572181612.db2.gz PPJOYLVWLWGSDC-MTJSOVHGSA-N -1 0 513.402 6.471 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408537162 572193794 /nfs/dbraw/zinc/19/37/94/572193794.db2.gz CIHLJGULHAIROX-NKFKGCMQSA-N -1 0 522.598 5.278 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408537961 572196573 /nfs/dbraw/zinc/19/65/73/572196573.db2.gz IPHBRZYJYREWFE-PGMHBOJBSA-N -1 0 533.850 6.508 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408538460 572198201 /nfs/dbraw/zinc/19/82/01/572198201.db2.gz NENBPLNFMKNHAB-RRAHZORUSA-N -1 0 605.131 7.723 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408538753 572199634 /nfs/dbraw/zinc/19/96/34/572199634.db2.gz QEWNWNLQIDLFIR-RCCKNPSSSA-N -1 0 503.426 6.708 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408539216 572201408 /nfs/dbraw/zinc/20/14/08/572201408.db2.gz FXCRVXSXMVHKAA-KGENOOAVSA-N -1 0 547.479 7.106 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408539458 572202052 /nfs/dbraw/zinc/20/20/52/572202052.db2.gz WJJWQYAAESEAPO-ZHZULCJRSA-N -1 0 563.876 6.517 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408539612 572202955 /nfs/dbraw/zinc/20/29/55/572202955.db2.gz IQSAQNHAFJMRMV-RGEXLXHISA-N -1 0 577.903 6.825 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1Cl ZINC000408539968 572204090 /nfs/dbraw/zinc/20/40/90/572204090.db2.gz LBNWJRVEZPPIQA-CJLVFECKSA-N -1 0 591.532 7.587 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408539996 572204179 /nfs/dbraw/zinc/20/41/79/572204179.db2.gz LNQIVGHCAAWNJT-LKUDQCMESA-N -1 0 566.695 6.679 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408539943 572204204 /nfs/dbraw/zinc/20/42/04/572204204.db2.gz KUHKCORNPKDVIZ-PGMHBOJBSA-N -1 0 515.075 6.309 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408539964 572204210 /nfs/dbraw/zinc/20/42/10/572204210.db2.gz KZERTDCQGFWIMQ-HKOYGPOVSA-N -1 0 601.140 7.332 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408540150 572204643 /nfs/dbraw/zinc/20/46/43/572204643.db2.gz NTKJTSSMQFIKAQ-LYBHJNIJSA-N -1 0 557.087 6.933 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408540903 572206916 /nfs/dbraw/zinc/20/69/16/572206916.db2.gz WVLMHYGLGIGMBA-PGMHBOJBSA-N -1 0 543.458 6.254 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)SC1=Nc1ccc(OC)cc1 ZINC000408541227 572207971 /nfs/dbraw/zinc/20/79/71/572207971.db2.gz CDRMBXUXHPCOGS-FSGBDAEFSA-N -1 0 531.590 5.240 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccccc2OCc2ccc(C#N)cc2)C(=O)[O-])n[nH]1 ZINC000408631238 572287127 /nfs/dbraw/zinc/28/71/27/572287127.db2.gz GRMDTETWLDESSR-FMCGGJTJSA-N -1 0 518.982 5.802 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OC ZINC000408632458 572288798 /nfs/dbraw/zinc/28/87/98/572288798.db2.gz JAOVRUVOCDRVQW-ZDLGFXPLSA-N -1 0 507.351 5.290 40 30 KKEBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)C(=O)[O-])o2)c1 ZINC000408632132 572288474 /nfs/dbraw/zinc/28/84/74/572288474.db2.gz HOGFWXSHOSGCIE-GATIEOLUSA-N -1 0 545.573 5.431 40 30 KKEBRM C#CCOc1c(I)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1OC ZINC000408633024 572289595 /nfs/dbraw/zinc/28/95/95/572289595.db2.gz LCIDIIADAJVCNL-UYRXBGFRSA-N -1 0 595.846 5.461 40 30 KKEBRM COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(I)c1OCc1ccccc1C#N ZINC000408633406 572290081 /nfs/dbraw/zinc/29/00/81/572290081.db2.gz KJNBKHCNVBZUKZ-UUYOSTAYSA-N -1 0 644.878 6.407 40 30 KKEBRM CCn1c(S/C(=C\c2cc(Br)ccc2OCc2ccccc2C#N)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633801 572290636 /nfs/dbraw/zinc/29/06/36/572290636.db2.gz PPLRZLYDJBVMPN-WGARJPEWSA-N -1 0 621.513 6.413 40 30 KKEBRM C#CCOc1ccc2ccccc2c1/C=C(\Sc1nnc(-c2cc(OC)cc(OC)c2)n1CC)C(=O)[O-] ZINC000408634006 572290957 /nfs/dbraw/zinc/29/09/57/572290957.db2.gz QWWUMCZXWCDRSY-UQQQWYQISA-N -1 0 515.591 5.365 40 30 KKEBRM C=CCOc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1Br ZINC000408634542 572291588 /nfs/dbraw/zinc/29/15/88/572291588.db2.gz VYFFLJMAJZYMNR-NHDPSOOVSA-N -1 0 546.443 5.527 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634716 572291809 /nfs/dbraw/zinc/29/18/09/572291809.db2.gz WUQNXBWFKMMHKE-WKIKZPBSSA-N -1 0 572.643 5.659 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1Br ZINC000408634956 572292045 /nfs/dbraw/zinc/29/20/45/572292045.db2.gz VTQDMOUDPCCDSW-UUYOSTAYSA-N -1 0 507.365 6.259 40 30 KKEBRM N#Cc1ccccc1COc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-] ZINC000408634984 572292070 /nfs/dbraw/zinc/29/20/70/572292070.db2.gz WCPKESFGWLVQRV-UUYOSTAYSA-N -1 0 507.365 6.259 40 30 KKEBRM C=CCOc1c(I)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1I ZINC000408635007 572292103 /nfs/dbraw/zinc/29/21/03/572292103.db2.gz WKVPDQYNLUYPBT-YBEGLDIGSA-N -1 0 666.662 6.382 40 30 KKEBRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000254741654 572303294 /nfs/dbraw/zinc/30/32/94/572303294.db2.gz FZFTUTOQKMIXAT-NYGKPVRTSA-N -1 0 735.827 5.429 40 30 KKEBRM CCCCCCCCCCCCCCCCOCCCO[P@](=O)([O-])CO[C@@H](CO)Cn1ccc(N)nc1=O ZINC000043511472 1069679380 /nfs/dbraw/zinc/67/93/80/1069679380.db2.gz WXJFKKQWPMNTIM-RUZDIDTESA-N -1 0 561.701 5.251 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OC ZINC000096193397 1069689209 /nfs/dbraw/zinc/68/92/09/1069689209.db2.gz GDBAWUFFIVIEGR-NVNXTCNLSA-N -1 0 505.752 5.180 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)cc2I)cc1 ZINC000408775324 1069739081 /nfs/dbraw/zinc/73/90/81/1069739081.db2.gz PILVSMKNYFGGEH-MTJSOVHGSA-N -1 0 590.826 6.113 40 30 KKEBRM COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000408938935 1069759628 /nfs/dbraw/zinc/75/96/28/1069759628.db2.gz SRUYVWNMUWEZFL-HZPABMAHSA-N -1 0 518.591 5.223 40 30 KKEBRM COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409209245 1069799855 /nfs/dbraw/zinc/79/98/55/1069799855.db2.gz IGRJDTMLPPAHGV-LGJNPRDNSA-N -1 0 515.347 5.944 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2cccc(F)c2)O[C@@H]1c1cc(OC)ccc1OCC(=O)[O-] ZINC000585267896 1069816355 /nfs/dbraw/zinc/81/63/55/1069816355.db2.gz SQQHCSCIZJOIFI-JJUMQRNRSA-N -1 0 510.989 7.130 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(Br)cc(Cl)c2[O-])sc2c1CCCC2 ZINC000408768289 1069873218 /nfs/dbraw/zinc/87/32/18/1069873218.db2.gz DXVHHWZDELOPMV-WKIKZPBSSA-N -1 0 503.849 6.429 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408776222 1069881829 /nfs/dbraw/zinc/88/18/29/1069881829.db2.gz VOAKRVILKRZOMU-HZHRSRAPSA-N -1 0 531.406 5.731 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408774575 1069890287 /nfs/dbraw/zinc/89/02/87/1069890287.db2.gz MKIKYUOLDYHFCN-MTDXEUNCSA-N -1 0 532.596 6.131 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408799386 1069934593 /nfs/dbraw/zinc/93/45/93/1069934593.db2.gz YXYKHJQGQRDXNE-SILRWXEESA-N -1 0 649.304 6.565 40 30 KKEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408825870 1070001563 /nfs/dbraw/zinc/00/15/63/1070001563.db2.gz JVBJGYXZANVSLO-NLRVBDNBSA-N -1 0 538.987 6.303 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408836365 1070026920 /nfs/dbraw/zinc/02/69/20/1070026920.db2.gz QNCQAQRDTRMABZ-LPYMAVHISA-N -1 0 553.398 5.812 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408833584 1070031721 /nfs/dbraw/zinc/03/17/21/1070031721.db2.gz RVTLGHBMZYZZMK-VSXUNDGWSA-N -1 0 751.621 7.409 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3C)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408844272 1070049530 /nfs/dbraw/zinc/04/95/30/1070049530.db2.gz BSSZAGNIFPNLSS-FBHDLOMBSA-N -1 0 544.858 6.408 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408848181 1070056850 /nfs/dbraw/zinc/05/68/50/1070056850.db2.gz QCTGZZDMQQGTJS-UDWIEESQSA-N -1 0 611.503 6.260 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408872435 1070097228 /nfs/dbraw/zinc/09/72/28/1070097228.db2.gz NIVGDZBCHNDPRE-RDMANLHCSA-N -1 0 554.279 6.993 40 30 KKEBRM O=C1/C(=C\c2cc(Br)cc(Br)c2[O-])S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408906141 1070179773 /nfs/dbraw/zinc/17/97/73/1070179773.db2.gz HSUFTPHKDWKEGG-BYVRFLJOSA-N -1 0 544.268 6.721 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408912748 1070191070 /nfs/dbraw/zinc/19/10/70/1070191070.db2.gz RWNIGCUAWGZZKI-BPRICDSQSA-N -1 0 606.482 6.008 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1c(C)cccc1C ZINC000408908917 1070195682 /nfs/dbraw/zinc/19/56/82/1070195682.db2.gz TWLZSZDGYVAOKG-CBYHCJJPSA-N -1 0 510.251 6.158 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1c(C)cccc1C ZINC000408911174 1070203917 /nfs/dbraw/zinc/20/39/17/1070203917.db2.gz ZAGMLMKZMRTISC-QGMASGCISA-N -1 0 519.417 5.162 40 30 KKEBRM C#CCOc1cc(Br)c(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408917522 1070208563 /nfs/dbraw/zinc/20/85/63/1070208563.db2.gz WEIDCWZZXIWFAG-UNAWRRCPSA-N -1 0 577.456 5.972 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408916524 1070220558 /nfs/dbraw/zinc/22/05/58/1070220558.db2.gz DUUXARXCAZUMIV-QUGREGSQSA-N -1 0 690.559 7.690 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000408918511 1070231980 /nfs/dbraw/zinc/23/19/80/1070231980.db2.gz LHYLPOQASSAOAC-GVMIDXADSA-N -1 0 561.638 7.331 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408919125 1070234597 /nfs/dbraw/zinc/23/45/97/1070234597.db2.gz SYQYDFJIYCRQFK-MCZJKKPISA-N -1 0 594.689 7.175 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(I)c([O-])c(I)c2)S/C1=N/c1ccccc1 ZINC000408929979 1070258463 /nfs/dbraw/zinc/25/84/63/1070258463.db2.gz QJLWKKDIFGIWNV-CWFLJIKZSA-N -1 0 620.250 5.242 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929596 1070256803 /nfs/dbraw/zinc/25/68/03/1070256803.db2.gz LITIIOWWFRLJGG-LKCMCXFZSA-N -1 0 515.635 6.567 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931350 1070263181 /nfs/dbraw/zinc/26/31/81/1070263181.db2.gz KKOMQZXFEKRNBV-AVFFQYQTSA-N -1 0 571.880 6.922 40 30 KKEBRM Cc1c(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408936917 1070278267 /nfs/dbraw/zinc/27/82/67/1070278267.db2.gz QECOBXGTIOHALI-ZLEOPLMGSA-N -1 0 530.049 6.892 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931946 1070278368 /nfs/dbraw/zinc/27/83/68/1070278368.db2.gz SJFMBAPMWOSWEV-UPPSBMKDSA-N -1 0 751.555 7.298 40 30 KKEBRM C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1I ZINC000408937387 1070291042 /nfs/dbraw/zinc/29/10/42/1070291042.db2.gz QNPVNBQUHISIEX-ZNFUCCHLSA-N -1 0 624.456 5.814 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)S2)cc1 ZINC000408954623 1070318108 /nfs/dbraw/zinc/31/81/08/1070318108.db2.gz UEGNIYSEJNPQSC-BUVRLJJBSA-N -1 0 644.487 6.257 40 30 KKEBRM CCOc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2C)cc1 ZINC000408967901 1070333028 /nfs/dbraw/zinc/33/30/28/1070333028.db2.gz VPXFFPKFIIHGEW-CJUPBPKFSA-N -1 0 518.591 5.605 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408982419 1070340487 /nfs/dbraw/zinc/34/04/87/1070340487.db2.gz GXGLITQAVWVRQF-HAHDFKILSA-N 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/nfs/dbraw/zinc/45/31/36/1070453136.db2.gz YBXOOAIUPDADIY-UHFFFAOYSA-N -1 0 513.634 6.279 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409050181 1070464681 /nfs/dbraw/zinc/46/46/81/1070464681.db2.gz ZYGZDPUTEKPESE-UHFFFAOYSA-N -1 0 616.969 7.996 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409058363 1070471474 /nfs/dbraw/zinc/47/14/74/1070471474.db2.gz MUYHMHXNUAPCMM-ASCZMWPCSA-N -1 0 513.402 6.504 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064207 1070479665 /nfs/dbraw/zinc/47/96/65/1070479665.db2.gz CDODQRAAMYVBSV-HYARGMPZSA-N -1 0 631.888 5.274 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064061 1070479738 /nfs/dbraw/zinc/47/97/38/1070479738.db2.gz FYJCYERDBZJEAJ-UHFFFAOYSA-N -1 0 552.421 5.436 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409064677 1070480298 /nfs/dbraw/zinc/48/02/98/1070480298.db2.gz FDXDFATXBCEGGF-UHFFFAOYSA-N -1 0 671.028 7.850 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064909 1070481197 /nfs/dbraw/zinc/48/11/97/1070481197.db2.gz IZRCLGVAANPROQ-UHFFFAOYSA-N -1 0 620.507 5.658 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065422 1070481857 /nfs/dbraw/zinc/48/18/57/1070481857.db2.gz LQAMBRYDXYLCRB-UHFFFAOYSA-N -1 0 711.958 5.609 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccccc1 ZINC000409066340 1070482605 /nfs/dbraw/zinc/48/26/05/1070482605.db2.gz ADNRTQQVIQERNK-UHFFFAOYSA-N -1 0 607.725 5.623 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C2=C1CC(C)(C)CC2=O ZINC000409069124 1070486202 /nfs/dbraw/zinc/48/62/02/1070486202.db2.gz VDYQODYVGUVANT-UHFFFAOYSA-N -1 0 527.661 6.669 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C2=C1CC(C)(C)CC2=O ZINC000409068655 1070486247 /nfs/dbraw/zinc/48/62/47/1070486247.db2.gz UQRDOJIXVJLMAG-UHFFFAOYSA-N -1 0 585.741 7.458 40 30 KKEBRM COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409074728 1070487683 /nfs/dbraw/zinc/48/76/83/1070487683.db2.gz VDWSBCXQKJUMEN-ORBVJSQLSA-N -1 0 571.293 5.437 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409076151 1070490025 /nfs/dbraw/zinc/49/00/25/1070490025.db2.gz YROKJJWKKCDYRU-UHFFFAOYSA-N -1 0 595.446 5.824 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000409070704 1070496324 /nfs/dbraw/zinc/49/63/24/1070496324.db2.gz LTZPPXZOQJDPEK-UHFFFAOYSA-N -1 0 674.342 6.587 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409069601 1070494809 /nfs/dbraw/zinc/49/48/09/1070494809.db2.gz LUHVCBUZKQWQNL-UHFFFAOYSA-N -1 0 586.062 5.004 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071006 1070496370 /nfs/dbraw/zinc/49/63/70/1070496370.db2.gz PRTLFTGUUILPOS-UHFFFAOYSA-N -1 0 721.066 7.039 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073398 1070499843 /nfs/dbraw/zinc/49/98/43/1070499843.db2.gz HKBREVGZBJWURB-UHFFFAOYSA-N -1 0 600.405 5.705 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409073587 1070500525 /nfs/dbraw/zinc/50/05/25/1070500525.db2.gz QLISGUSHRZJYDP-UHFFFAOYSA-N -1 0 685.453 8.194 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409074315 1070500940 /nfs/dbraw/zinc/50/09/40/1070500940.db2.gz SZYLCFKDRYUXHW-LPYMAVHISA-N -1 0 551.426 6.284 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1cccc(F)c1 ZINC000409073992 1070500990 /nfs/dbraw/zinc/50/09/90/1070500990.db2.gz OXYUWIVTMOIOEU-UHFFFAOYSA-N -1 0 615.742 7.302 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409080623 1070502667 /nfs/dbraw/zinc/50/26/67/1070502667.db2.gz FKNAXVYHXYZEBK-UHFFFAOYSA-N -1 0 602.383 6.100 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000409082664 1070507103 /nfs/dbraw/zinc/50/71/03/1070507103.db2.gz SFZNVNJQJOSWSR-BDBFOOTBSA-N -1 0 585.479 7.535 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)NCc1ccco1)CC[C@@H](C(C)(C)C)C2 ZINC000409084393 1070510004 /nfs/dbraw/zinc/51/00/04/1070510004.db2.gz XWGVLLLMXTYBEM-UQCIJCDUSA-N -1 0 516.667 6.163 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c(I)c3)c2C(=O)NCc2ccco2)C1 ZINC000409079246 1070515077 /nfs/dbraw/zinc/51/50/77/1070515077.db2.gz KSFUPDPFDOCXGB-DBUPPGCOSA-N -1 0 641.369 7.245 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409079361 1070515213 /nfs/dbraw/zinc/51/52/13/1070515213.db2.gz FNYUANVZGWMPID-BMCAMTEYSA-N -1 0 627.185 8.649 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409126896 1070554355 /nfs/dbraw/zinc/55/43/55/1070554355.db2.gz OPGWQTALTOKUIA-WGOQTCKBSA-N -1 0 605.087 6.116 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409193719 1070612139 /nfs/dbraw/zinc/61/21/39/1070612139.db2.gz LPJAFVWZBKRMSU-TURZUDJPSA-N -1 0 598.696 6.242 40 30 KKEBRM COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000409233117 1070658229 /nfs/dbraw/zinc/65/82/29/1070658229.db2.gz QMMYAVPVIVCUQV-SBZDMIGCSA-N -1 0 529.618 5.034 40 30 KKEBRM C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409253228 1070685308 /nfs/dbraw/zinc/68/53/08/1070685308.db2.gz ZEGXSTMRIRYXPO-OEAKJJBVSA-N -1 0 525.552 5.509 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409276591 1070721895 /nfs/dbraw/zinc/72/18/95/1070721895.db2.gz TVZFSMWSZKFVBJ-UHFFFAOYSA-N -1 0 502.530 5.798 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409286172 1070723478 /nfs/dbraw/zinc/72/34/78/1070723478.db2.gz VXQKWNREUNLEQG-UHFFFAOYSA-N -1 0 615.278 5.652 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)o1 ZINC000409278704 1070725581 /nfs/dbraw/zinc/72/55/81/1070725581.db2.gz FMKHRKNDCVKTNM-UHFFFAOYSA-N -1 0 517.463 6.231 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409279528 1070727394 /nfs/dbraw/zinc/72/73/94/1070727394.db2.gz HHSPHPBWIRHSCC-UHFFFAOYSA-N -1 0 620.662 6.962 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409279977 1070728670 /nfs/dbraw/zinc/72/86/70/1070728670.db2.gz IDXULURYEPOLPA-CYBMUJFWSA-N -1 0 601.240 6.613 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(=O)[O-])c(Br)c3Br)cc21 ZINC000409280018 1070728702 /nfs/dbraw/zinc/72/87/02/1070728702.db2.gz JHGJGOCKMLLFDO-UHFFFAOYSA-N -1 0 657.271 5.698 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409284709 1070740579 /nfs/dbraw/zinc/74/05/79/1070740579.db2.gz VJWZOHRWDMGRTJ-UHFFFAOYSA-N -1 0 595.406 5.359 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409284879 1070740756 /nfs/dbraw/zinc/74/07/56/1070740756.db2.gz VNTPWQAWSGDXHQ-UHFFFAOYSA-N -1 0 624.049 7.030 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409285034 1070741051 /nfs/dbraw/zinc/74/10/51/1070741051.db2.gz MPQOBWYEHABDDG-NSHDSACASA-N -1 0 660.157 5.724 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409287602 1070755670 /nfs/dbraw/zinc/75/56/70/1070755670.db2.gz XCHAZBOHNRHMHA-ZDUSSCGKSA-N -1 0 605.323 5.487 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409287822 1070756088 /nfs/dbraw/zinc/75/60/88/1070756088.db2.gz ZQGZDQNAEGBKSZ-UHFFFAOYSA-N -1 0 554.828 6.095 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCC(=O)[O-] ZINC000409289491 1070760133 /nfs/dbraw/zinc/76/01/33/1070760133.db2.gz GREYLHKIHKSOPO-UHFFFAOYSA-N -1 0 574.590 5.156 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409295919 1070765751 /nfs/dbraw/zinc/76/57/51/1070765751.db2.gz PNAHBHNUHTXHCX-UHFFFAOYSA-N -1 0 543.421 5.613 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409297050 1070768196 /nfs/dbraw/zinc/76/81/96/1070768196.db2.gz VRLIBTDRCNXOPS-SFHVURJKSA-N -1 0 593.036 6.190 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2OCC(=O)[O-])cc1C(C)C ZINC000409299145 1070772645 /nfs/dbraw/zinc/77/26/45/1070772645.db2.gz QZZMQRGKFUAJAQ-UHFFFAOYSA-N -1 0 564.038 5.902 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)n(Cc3ccc(C(=O)[O-])cc3)c3ccccc23)cc1C(C)C ZINC000409300576 1070776261 /nfs/dbraw/zinc/77/62/61/1070776261.db2.gz ZWWHYIAFOBAZNS-UHFFFAOYSA-N -1 0 612.730 7.786 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299695 1070774276 /nfs/dbraw/zinc/77/42/76/1070774276.db2.gz RQZPTFRNSZLDRR-UHFFFAOYSA-N -1 0 637.474 6.217 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC000409300633 1070776857 /nfs/dbraw/zinc/77/68/57/1070776857.db2.gz XRMQESPQQNRDFB-LLVKDONJSA-N -1 0 710.104 5.226 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409301100 1070777280 /nfs/dbraw/zinc/77/72/80/1070777280.db2.gz ZNAJHKIWUYDBJP-UHFFFAOYSA-N -1 0 640.136 7.715 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409302396 1070781015 /nfs/dbraw/zinc/78/10/15/1070781015.db2.gz FTYUZRXJSAYQMJ-UHFFFAOYSA-N -1 0 640.136 7.715 40 30 KKEBRM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccccc1 ZINC000408880203 1070788851 /nfs/dbraw/zinc/78/88/51/1070788851.db2.gz FAGOZNHASBQWJK-SFOQEEFQSA-N -1 0 550.316 7.100 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)o1 ZINC000409310796 1070791946 /nfs/dbraw/zinc/79/19/46/1070791946.db2.gz BXJAEJXXILVIHF-UHFFFAOYSA-N -1 0 534.410 6.356 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409305660 1070800338 /nfs/dbraw/zinc/80/03/38/1070800338.db2.gz NICDDXCEWOJRFU-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409306337 1070802350 /nfs/dbraw/zinc/80/23/50/1070802350.db2.gz PXJVLJDCABORPE-UHFFFAOYSA-N -1 0 577.479 5.682 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409321410 1070809319 /nfs/dbraw/zinc/80/93/19/1070809319.db2.gz HLKAFTBJAFJSEF-UHFFFAOYSA-N -1 0 660.306 6.266 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409321930 1070810163 /nfs/dbraw/zinc/81/01/63/1070810163.db2.gz HXZHOWKFBHJSJM-AWEZNQCLSA-N -1 0 655.771 6.755 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409325142 1070841955 /nfs/dbraw/zinc/84/19/55/1070841955.db2.gz XLAAEQSUBZAWPX-KRWDZBQOSA-N -1 0 657.359 6.993 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409326309 1070844768 /nfs/dbraw/zinc/84/47/68/1070844768.db2.gz JSAIBYBTNIHXSV-QGZVFWFLSA-N -1 0 568.468 5.678 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(Br)cc1OCc1ccccc1C#N ZINC000409335627 1070855698 /nfs/dbraw/zinc/85/56/98/1070855698.db2.gz KUVUWDATJLGJER-CWWMFLHGSA-N -1 0 526.437 5.783 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409337060 1070858470 /nfs/dbraw/zinc/85/84/70/1070858470.db2.gz WHXVQLGROZVDJJ-CQSZACIVSA-N -1 0 577.273 5.703 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OCC)c2)S/C1=N\c1ccccc1 ZINC000408906129 1070897095 /nfs/dbraw/zinc/89/70/95/1070897095.db2.gz HLRKQYFPKMPSAA-MKMXVRELSA-N -1 0 566.417 5.167 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408905968 1070897634 /nfs/dbraw/zinc/89/76/34/1070897634.db2.gz GSLWKIXXVRAMQT-SAVQBQSISA-N -1 0 581.488 6.676 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409402833 1070918937 /nfs/dbraw/zinc/91/89/37/1070918937.db2.gz JPTFOJBCSKLHMQ-UHFFFAOYSA-N -1 0 584.426 5.994 40 30 KKEBRM C[C@@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I)C(=O)[O-] ZINC000409404647 1070923637 /nfs/dbraw/zinc/92/36/37/1070923637.db2.gz QLCMLULXMMTFMZ-CQSZACIVSA-N -1 0 665.225 5.007 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408909207 1070979371 /nfs/dbraw/zinc/97/93/71/1070979371.db2.gz FRCMZGAIQMJQOR-ZVHZXABRSA-N -1 0 579.422 5.961 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408909088 1070980763 /nfs/dbraw/zinc/98/07/63/1070980763.db2.gz BZHXRSFJIPYJOM-DPWLTPCDSA-N -1 0 642.515 6.308 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408908245 1070985124 /nfs/dbraw/zinc/98/51/24/1070985124.db2.gz QRFOLVVDHYSCCM-KPBLUWHNSA-N -1 0 567.461 6.115 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](c2ccc(F)cc2)O[C@@H]1c1cc(Cl)cc(OC)c1OCC(=O)[O-] ZINC000585266428 1070991061 /nfs/dbraw/zinc/99/10/61/1070991061.db2.gz BIRAGRBTIQOMRC-IJEQNIMCSA-N -1 0 510.989 7.130 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408917109 1070994843 /nfs/dbraw/zinc/99/48/43/1070994843.db2.gz MUNXEZSETHUPAR-ZKMJAMJUSA-N -1 0 633.520 7.522 40 30 KKEBRM C=C(C)[C@H]1C[C@@H](c2ccccc2F)[C@H](C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585265438 1070996272 /nfs/dbraw/zinc/99/62/72/1070996272.db2.gz DIYUGIHDHAQPQG-PIVZXJMWSA-N -1 0 523.044 7.901 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408916244 1071003310 /nfs/dbraw/zinc/00/33/10/1071003310.db2.gz AANFSPJBHJCSOX-QALOTRAISA-N -1 0 649.168 8.973 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408915508 1071008024 /nfs/dbraw/zinc/00/80/24/1071008024.db2.gz WOQJXJBTANBCKI-ZVHZXABRSA-N -1 0 545.523 5.107 40 30 KKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408914455 1071013173 /nfs/dbraw/zinc/01/31/73/1071013173.db2.gz PWZIABUYAIFBOD-MUFRIFMGSA-N -1 0 503.396 6.884 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000408914258 1071013746 /nfs/dbraw/zinc/01/37/46/1071013746.db2.gz UEZBIRXNYKRBNZ-BGGVIUSWSA-N -1 0 524.278 6.486 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N1C ZINC000408913437 1071018750 /nfs/dbraw/zinc/01/87/50/1071018750.db2.gz UNISSCOICXMVSZ-HDKKRFQTSA-N -1 0 590.224 5.398 40 30 KKEBRM CCCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914017 1071015062 /nfs/dbraw/zinc/01/50/62/1071015062.db2.gz SBLBWWRTVMAXHL-GQKMNLJRSA-N -1 0 580.444 5.476 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1 ZINC000408919243 1071122144 /nfs/dbraw/zinc/12/21/44/1071122144.db2.gz VFKMDNDFEQPOJA-PDSYLDJCSA-N -1 0 502.592 5.986 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408918443 1071136247 /nfs/dbraw/zinc/13/62/47/1071136247.db2.gz KPFKVOVGDAIYNR-HMBFJWTHSA-N -1 0 575.042 7.023 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408917709 1071145883 /nfs/dbraw/zinc/14/58/83/1071145883.db2.gz AGUNWETUEWQPPQ-FGDGGCPISA-N -1 0 626.326 6.726 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408917614 1071144552 /nfs/dbraw/zinc/14/45/52/1071144552.db2.gz YJMYDGGAVFRKEU-YWHFDTAASA-N -1 0 733.584 7.210 40 30 KKEBRM Cc1ccc(COc2ccc(Br)cc2/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408917367 1071149144 /nfs/dbraw/zinc/14/91/44/1071149144.db2.gz SBELCOYXQDBXCE-DNSOMCPUSA-N -1 0 613.533 7.839 40 30 KKEBRM CC(=O)O[C@H]1CC[C@H](C)[C@@H]2[C@@H]1C=C(C)[C@H]1/C(C)=C/CC/C(C)=C/[C@]3(C)C=C(C)[C@H](C)C[C@]34OC(=O)C(=C4[O-])C(=O)[C@]12C ZINC000575631091 1071149420 /nfs/dbraw/zinc/14/94/20/1071149420.db2.gz UZJGZPDDMTVQTD-WIOHFGRDSA-N -1 0 576.774 7.518 40 30 in-vitro KKEBRM CCOc1cc(Cl)c(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408931590 1071149839 /nfs/dbraw/zinc/14/98/39/1071149839.db2.gz NPTHZTAPCZCZID-PYDPJRFUSA-N -1 0 553.036 6.258 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931465 1071151124 /nfs/dbraw/zinc/15/11/24/1071151124.db2.gz MBNCVZSUMYURJP-QNQJOHRQSA-N -1 0 554.584 5.897 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408930934 1071156323 /nfs/dbraw/zinc/15/63/23/1071156323.db2.gz FBHJFJBNZQJEBJ-STBIYBPSSA-N -1 0 586.426 5.554 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccccc1Cl ZINC000408930723 1071156940 /nfs/dbraw/zinc/15/69/40/1071156940.db2.gz BDGOXLXTNDFPDA-GQHTZDRWSA-N -1 0 523.010 6.168 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408931359 1071152384 /nfs/dbraw/zinc/15/23/84/1071152384.db2.gz KNNUZWHCCJKSLO-GTWPMBLJSA-N -1 0 608.716 7.484 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2I)cc1 ZINC000408931378 1071153123 /nfs/dbraw/zinc/15/31/23/1071153123.db2.gz KVYPFGVIJOIHGZ-RWPZCVJISA-N -1 0 668.269 5.760 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408931214 1071153707 /nfs/dbraw/zinc/15/37/07/1071153707.db2.gz INUXLSOOFHVPJF-STBIYBPSSA-N -1 0 539.426 5.712 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408929257 1071170940 /nfs/dbraw/zinc/17/09/40/1071170940.db2.gz ISQLDFSYYPHGAL-NBBXONKTSA-N -1 0 685.540 5.647 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(C)cc4)c(I)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408934086 1071200457 /nfs/dbraw/zinc/20/04/57/1071200457.db2.gz LEFMZVSTBUMULF-GJDRURRNSA-N -1 0 690.559 7.690 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408934166 1071201101 /nfs/dbraw/zinc/20/11/01/1071201101.db2.gz LLPPWOJNNDUUGE-IIDKFWLGSA-N -1 0 641.540 6.384 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408936771 1071207746 /nfs/dbraw/zinc/20/77/46/1071207746.db2.gz PVWIFZWSCSKTGH-ZEZBVESGSA-N -1 0 582.432 6.177 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408936137 1071214181 /nfs/dbraw/zinc/21/41/81/1071214181.db2.gz OKUGSLFUIRAEJZ-HWFNXEOGSA-N -1 0 660.384 7.430 40 30 KKEBRM C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408932972 1071246911 /nfs/dbraw/zinc/24/69/11/1071246911.db2.gz GEDJJWKRXSOGPR-VFJLWKDKSA-N -1 0 542.613 5.608 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933423 1071241901 /nfs/dbraw/zinc/24/19/01/1071241901.db2.gz JMGOGJFUFOFAPK-NXOLVAEBSA-N -1 0 629.134 7.747 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OCC ZINC000110708840 1071244594 /nfs/dbraw/zinc/24/45/94/1071244594.db2.gz XRMQOLMYKJEUDF-NAHYFOQLSA-N -1 0 543.707 7.023 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932914 1071246231 /nfs/dbraw/zinc/24/62/31/1071246231.db2.gz FRPYKEIFUABZQQ-KELHKHCHSA-N -1 0 647.522 7.678 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932729 1071250061 /nfs/dbraw/zinc/25/00/61/1071250061.db2.gz YWJNMHXJGUBGBL-MHJLENRISA-N -1 0 651.144 7.444 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932326 1071251757 /nfs/dbraw/zinc/25/17/57/1071251757.db2.gz VPTPJCGZMOSTER-AUBQNVRWSA-N -1 0 683.997 8.745 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408943927 1071260485 /nfs/dbraw/zinc/26/04/85/1071260485.db2.gz ZRIJCQDEBYNIRP-QHMIWGDOSA-N -1 0 738.575 7.919 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)C(=O)N2C)cccc1C(=O)[O-] ZINC000408941622 1071307880 /nfs/dbraw/zinc/30/78/80/1071307880.db2.gz WMNNXJLZNVAVEV-JQDPYBPBSA-N -1 0 526.589 6.798 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408941296 1071310105 /nfs/dbraw/zinc/31/01/05/1071310105.db2.gz VLPFFBBMVKKUGK-NFEBKBJESA-N -1 0 634.321 7.170 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408940548 1071315973 /nfs/dbraw/zinc/31/59/73/1071315973.db2.gz UYQGWJCGNIFSGH-DFCXVYAYSA-N -1 0 634.754 7.904 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408939681 1071321904 /nfs/dbraw/zinc/32/19/04/1071321904.db2.gz TYCBTYZLXZDHOU-UIMOKLRASA-N -1 0 605.672 6.657 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408952746 1071344596 /nfs/dbraw/zinc/34/45/96/1071344596.db2.gz MJBDEAVHWWRUHH-OEAKJJBVSA-N -1 0 583.460 6.025 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408951960 1071348188 /nfs/dbraw/zinc/34/81/88/1071348188.db2.gz NBGHBEYOHKMGMT-HNSNBQBZSA-N -1 0 616.758 7.527 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408950453 1071355856 /nfs/dbraw/zinc/35/58/56/1071355856.db2.gz KIEJMHLQMQNMJW-WYMPLXKRSA-N -1 0 589.486 5.604 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408949145 1071361725 /nfs/dbraw/zinc/36/17/25/1071361725.db2.gz SAAGQSAOIFJLNX-VHOCVAHHSA-N -1 0 528.033 7.254 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408948769 1071363982 /nfs/dbraw/zinc/36/39/82/1071363982.db2.gz GNPLPLFSUHYGQG-FOKLQQMPSA-N -1 0 638.356 6.358 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408695333 1071385310 /nfs/dbraw/zinc/38/53/10/1071385310.db2.gz RUMJORXVPVLDMW-LPYMAVHISA-N -1 0 543.447 6.104 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408953984 1071393148 /nfs/dbraw/zinc/39/31/48/1071393148.db2.gz QSYIKUFJAYXVMB-AMVVHIIESA-N -1 0 680.599 7.433 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)S2)cc1 ZINC000408953514 1071395127 /nfs/dbraw/zinc/39/51/27/1071395127.db2.gz QCHGWAHUJRFNKP-PCLIKHOPSA-N -1 0 518.591 5.653 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408966216 1071410917 /nfs/dbraw/zinc/41/09/17/1071410917.db2.gz NUQOSHOAXOSANN-YZSQISJMSA-N -1 0 544.629 5.991 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965541 1071414172 /nfs/dbraw/zinc/41/41/72/1071414172.db2.gz INIBYFBUDPQGAD-LEIWJKCUSA-N -1 0 508.983 5.860 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408964969 1071416407 /nfs/dbraw/zinc/41/64/07/1071416407.db2.gz JFTVEQVONVQZSM-OEAKJJBVSA-N -1 0 630.460 5.867 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000408963574 1071421533 /nfs/dbraw/zinc/42/15/33/1071421533.db2.gz CHSIWJNBAIOBIA-LPYMAVHISA-N -1 0 523.408 5.926 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408963296 1071423005 /nfs/dbraw/zinc/42/30/05/1071423005.db2.gz BIKBRRYANWYDMT-OEAKJJBVSA-N -1 0 539.009 5.916 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408962624 1071426112 /nfs/dbraw/zinc/42/61/12/1071426112.db2.gz INLIUYINMFBDBF-RGVLZGJSSA-N -1 0 655.297 6.775 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408962443 1071426795 /nfs/dbraw/zinc/42/67/95/1071426795.db2.gz SDRAKXXLQUODRY-LPYMAVHISA-N -1 0 616.433 5.477 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408961574 1071429087 /nfs/dbraw/zinc/42/90/87/1071429087.db2.gz NKGJEGBFYCAWGF-OEAKJJBVSA-N -1 0 539.009 5.916 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000408960463 1071432857 /nfs/dbraw/zinc/43/28/57/1071432857.db2.gz LYFQXPQOEHUASO-QBJVHMJFSA-N -1 0 514.603 5.747 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 ZINC000408959958 1071435197 /nfs/dbraw/zinc/43/51/97/1071435197.db2.gz BBZBOPJNCKEETN-CIAFOILYSA-N -1 0 527.371 5.757 40 30 KKEBRM CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408959658 1071435933 /nfs/dbraw/zinc/43/59/33/1071435933.db2.gz CRMVRSSPJBWYPI-BOJSJVFISA-N -1 0 522.630 6.046 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(=O)[O-] ZINC000408971547 1071451792 /nfs/dbraw/zinc/45/17/92/1071451792.db2.gz INNPKVKOKXOLCV-WKULSOCRSA-N -1 0 571.493 6.645 40 30 KKEBRM CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(=O)[O-] ZINC000408969169 1071460123 /nfs/dbraw/zinc/46/01/23/1071460123.db2.gz ILXRDIDLDWIPKV-OKCVXOCRSA-N -1 0 585.520 7.035 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967941 1071465084 /nfs/dbraw/zinc/46/50/84/1071465084.db2.gz VXMASMHWFHDJTA-UCJYOAJXSA-N -1 0 578.690 7.209 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)SC2=Nc2ccccc2)cc1 ZINC000408967441 1071467001 /nfs/dbraw/zinc/46/70/01/1071467001.db2.gz RLBYLRQRNJXQIT-JEXJOAMNSA-N -1 0 580.662 6.785 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408967343 1071467953 /nfs/dbraw/zinc/46/79/53/1071467953.db2.gz VCMFXJVGMJCPNK-LPYMAVHISA-N -1 0 553.434 5.935 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408987244 1071481733 /nfs/dbraw/zinc/48/17/33/1071481733.db2.gz FHYBAYRWZPDLPU-QFEZKATASA-N -1 0 556.018 5.893 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408986055 1071492339 /nfs/dbraw/zinc/49/23/39/1071492339.db2.gz ZFUJBJFREAPQDL-QRVIBDJDSA-N -1 0 529.980 5.418 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)C2=O)cc1 ZINC000408983989 1071513717 /nfs/dbraw/zinc/51/37/17/1071513717.db2.gz PDGUEVUAXNFXHM-UUYOSTAYSA-N -1 0 560.404 5.137 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000408723675 1071527724 /nfs/dbraw/zinc/52/77/24/1071527724.db2.gz ZSJYLVCPGTTYMO-VGOFMYFVSA-N -1 0 556.663 5.261 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408981933 1071531392 /nfs/dbraw/zinc/53/13/92/1071531392.db2.gz FANUBFXZDNAOOE-ULJHMMPZSA-N -1 0 500.982 5.876 40 30 KKEBRM COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])ccc1O ZINC000408721527 1071537999 /nfs/dbraw/zinc/53/79/99/1071537999.db2.gz SEOKISOJOWOTCJ-PGGKNCGUSA-N -1 0 562.174 5.605 40 30 KKEBRM COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1O ZINC000408721550 1071538009 /nfs/dbraw/zinc/53/80/09/1071538009.db2.gz SPTSGXHTCIJQNP-XODNFHPESA-N -1 0 532.350 6.187 40 30 KKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)c1[O-] ZINC000408721327 1071539618 /nfs/dbraw/zinc/53/96/18/1071539618.db2.gz OVJIGTOIMCFDGU-ODCIPOBUSA-N -1 0 506.110 5.484 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1c(-c2ccco2)nc2ccc(Br)cn21 ZINC000408720855 1071541763 /nfs/dbraw/zinc/54/17/63/1071541763.db2.gz FYVCYZPCUBEWGG-GZIVZEMBSA-N -1 0 540.009 6.338 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)c(C)c1 ZINC000408995324 1071553176 /nfs/dbraw/zinc/55/31/76/1071553176.db2.gz MFSSHMFITWFURP-UUYOSTAYSA-N -1 0 710.331 6.681 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408994735 1071556815 /nfs/dbraw/zinc/55/68/15/1071556815.db2.gz ZYNHBQZYADXITK-QRVIBDJDSA-N -1 0 589.442 5.714 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408991971 1071576623 /nfs/dbraw/zinc/57/66/23/1071576623.db2.gz RVKUOWUCDSYJJW-VEILYXNESA-N -1 0 595.493 7.139 40 30 KKEBRM C[C@@H](c1cc(Br)c([O-])c(Br)c1)C1=C(c2c(N)ccc3ccccc32)CC(C)(C)CC1=O ZINC000408731067 1071584024 /nfs/dbraw/zinc/58/40/24/1071584024.db2.gz ISWDPRZTZYULQE-AWEZNQCLSA-N -1 0 543.299 7.599 40 30 KKEBRM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C4/SC(=Nc5ccc(C(=O)[O-])cc5)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408990577 1071587421 /nfs/dbraw/zinc/58/74/21/1071587421.db2.gz LAEMDPRQYSPOOB-DICXZTSXSA-N -1 0 667.750 7.506 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408990528 1071589097 /nfs/dbraw/zinc/58/90/97/1071589097.db2.gz NRVKNEYCBKBPNO-MYYYXRDXSA-N -1 0 545.035 6.329 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408990543 1071589635 /nfs/dbraw/zinc/58/96/35/1071589635.db2.gz NXEFKCCHJYEJHS-ONUIUJJFSA-N -1 0 528.580 5.761 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408990215 1071591165 /nfs/dbraw/zinc/59/11/65/1071591165.db2.gz JXRDTCZWKUJBOU-HHFLROOLSA-N -1 0 720.210 7.279 40 30 KKEBRM O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)S2)cc1 ZINC000408989737 1071594769 /nfs/dbraw/zinc/59/47/69/1071594769.db2.gz IRNRCDXLGLHDAA-UCQKPKSFSA-N -1 0 624.681 6.431 40 30 KKEBRM COc1ccc(OC)c(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)c(C(=O)[O-])c4)NC3=O)cc2)c1 ZINC000408989540 1071597095 /nfs/dbraw/zinc/59/70/95/1071597095.db2.gz LCYGQGGAURDJCW-KSEXSDGBSA-N -1 0 524.982 5.526 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408988833 1071599912 /nfs/dbraw/zinc/59/99/12/1071599912.db2.gz RSOAYFHCUNVTJJ-UCQKPKSFSA-N -1 0 516.981 5.631 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)S2)c1 ZINC000408988610 1071603684 /nfs/dbraw/zinc/60/36/84/1071603684.db2.gz FAGCQFYGSGMUCX-UCQKPKSFSA-N -1 0 624.681 6.431 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408988126 1071607313 /nfs/dbraw/zinc/60/73/13/1071607313.db2.gz GYQRVQVYJWKDPC-CEUNXORHSA-N -1 0 546.623 6.385 40 30 KKEBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(C(=O)[O-])cc3)c2-c2ccccc2)cc1 ZINC000408741176 1071627259 /nfs/dbraw/zinc/62/72/59/1071627259.db2.gz OGIYURSXTQVYQY-PPOKSSTKSA-N -1 0 514.581 7.437 40 30 KKEBRM O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Br)c([O-])c(Br)c1 ZINC000408741877 1071623289 /nfs/dbraw/zinc/62/32/89/1071623289.db2.gz OGOGKEWISFMBOK-MLPAPPSSSA-N -1 0 533.039 5.571 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409005285 1071630756 /nfs/dbraw/zinc/63/07/56/1071630756.db2.gz ULZZAUPHJYAWQK-RKQZOCRXSA-N -1 0 552.233 6.948 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409004866 1071632093 /nfs/dbraw/zinc/63/20/93/1071632093.db2.gz BWLLYHRRZTVDME-YBEGLDIGSA-N -1 0 567.255 5.087 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409004201 1071634222 /nfs/dbraw/zinc/63/42/22/1071634222.db2.gz WWWZCYCRUKAOFR-HMAPJEAMSA-N -1 0 753.352 6.717 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N/Cc4ccccc4)N(Cc4ccccc4)C3=O)o2)cc1Cl ZINC000409001852 1071642989 /nfs/dbraw/zinc/64/29/89/1071642989.db2.gz WZZKMBSHTNIGKZ-LGUMZPBXSA-N -1 0 529.017 6.971 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc(C)c1Br ZINC000408755447 1071644831 /nfs/dbraw/zinc/64/48/31/1071644831.db2.gz UXHWTVVVEPAUBO-NHDPSOOVSA-N -1 0 695.227 7.760 40 30 KKEBRM O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Br)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408754553 1071651087 /nfs/dbraw/zinc/65/10/87/1071651087.db2.gz WHCVZPLUIHFKGH-WLRTZDKTSA-N -1 0 578.036 5.480 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4[O-])o3)S2)cc(C)c1Br ZINC000408753224 1071659175 /nfs/dbraw/zinc/65/91/75/1071659175.db2.gz FMYKDPCCXHRPEI-GRSHGNNSSA-N -1 0 514.357 5.831 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408753188 1071659259 /nfs/dbraw/zinc/65/92/59/1071659259.db2.gz FBCIEFQPQFNNKA-BUVRLJJBSA-N -1 0 575.459 6.048 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408753271 1071659770 /nfs/dbraw/zinc/65/97/70/1071659770.db2.gz GAMBTJOGXMEWRW-CIAFOILYSA-N -1 0 529.401 6.171 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408752287 1071666018 /nfs/dbraw/zinc/66/60/18/1071666018.db2.gz CXCRCKXOTWVCMZ-OVVQPSECSA-N -1 0 581.466 6.885 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc1Br ZINC000408750289 1071676600 /nfs/dbraw/zinc/67/66/00/1071676600.db2.gz ZHVGYHBNIMOJCP-LHHJGKSTSA-N -1 0 591.621 5.128 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)o1 ZINC000409013251 1071680888 /nfs/dbraw/zinc/68/08/88/1071680888.db2.gz TVJYPVOUZAZWJG-LSTCOMAYSA-N -1 0 531.815 6.603 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc1Br ZINC000408749603 1071683263 /nfs/dbraw/zinc/68/32/63/1071683263.db2.gz RCOXMPNVFNVRQK-VGOFMYFVSA-N -1 0 638.075 5.171 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408766395 1071714505 /nfs/dbraw/zinc/71/45/05/1071714505.db2.gz PXJHROPKNBQVFE-LQKURTRISA-N -1 0 609.480 6.282 40 30 KKEBRM N#Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 ZINC000409022066 1071720480 /nfs/dbraw/zinc/72/04/80/1071720480.db2.gz DJEYLHLUPUXFIW-MZJWZYIUSA-N -1 0 517.585 5.952 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408766628 1071718283 /nfs/dbraw/zinc/71/82/83/1071718283.db2.gz WAMAPEPSPFREHP-OEAKJJBVSA-N -1 0 624.329 6.802 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408765364 1071724313 /nfs/dbraw/zinc/72/43/13/1071724313.db2.gz LGNKTUUIQOAWAO-SSDVNMTOSA-N -1 0 529.401 6.171 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408764504 1071728404 /nfs/dbraw/zinc/72/84/04/1071728404.db2.gz XDTBDFYGYSGMJJ-LPYMAVHISA-N -1 0 628.292 6.633 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc(C)c1Br ZINC000408763630 1071731882 /nfs/dbraw/zinc/73/18/82/1071731882.db2.gz JFKZHOKFECVEDG-NHDPSOOVSA-N -1 0 789.227 7.444 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)S2)cc(C)c1Br ZINC000408762866 1071734078 /nfs/dbraw/zinc/73/40/78/1071734078.db2.gz LNEYRCGEWUXXIY-VXLYETTFSA-N -1 0 531.815 6.569 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1[O-] ZINC000409036159 1071744244 /nfs/dbraw/zinc/74/42/44/1071744244.db2.gz AAPLBSIESVLGCJ-UHFFFAOYSA-N -1 0 524.488 7.585 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408776776 1071748535 /nfs/dbraw/zinc/74/85/35/1071748535.db2.gz QPBAEMPSTANPFU-OEAKJJBVSA-N -1 0 549.396 5.871 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409281303 1071753072 /nfs/dbraw/zinc/75/30/72/1071753072.db2.gz LZYJDDHWLUUSKX-QGZVFWFLSA-N -1 0 642.934 6.663 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Cl)C(=O)[O-] ZINC000409281359 1071754024 /nfs/dbraw/zinc/75/40/24/1071754024.db2.gz LHGQMSOQWTZHKU-AWEZNQCLSA-N -1 0 522.344 5.851 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409281005 1071757684 /nfs/dbraw/zinc/75/76/84/1071757684.db2.gz LOJAUXGAHUTELY-HXUWFJFHSA-N -1 0 625.479 6.714 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409281179 1071755635 /nfs/dbraw/zinc/75/56/35/1071755635.db2.gz CQSNHRQMWFJXDJ-HNNXBMFYSA-N -1 0 562.376 5.315 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409280973 1071757175 /nfs/dbraw/zinc/75/71/75/1071757175.db2.gz LCSIUGYIOASOJT-OAHLLOKOSA-N -1 0 547.951 5.214 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCC(=O)[O-])c(OCC)c2)cc1C(C)C ZINC000409281058 1071758712 /nfs/dbraw/zinc/75/87/12/1071758712.db2.gz KFAGUSVEFOCFDS-UHFFFAOYSA-N -1 0 622.516 6.401 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409280878 1071760521 /nfs/dbraw/zinc/76/05/21/1071760521.db2.gz LHTRQYRRESJYDN-CYBMUJFWSA-N -1 0 645.691 6.722 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000409280568 1071765097 /nfs/dbraw/zinc/76/50/97/1071765097.db2.gz LMAXLBRHUVMFLN-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2I)cc1 ZINC000409033871 1071766143 /nfs/dbraw/zinc/76/61/43/1071766143.db2.gz MEVGIVPTYFZQJN-PZOKPFNQSA-N -1 0 564.195 5.282 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409280641 1071766354 /nfs/dbraw/zinc/76/63/54/1071766354.db2.gz LSPRKIJPHHDLBL-UHFFFAOYSA-N -1 0 613.592 6.979 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1I ZINC000408772604 1071771723 /nfs/dbraw/zinc/77/17/23/1071771723.db2.gz DKCGOXWWCZHNOB-CXEDADEWSA-N -1 0 682.277 6.168 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408772710 1071772237 /nfs/dbraw/zinc/77/22/37/1071772237.db2.gz FICOEAVDHCERAR-PCLIKHOPSA-N -1 0 575.459 6.130 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409280130 1071772676 /nfs/dbraw/zinc/77/26/76/1071772676.db2.gz AQSFSUAQEBXCRU-UHFFFAOYSA-N -1 0 568.855 6.269 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772728 1071772790 /nfs/dbraw/zinc/77/27/90/1071772790.db2.gz FKKKMWFJMFULFM-HZHRSRAPSA-N -1 0 598.824 5.919 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771426 1071779555 /nfs/dbraw/zinc/77/95/55/1071779555.db2.gz HZRJOFDYGJJTPZ-WGOQTCKBSA-N -1 0 555.587 5.584 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408770829 1071784939 /nfs/dbraw/zinc/78/49/39/1071784939.db2.gz AHAVTOJIWCDPKJ-WGOQTCKBSA-N -1 0 528.580 5.815 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1C(C)C ZINC000409279217 1071787139 /nfs/dbraw/zinc/78/71/39/1071787139.db2.gz GSMXCLGONGIMNM-UHFFFAOYSA-N -1 0 630.528 7.970 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Cl)cc1 ZINC000409278985 1071793134 /nfs/dbraw/zinc/79/31/34/1071793134.db2.gz GAAVARLQTACLBQ-UHFFFAOYSA-N -1 0 515.997 6.257 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408769337 1071794434 /nfs/dbraw/zinc/79/44/34/1071794434.db2.gz RKFJBTPAHSEPND-PCLIKHOPSA-N -1 0 511.534 5.186 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409278132 1071808328 /nfs/dbraw/zinc/80/83/28/1071808328.db2.gz CZWSBGSEHUCGEK-UHFFFAOYSA-N -1 0 670.560 7.434 40 30 KKEBRM C[C@H](Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409278147 1071808737 /nfs/dbraw/zinc/80/87/37/1071808737.db2.gz CYTFBKZOGFVPRJ-HNNXBMFYSA-N -1 0 532.350 5.306 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408782435 1071810659 /nfs/dbraw/zinc/81/06/59/1071810659.db2.gz HAPVCOWDGALSJP-FSJBWODESA-N -1 0 614.323 7.347 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409277964 1071811017 /nfs/dbraw/zinc/81/10/17/1071811017.db2.gz CCULCJXVSITQLO-OAQYLSRUSA-N -1 0 556.663 5.694 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)cc1I ZINC000408782499 1071811348 /nfs/dbraw/zinc/81/13/48/1071811348.db2.gz JGIFFIGNFSXFGA-RZNTYIFUSA-N -1 0 719.520 5.667 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409277804 1071813191 /nfs/dbraw/zinc/81/31/91/1071813191.db2.gz CSPBZJAPCHAFLP-UHFFFAOYSA-N -1 0 641.080 7.225 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408782349 1071812486 /nfs/dbraw/zinc/81/24/86/1071812486.db2.gz FYODEEUTQBNDAW-KEBDBYFISA-N -1 0 566.795 5.228 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409277895 1071814990 /nfs/dbraw/zinc/81/49/90/1071814990.db2.gz BPXMYDXSLIFAQB-UHFFFAOYSA-N -1 0 623.460 5.923 40 30 KKEBRM N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408781453 1071818150 /nfs/dbraw/zinc/81/81/50/1071818150.db2.gz SMDAEKWASBWDOF-DJKKODMXSA-N -1 0 709.665 5.666 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1O[C@H](C)C(=O)[O-] ZINC000409277602 1071820117 /nfs/dbraw/zinc/82/01/17/1071820117.db2.gz BHEYSKZAFOTNMM-LJQANCHMSA-N -1 0 529.593 5.247 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(I)c([O-])c(I)c2)sc2c1CCCC2 ZINC000408779819 1071827652 /nfs/dbraw/zinc/82/76/52/1071827652.db2.gz LGUIEOJEFBWSOU-WKIKZPBSSA-N -1 0 642.300 6.222 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c([O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409045920 1071835912 /nfs/dbraw/zinc/83/59/12/1071835912.db2.gz PZRQCEFZTCMMSR-UHFFFAOYSA-N -1 0 506.470 6.421 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409293476 1071836926 /nfs/dbraw/zinc/83/69/26/1071836926.db2.gz KKDVNHPNUKBHQB-UHFFFAOYSA-N -1 0 664.715 7.360 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408786916 1071845904 /nfs/dbraw/zinc/84/59/04/1071845904.db2.gz XLEZOSGVEWXPHP-BUVRLJJBSA-N -1 0 545.433 6.040 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2Br)cc1 ZINC000409292895 1071848039 /nfs/dbraw/zinc/84/80/39/1071848039.db2.gz VWATZTYWXYMGDV-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408786687 1071849064 /nfs/dbraw/zinc/84/90/64/1071849064.db2.gz URLLUZMATQZISD-LFVJCYFKSA-N -1 0 578.406 5.574 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409292360 1071853525 /nfs/dbraw/zinc/85/35/25/1071853525.db2.gz GJCCUCHMQYZGQJ-UHFFFAOYSA-N -1 0 520.383 5.442 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409292479 1071855953 /nfs/dbraw/zinc/85/59/53/1071855953.db2.gz UERGPAGOWXCXRL-UHFFFAOYSA-N -1 0 511.578 5.612 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408784462 1071863976 /nfs/dbraw/zinc/86/39/76/1071863976.db2.gz SUWIHIFMDMPGJM-TURZUDJPSA-N -1 0 502.570 6.122 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409291730 1071871061 /nfs/dbraw/zinc/87/10/61/1071871061.db2.gz BQNFZLFPFRXAQM-UHFFFAOYSA-N -1 0 570.602 5.911 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409291645 1071869555 /nfs/dbraw/zinc/86/95/55/1071869555.db2.gz DIHMZQKIFJYRCJ-UHFFFAOYSA-N -1 0 652.068 5.254 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409291530 1071873307 /nfs/dbraw/zinc/87/33/07/1071873307.db2.gz QCEJODJMDSHRRU-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408782885 1071874393 /nfs/dbraw/zinc/87/43/93/1071874393.db2.gz KHBWSHWFIARVTC-DJKKODMXSA-N -1 0 571.214 5.873 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408794954 1071883619 /nfs/dbraw/zinc/88/36/19/1071883619.db2.gz KPRDODOGYOPZBU-NBBXONKTSA-N -1 0 563.075 6.978 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2Cl)cc1 ZINC000409291240 1071878595 /nfs/dbraw/zinc/87/85/95/1071878595.db2.gz XAZMJWOZIHIRKB-UHFFFAOYSA-N -1 0 618.860 7.929 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408796812 1071878627 /nfs/dbraw/zinc/87/86/27/1071878627.db2.gz QANDQFAGONUKIN-FKULMYBFSA-N -1 0 571.424 6.108 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2cccc3ccccc32)C2=C1CCCC2=O ZINC000409041664 1071879294 /nfs/dbraw/zinc/87/92/94/1071879294.db2.gz KKYIOVDOEXEMKD-UHFFFAOYSA-N -1 0 665.378 7.442 40 30 KKEBRM Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2I)cc1 ZINC000408796182 1071879836 /nfs/dbraw/zinc/87/98/36/1071879836.db2.gz XHQBXDTXAOILJX-LUAXBZEPSA-N -1 0 584.435 6.111 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291046 1071880350 /nfs/dbraw/zinc/88/03/50/1071880350.db2.gz BPQWPBGKRDCSMB-UHFFFAOYSA-N -1 0 643.332 6.387 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409291064 1071881039 /nfs/dbraw/zinc/88/10/39/1071881039.db2.gz WEMLCYRJEMEKNQ-UHFFFAOYSA-N -1 0 656.842 7.658 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408794303 1071885971 /nfs/dbraw/zinc/88/59/71/1071885971.db2.gz HZKDIJASNWWYIO-CTMKFROTSA-N -1 0 632.451 6.340 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792366 1071888183 /nfs/dbraw/zinc/88/81/83/1071888183.db2.gz AVVUXONOKWSKJO-DIENZIEHSA-N -1 0 620.294 6.862 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792048 1071888714 /nfs/dbraw/zinc/88/87/14/1071888714.db2.gz HAKSNVHFXQFZKV-MIJAQDJLSA-N -1 0 558.399 6.413 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408792133 1071888759 /nfs/dbraw/zinc/88/87/59/1071888759.db2.gz ILGGFDDIVRABGO-AHPASSLASA-N -1 0 567.461 6.277 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408791608 1071889226 /nfs/dbraw/zinc/88/92/26/1071889226.db2.gz ZLFVIQKHUFFWFU-AORAWDAISA-N -1 0 519.535 5.114 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 ZINC000409290694 1071891445 /nfs/dbraw/zinc/89/14/45/1071891445.db2.gz AKBMMSPQEXOXCA-UHFFFAOYSA-N -1 0 588.498 6.150 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408790320 1071893453 /nfs/dbraw/zinc/89/34/53/1071893453.db2.gz VOTJIQVXVDSYBE-HJEKTSHMSA-N -1 0 592.471 6.230 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408789040 1071897290 /nfs/dbraw/zinc/89/72/90/1071897290.db2.gz IMKIXLLDHOGEHJ-PCLIKHOPSA-N -1 0 500.982 5.931 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409290284 1071899980 /nfs/dbraw/zinc/89/99/80/1071899980.db2.gz RWSJNCMYEHUNJP-UHFFFAOYSA-N -1 0 581.426 6.560 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OCC)c1OCC(=O)[O-] ZINC000409290125 1071902545 /nfs/dbraw/zinc/90/25/45/1071902545.db2.gz KEPUCVMSXMUOIN-UHFFFAOYSA-N -1 0 523.545 5.283 40 30 KKEBRM CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1Br ZINC000408798177 1071913194 /nfs/dbraw/zinc/91/31/94/1071913194.db2.gz VAIUKRKNTJPJGP-JBNCTIPCSA-N -1 0 598.269 5.086 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Cl)C(=O)[O-] ZINC000409289639 1071908445 /nfs/dbraw/zinc/90/84/45/1071908445.db2.gz ODMTXHAUGWVQSG-AWEZNQCLSA-N -1 0 515.875 5.470 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCc4cccc(C(=O)[O-])c4)c([N+](=O)[O-])c3)cc21 ZINC000409289696 1071910184 /nfs/dbraw/zinc/91/01/84/1071910184.db2.gz OIRGULYELCCRAI-UHFFFAOYSA-N -1 0 669.444 6.648 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(I)c1OC(C)C ZINC000409056852 1071919825 /nfs/dbraw/zinc/91/98/25/1071919825.db2.gz OOEQHEZPBFOWLO-GQKMNLJRSA-N -1 0 580.444 5.799 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409056461 1071920969 /nfs/dbraw/zinc/92/09/69/1071920969.db2.gz DXXHKDJBVHQAED-WSCLTDIXSA-N -1 0 537.435 6.350 40 30 KKEBRM C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409056396 1071922541 /nfs/dbraw/zinc/92/25/41/1071922541.db2.gz LYNATGLEELADPN-UHFFFAOYSA-N -1 0 532.464 6.328 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C(C)C ZINC000409288564 1071925667 /nfs/dbraw/zinc/92/56/67/1071925667.db2.gz AZPFFCCYVKZJHD-UHFFFAOYSA-N -1 0 733.457 8.578 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409288621 1071926491 /nfs/dbraw/zinc/92/64/91/1071926491.db2.gz IGQYSIBAUNCCJD-UHFFFAOYSA-N -1 0 750.343 7.345 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409288518 1071928994 /nfs/dbraw/zinc/92/89/94/1071928994.db2.gz ARRNTWVSUZGNLF-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409288532 1071929513 /nfs/dbraw/zinc/92/95/13/1071929513.db2.gz AUOPIKVDQXYWKF-UHFFFAOYSA-N -1 0 713.450 7.245 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409055039 1071930579 /nfs/dbraw/zinc/93/05/79/1071930579.db2.gz HTLJWRJDAAVYQY-UHFFFAOYSA-N -1 0 646.589 6.840 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409054168 1071935165 /nfs/dbraw/zinc/93/51/65/1071935165.db2.gz NGVFEXTUFIIKGJ-ZQYOCUCXSA-N -1 0 577.102 7.368 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)ccc1O[C@H](C)C(=O)[O-] ZINC000409288389 1071932144 /nfs/dbraw/zinc/93/21/44/1071932144.db2.gz GVIYIXDQIGTUBF-OAQYLSRUSA-N -1 0 557.647 6.027 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409288397 1071932165 /nfs/dbraw/zinc/93/21/65/1071932165.db2.gz GYCXKLIIYRYWRE-UHFFFAOYSA-N -1 0 666.450 7.403 40 30 KKEBRM C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000409287989 1071934532 /nfs/dbraw/zinc/93/45/32/1071934532.db2.gz BMPIRAWVWIYUEF-CQSZACIVSA-N -1 0 577.347 5.215 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409287732 1071940203 /nfs/dbraw/zinc/94/02/03/1071940203.db2.gz YPDNRNYYSWSGJW-UHFFFAOYSA-N -1 0 708.201 6.805 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCc3cccc(C(=O)[O-])c3)c(Br)c2Br)cc1C(C)C ZINC000409287776 1071940779 /nfs/dbraw/zinc/94/07/79/1071940779.db2.gz ZEBNZXUCOMWSTP-UHFFFAOYSA-N -1 0 749.456 8.197 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409287561 1071942345 /nfs/dbraw/zinc/94/23/45/1071942345.db2.gz WPKHBGQRXYBACE-LJQANCHMSA-N -1 0 622.516 6.399 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409287550 1071941868 /nfs/dbraw/zinc/94/18/68/1071941868.db2.gz WNFPAZKTVTWIMU-UHFFFAOYSA-N -1 0 708.201 6.805 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409052906 1071944368 /nfs/dbraw/zinc/94/43/68/1071944368.db2.gz BLIRIJMVXQVBMI-UHFFFAOYSA-N -1 0 590.481 5.568 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c([O-])c(Br)c2)cc1C(C)C ZINC000409297278 1071949348 /nfs/dbraw/zinc/94/93/48/1071949348.db2.gz TXCDDJOASJBOFT-UHFFFAOYSA-N -1 0 554.872 6.898 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(=O)[O-])c(Cl)c3Br)cc21 ZINC000409297056 1071950995 /nfs/dbraw/zinc/95/09/95/1071950995.db2.gz VSPXPESYTZQGDJ-UHFFFAOYSA-N -1 0 612.820 5.588 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409297090 1071951459 /nfs/dbraw/zinc/95/14/59/1071951459.db2.gz JTDSLCDOZMDZJY-UHFFFAOYSA-N -1 0 551.643 6.341 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br)C(=O)[O-] ZINC000409296347 1071963079 /nfs/dbraw/zinc/96/30/79/1071963079.db2.gz SZQONMYGNDSQNY-OAHLLOKOSA-N -1 0 532.350 5.306 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409296043 1071967648 /nfs/dbraw/zinc/96/76/48/1071967648.db2.gz GUPBVKCGOCXFIO-UHFFFAOYSA-N -1 0 616.222 5.298 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2OCC(=O)[O-])cc1C(C)C ZINC000409295968 1071971062 /nfs/dbraw/zinc/97/10/62/1071971062.db2.gz PREMEFKMSNSOGG-UHFFFAOYSA-N -1 0 594.462 5.621 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C2=C1CCCC2=O ZINC000409048212 1071974295 /nfs/dbraw/zinc/97/42/95/1071974295.db2.gz RLEZOGPBNYJXRG-UHFFFAOYSA-N -1 0 560.861 6.724 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(I)c3)cc21 ZINC000409295840 1071974441 /nfs/dbraw/zinc/97/44/41/1071974441.db2.gz RPHAGLDKNRQYCS-UHFFFAOYSA-N -1 0 797.343 7.187 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2cccc(F)c2)C2=C1CCCC2=O ZINC000409047623 1071979375 /nfs/dbraw/zinc/97/93/75/1071979375.db2.gz OVTNFZYJHFUTOL-UHFFFAOYSA-N -1 0 633.308 6.428 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409295296 1071979920 /nfs/dbraw/zinc/97/99/20/1071979920.db2.gz OAIRDRGMZREYJY-UHFFFAOYSA-N -1 0 568.855 6.269 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000409295045 1071985263 /nfs/dbraw/zinc/98/52/63/1071985263.db2.gz NNKBOWYXJLBGMN-UHFFFAOYSA-N -1 0 629.412 7.184 40 30 KKEBRM CCN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059596 1071980531 /nfs/dbraw/zinc/98/05/31/1071980531.db2.gz QYIRBIKMRHXPRH-GSYGROADSA-N -1 0 516.022 6.665 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409294995 1071984645 /nfs/dbraw/zinc/98/46/45/1071984645.db2.gz NJKSDDIOCFDYBK-QGZVFWFLSA-N -1 0 623.460 5.909 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409294840 1071986669 /nfs/dbraw/zinc/98/66/69/1071986669.db2.gz NANWOIWUYZATJK-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409294551 1071991423 /nfs/dbraw/zinc/99/14/23/1071991423.db2.gz OWYZYDVNTTZOIC-AWEZNQCLSA-N -1 0 641.272 6.077 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409294433 1071994755 /nfs/dbraw/zinc/99/47/55/1071994755.db2.gz MFNAVBZBHYXJKL-UHFFFAOYSA-N -1 0 604.501 6.569 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409066447 1071994834 /nfs/dbraw/zinc/99/48/34/1071994834.db2.gz NDAZOYAOQIGBTL-ZVHZXABRSA-N -1 0 531.008 5.939 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)[O-] ZINC000409066469 1071995232 /nfs/dbraw/zinc/99/52/32/1071995232.db2.gz OVAAALTYHSEJHF-UHFFFAOYSA-N -1 0 593.458 5.079 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cccc(OCc3ccc(Cl)cc3Cl)c2)C2=C1CCCC2=O ZINC000409065135 1071996471 /nfs/dbraw/zinc/99/64/71/1071996471.db2.gz GNIVCKPTGCQJQX-UHFFFAOYSA-N -1 0 540.443 6.461 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC ZINC000409065154 1071996570 /nfs/dbraw/zinc/99/65/70/1071996570.db2.gz HVZZEIZDCNRHEI-UHFFFAOYSA-N -1 0 535.681 5.983 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1F ZINC000409067187 1071998601 /nfs/dbraw/zinc/99/86/01/1071998601.db2.gz PNGGAIRBDKLAMA-UHFFFAOYSA-N -1 0 701.573 7.178 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 ZINC000409066792 1071999767 /nfs/dbraw/zinc/99/97/67/1071999767.db2.gz OAGJTKSWKQENEC-UHFFFAOYSA-N -1 0 515.606 5.471 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409307019 1072004642 /nfs/dbraw/zinc/00/46/42/1072004642.db2.gz QSFSZFIBXHCCMG-UHFFFAOYSA-N -1 0 564.436 5.612 40 30 KKEBRM O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-] ZINC000409307099 1072005929 /nfs/dbraw/zinc/00/59/29/1072005929.db2.gz QZDPHIFYYDMWJB-UHFFFAOYSA-N -1 0 597.765 5.479 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000409064737 1072014091 /nfs/dbraw/zinc/01/40/91/1072014091.db2.gz DZYSYZZEWQWFIG-UHFFFAOYSA-N -1 0 592.132 7.088 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc2Br)cc1 ZINC000409065225 1072010899 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1072062826 /nfs/dbraw/zinc/06/28/26/1072062826.db2.gz LDDGMOYLAUPSKC-QWHCGFSZSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000409302860 1072062852 /nfs/dbraw/zinc/06/28/52/1072062852.db2.gz LDDGMOYLAUPSKC-STQMWFEESA-N -1 0 581.261 5.178 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000409075164 1072062920 /nfs/dbraw/zinc/06/29/20/1072062920.db2.gz PEQGYCCNCRATDH-UHFFFAOYSA-N -1 0 591.682 5.080 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409075199 1072062934 /nfs/dbraw/zinc/06/29/34/1072062934.db2.gz PNSHXSBIOKILLG-UHFFFAOYSA-N -1 0 730.450 7.859 40 30 KKEBRM CCCOc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OCC ZINC000409075330 1072061690 /nfs/dbraw/zinc/06/16/90/1072061690.db2.gz YVRNXZLEHHCFLZ-NVHABHRXSA-N -1 0 566.417 5.411 40 30 KKEBRM 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COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409300143 1072093940 /nfs/dbraw/zinc/09/39/40/1072093940.db2.gz XGOQDBYUYJCUIG-UHFFFAOYSA-N -1 0 556.575 5.520 40 30 KKEBRM C#CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409070162 1072096776 /nfs/dbraw/zinc/09/67/76/1072096776.db2.gz XVLNMWLQZLYQEP-UHFFFAOYSA-N -1 0 544.475 6.166 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409299742 1072099488 /nfs/dbraw/zinc/09/94/88/1072099488.db2.gz VAWLOFMJEWDVMH-IBGZPJMESA-N -1 0 558.591 5.536 40 30 KKEBRM C=CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000409069540 1072103101 /nfs/dbraw/zinc/10/31/01/1072103101.db2.gz DIFXFZWFKIOGNQ-UHFFFAOYSA-N -1 0 556.099 6.464 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299288 1072107082 /nfs/dbraw/zinc/10/70/82/1072107082.db2.gz PRTOQOKMMLRVAN-UHFFFAOYSA-N -1 0 676.305 5.884 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409068327 1072112763 /nfs/dbraw/zinc/11/27/63/1072112763.db2.gz RXUXELXOWANJCP-XQNSMLJCSA-N -1 0 516.981 5.713 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409298802 1072113083 /nfs/dbraw/zinc/11/30/83/1072113083.db2.gz PIBPKUZCSGHCDH-UHFFFAOYSA-N -1 0 699.558 7.724 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2cccc3ccccc32)c1 ZINC000409068381 1072113097 /nfs/dbraw/zinc/11/30/97/1072113097.db2.gz GCSKMUDCOROODS-UHFFFAOYSA-N -1 0 577.721 7.579 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000409068138 1072113146 /nfs/dbraw/zinc/11/31/46/1072113146.db2.gz HLDKKEDUCVQTFQ-UHFFFAOYSA-N -1 0 609.333 7.767 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299084 1072107962 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CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409298758 1072116384 /nfs/dbraw/zinc/11/63/84/1072116384.db2.gz XNNRUMCPDOCVSX-HNNXBMFYSA-N -1 0 655.299 6.468 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409298756 1072116440 /nfs/dbraw/zinc/11/64/40/1072116440.db2.gz XMVODYZGFISHJC-UHFFFAOYSA-N -1 0 560.448 6.366 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409298492 1072116453 /nfs/dbraw/zinc/11/64/53/1072116453.db2.gz OGRNFYVJUXYHJM-UHFFFAOYSA-N -1 0 526.549 5.512 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409298307 1072122085 /nfs/dbraw/zinc/12/20/85/1072122085.db2.gz WHSJIZIRIBDCOS-UHFFFAOYSA-N -1 0 563.452 5.508 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080090 1072125633 /nfs/dbraw/zinc/12/56/33/1072125633.db2.gz HQMWWHOFXUYYCS-CIAFOILYSA-N -1 0 606.975 6.051 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)cc1C(C)C ZINC000409297624 1072128926 /nfs/dbraw/zinc/12/89/26/1072128926.db2.gz UJGNRBSSGWWXMV-UHFFFAOYSA-N -1 0 687.534 7.268 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC000409315303 1072135360 /nfs/dbraw/zinc/13/53/60/1072135360.db2.gz UWELPCZGLVIZJV-HNNXBMFYSA-N -1 0 722.228 7.366 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409079225 1072135893 /nfs/dbraw/zinc/13/58/93/1072135893.db2.gz AFHCUJMXIBDXSD-FKDKVRNPSA-N -1 0 601.168 8.833 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000409315375 1072136395 /nfs/dbraw/zinc/13/63/95/1072136395.db2.gz VGRFIUJOEMJFCE-UHFFFAOYSA-N -1 0 629.305 6.042 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409315058 1072138449 /nfs/dbraw/zinc/13/84/49/1072138449.db2.gz MUIHZXHWHHKRSF-INIZCTEOSA-N -1 0 598.881 6.494 40 30 KKEBRM C[C@@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc21 ZINC000409314326 1072144491 /nfs/dbraw/zinc/14/44/91/1072144491.db2.gz FTPQCTDNGVGCOF-INIZCTEOSA-N -1 0 521.415 5.689 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000409313836 1072147423 /nfs/dbraw/zinc/14/74/23/1072147423.db2.gz DKTHYKDOJUZREX-APWZRJJASA-N -1 0 565.468 5.814 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cccc2[N+](=O)[O-])c1 ZINC000409313843 1072147845 /nfs/dbraw/zinc/14/78/45/1072147845.db2.gz JDRLSUDJCQNYNI-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078049 1072148185 /nfs/dbraw/zinc/14/81/85/1072148185.db2.gz GNXDEDKTANPXDN-UHFFFAOYSA-N -1 0 634.991 6.956 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409313647 1072151036 /nfs/dbraw/zinc/15/10/36/1072151036.db2.gz QLVHTWXJMSPOQI-UHFFFAOYSA-N -1 0 599.279 6.033 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409077737 1072151103 /nfs/dbraw/zinc/15/11/03/1072151103.db2.gz FRBLOITVSABHLX-UHFFFAOYSA-N -1 0 717.469 6.187 40 30 KKEBRM C[C@@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409313668 1072151537 /nfs/dbraw/zinc/15/15/37/1072151537.db2.gz PBIBEGDHYNKJNT-CQSZACIVSA-N -1 0 532.822 5.594 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409077827 1072151998 /nfs/dbraw/zinc/15/19/98/1072151998.db2.gz FZRDIGADANKLPR-SHCJNDJLSA-N -1 0 590.927 7.932 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409087102 1072158243 /nfs/dbraw/zinc/15/82/43/1072158243.db2.gz GGXVSVNCMVSDOO-QUUBRYRRSA-N -1 0 551.064 6.886 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000409312758 1072158619 /nfs/dbraw/zinc/15/86/19/1072158619.db2.gz MHQMYAVMBQLOQM-UHFFFAOYSA-N -1 0 657.359 6.822 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409313198 1072154199 /nfs/dbraw/zinc/15/41/99/1072154199.db2.gz OTJIVIVRSBEVIF-CVEARBPZSA-N -1 0 542.430 5.144 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086914 1072162188 /nfs/dbraw/zinc/16/21/88/1072162188.db2.gz SAZBFINUUHCINX-UHFFFAOYSA-N -1 0 687.746 7.583 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000409312098 1072163777 /nfs/dbraw/zinc/16/37/77/1072163777.db2.gz JKONTMKRTBEJEX-UHFFFAOYSA-N -1 0 528.790 5.995 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)sc2C1 ZINC000409086561 1072165291 /nfs/dbraw/zinc/16/52/91/1072165291.db2.gz QYIMKKLBHHHDQB-BCFXSHNWSA-N -1 0 509.369 5.740 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409312247 1072162039 /nfs/dbraw/zinc/16/20/39/1072162039.db2.gz KFGICFADWQJMBL-KRWDZBQOSA-N -1 0 657.359 6.993 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086009 1072172139 /nfs/dbraw/zinc/17/21/39/1072172139.db2.gz PQPSZRAUYADXJY-UHFFFAOYSA-N -1 0 768.523 7.789 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C ZINC000409310933 1072176849 /nfs/dbraw/zinc/17/68/49/1072176849.db2.gz DFSPDQVIGZHULP-INIZCTEOSA-N -1 0 551.441 5.426 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)sc2C1 ZINC000409085410 1072178317 /nfs/dbraw/zinc/17/83/17/1072178317.db2.gz SEZSZBGTUMCDRO-OAUCOEEBSA-N -1 0 551.506 7.561 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085463 1072179434 /nfs/dbraw/zinc/17/94/34/1072179434.db2.gz ONENMDXHLDNYMN-UHFFFAOYSA-N -1 0 695.518 8.873 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409310737 1072180621 /nfs/dbraw/zinc/18/06/21/1072180621.db2.gz BOPRZGHLCDMXBI-SNVBAGLBSA-N -1 0 558.068 5.785 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409310553 1072182363 /nfs/dbraw/zinc/18/23/63/1072182363.db2.gz AVJIQWZWRONKEC-MRXNPFEDSA-N -1 0 736.255 7.756 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409310424 1072183812 /nfs/dbraw/zinc/18/38/12/1072183812.db2.gz ACZNBJIWZJYRRX-INIZCTEOSA-N -1 0 579.407 5.740 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409084357 1072190282 /nfs/dbraw/zinc/19/02/82/1072190282.db2.gz XBGFADMVMSKYOF-GAWHJTMWSA-N -1 0 636.351 7.653 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409309517 1072191923 /nfs/dbraw/zinc/19/19/23/1072191923.db2.gz IQGNBOPPJUQGMM-INIZCTEOSA-N -1 0 598.881 6.494 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082703 1072207226 /nfs/dbraw/zinc/20/72/26/1072207226.db2.gz TXDXKSIFGIHWTF-UHFFFAOYSA-N -1 0 659.692 6.803 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(=O)[O-])c(OCC)c2)cc1C(C)C ZINC000409308309 1072207327 /nfs/dbraw/zinc/20/73/27/1072207327.db2.gz YBGFOXONLAHCHG-UHFFFAOYSA-N -1 0 578.065 6.292 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409308310 1072207334 /nfs/dbraw/zinc/20/73/34/1072207334.db2.gz WZNYAVMBPTWGIH-IBGZPJMESA-N -1 0 669.516 6.241 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083123 1072205201 /nfs/dbraw/zinc/20/52/01/1072205201.db2.gz RXZQFYRUVFMIRT-UDWIEESQSA-N -1 0 585.466 5.949 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C2=C1CCCC2=O ZINC000409082343 1072213477 /nfs/dbraw/zinc/21/34/77/1072213477.db2.gz SGYSRCMYCCMYBC-UHFFFAOYSA-N -1 0 619.339 7.223 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082382 1072213940 /nfs/dbraw/zinc/21/39/40/1072213940.db2.gz JBYWXVKVVCUYKA-FYJGNVAPSA-N -1 0 660.399 6.962 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082257 1072215903 /nfs/dbraw/zinc/21/59/03/1072215903.db2.gz RUAFGYCZWRVYQI-OEAKJJBVSA-N -1 0 609.557 6.816 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409317230 1072224691 /nfs/dbraw/zinc/22/46/91/1072224691.db2.gz SVDGKZGSYMKVKK-KBPBESRZSA-N -1 0 595.288 5.568 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC000409316502 1072230518 /nfs/dbraw/zinc/23/05/18/1072230518.db2.gz YMXNBLJANYBNES-GFCCVEGCSA-N -1 0 724.131 5.445 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cccc(C(=O)[O-])c2C)o1 ZINC000409315483 1072239726 /nfs/dbraw/zinc/23/97/26/1072239726.db2.gz VPOSITPFBIVQBF-UHFFFAOYSA-N -1 0 508.372 5.650 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409315738 1072236563 /nfs/dbraw/zinc/23/65/63/1072236563.db2.gz JTGATBCFPHFHML-UHFFFAOYSA-N -1 0 658.303 6.332 40 30 KKEBRM COc1ccccc1Oc1ccc(/N=C/c2cc(Br)cc(I)c2[O-])cc1 ZINC000409095523 1072239993 /nfs/dbraw/zinc/23/99/93/1072239993.db2.gz CYHMSGZMVGWINJ-FSJBWODESA-N -1 0 524.152 6.311 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409325886 1072253726 /nfs/dbraw/zinc/25/37/26/1072253726.db2.gz CGMGQHGRPNOFOX-OAHLLOKOSA-N -1 0 647.751 7.248 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409326113 1072249875 /nfs/dbraw/zinc/24/98/75/1072249875.db2.gz GYABFMJCWBDHSU-NEPJUHHUSA-N -1 0 596.232 5.077 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409324928 1072260196 /nfs/dbraw/zinc/26/01/96/1072260196.db2.gz WMXAQBFLXYDDMW-MRXNPFEDSA-N -1 0 736.255 7.756 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409324956 1072260670 /nfs/dbraw/zinc/26/06/70/1072260670.db2.gz VPBXTGHKTSGCJV-UHFFFAOYSA-N -1 0 683.397 7.527 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409093068 1072255566 /nfs/dbraw/zinc/25/55/66/1072255566.db2.gz ZBEWEUHBVBUATI-NCSSBCTCSA-N -1 0 680.064 9.595 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)c([O-])c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091794 1072267884 /nfs/dbraw/zinc/26/78/84/1072267884.db2.gz UUKRPIHUBBVNPP-BMCAMTEYSA-N -1 0 538.283 8.431 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409092255 1072264029 /nfs/dbraw/zinc/26/40/29/1072264029.db2.gz URDUTJQVBVJWTI-UHFFFAOYSA-N -1 0 589.601 6.066 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409324587 1072264756 /nfs/dbraw/zinc/26/47/56/1072264756.db2.gz UGOGEMZJSNMFFI-QGZVFWFLSA-N -1 0 657.359 6.993 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(O)c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409092070 1072264859 /nfs/dbraw/zinc/26/48/59/1072264859.db2.gz SRSKJOWVLSSGEE-NXZPZOCRSA-N -1 0 511.485 7.370 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409323698 1072273249 /nfs/dbraw/zinc/27/32/49/1072273249.db2.gz PHBQFURWONMGAD-OAHLLOKOSA-N -1 0 621.326 6.102 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC000409323919 1072269623 /nfs/dbraw/zinc/26/96/23/1072269623.db2.gz QCCTUDYQYJSPOU-LLVKDONJSA-N -1 0 571.653 5.434 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1OCC(=O)[O-] ZINC000409323756 1072270883 /nfs/dbraw/zinc/27/08/83/1072270883.db2.gz QBWDWIQVLBSFEP-UHFFFAOYSA-N -1 0 607.299 5.714 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090619 1072278738 /nfs/dbraw/zinc/27/87/38/1072278738.db2.gz MLNXNCDSMSSHDI-UHFFFAOYSA-N -1 0 600.546 6.303 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@H](C)C(=O)[O-])c2ccccc12 ZINC000409322963 1072278859 /nfs/dbraw/zinc/27/88/59/1072278859.db2.gz MAEYZYQXRJAUKI-GDBMZVCRSA-N -1 0 509.404 5.463 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(I)c([O-])c([N+](=O)[O-])c3)c2C(=O)NCc2ccco2)C1 ZINC000409090649 1072279191 /nfs/dbraw/zinc/27/91/91/1072279191.db2.gz MVXIJRHFGQEVIW-SMAZRQGKSA-N -1 0 607.470 6.391 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409090673 1072279282 /nfs/dbraw/zinc/27/92/82/1072279282.db2.gz NCVHHEBSEWFLTP-FKDKVRNPSA-N -1 0 601.168 8.833 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000409088345 1072299995 /nfs/dbraw/zinc/29/99/95/1072299995.db2.gz XDAYTVKXLXRGIZ-VWVHTXQDSA-N -1 0 692.429 8.162 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC000409320441 1072300975 /nfs/dbraw/zinc/30/09/75/1072300975.db2.gz BJFDUGBSELQMDK-ZDUSSCGKSA-N -1 0 581.261 5.007 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409320445 1072301036 /nfs/dbraw/zinc/30/10/36/1072301036.db2.gz AXNZDGDJDWJRKU-KRWDZBQOSA-N -1 0 534.410 5.832 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088012 1072301973 /nfs/dbraw/zinc/30/19/73/1072301973.db2.gz DLXXTYKTPQSDJW-UHFFFAOYSA-N -1 0 782.550 8.179 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC000409320303 1072302506 /nfs/dbraw/zinc/30/25/06/1072302506.db2.gz PVYMUWRZTHVMOC-QWHCGFSZSA-N -1 0 581.261 5.178 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Cl)cc(I)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409087430 1072308507 /nfs/dbraw/zinc/30/85/07/1072308507.db2.gz YSBFUIVRQKXBCF-FFCNRAIOSA-N -1 0 592.930 7.866 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409336683 1072329365 /nfs/dbraw/zinc/32/93/65/1072329365.db2.gz VHUVYJWJUSOJKM-GKTKDVHMSA-N -1 0 663.933 6.458 40 30 KKEBRM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409098487 1072330237 /nfs/dbraw/zinc/33/02/37/1072330237.db2.gz OZTOKCLXISTQCV-FSJBWODESA-N -1 0 595.496 6.402 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)SC2=N)s1 ZINC000409336150 1072334409 /nfs/dbraw/zinc/33/44/09/1072334409.db2.gz LYCADIHUIKRFHX-ANFUGJHOSA-N -1 0 500.443 5.860 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409335610 1072337129 /nfs/dbraw/zinc/33/71/29/1072337129.db2.gz KRWUTAHLKMDSHG-BAIFKEBXSA-N -1 0 530.469 5.868 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(I)c1OCc1ccc(Br)cc1 ZINC000409335637 1072337262 /nfs/dbraw/zinc/33/72/62/1072337262.db2.gz KZGMFDFUAPEINJ-WSAQVMDCSA-N -1 0 670.392 6.863 40 30 KKEBRM COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409098125 1072334220 /nfs/dbraw/zinc/33/42/20/1072334220.db2.gz IKUYPWYGTBGWPV-ORBVJSQLSA-N -1 0 524.293 5.595 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)o2)cc1 ZINC000409334765 1072343481 /nfs/dbraw/zinc/34/34/81/1072343481.db2.gz MYEQSRURMQZBKE-UHFFFAOYSA-N -1 0 520.383 6.047 40 30 KKEBRM C[C@@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409334378 1072347053 /nfs/dbraw/zinc/34/70/53/1072347053.db2.gz LBZHJTUTJVGFIG-QGZVFWFLSA-N -1 0 548.437 6.094 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409332001 1072365073 /nfs/dbraw/zinc/36/50/73/1072365073.db2.gz JCCQRQGXVMQHKU-UHFFFAOYSA-N -1 0 644.276 5.942 40 30 KKEBRM COc1c([O-])c(Br)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000409331088 1072371728 /nfs/dbraw/zinc/37/17/28/1072371728.db2.gz CGRUJNMXTWAUNC-JOCHJYFZSA-N -1 0 523.383 6.534 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409331414 1072369964 /nfs/dbraw/zinc/36/99/64/1072369964.db2.gz DADHXGUAXLYWGT-UONOGXRCSA-N -1 0 595.288 5.568 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=NNc3ccc(C(F)(F)F)cn3)cc2I)cc1 ZINC000409108931 1072404113 /nfs/dbraw/zinc/40/41/13/1072404113.db2.gz YWSRBKGSRWEAHG-HIUVJMHLSA-N -1 0 667.163 6.033 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Br)c1OCc1ccccc1 ZINC000409337000 1072406527 /nfs/dbraw/zinc/40/65/27/1072406527.db2.gz SFCBMRNPYUJIFC-IQHNMLNVSA-N -1 0 501.427 5.911 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)SC2=N)s1 ZINC000409336980 1072406568 /nfs/dbraw/zinc/40/65/68/1072406568.db2.gz RWMHELLTZNRCRR-KGKNVMFBSA-N -1 0 537.508 6.592 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409108078 1072410496 /nfs/dbraw/zinc/41/04/96/1072410496.db2.gz VJNYBHZHLRYRSU-LGJNPRDNSA-N -1 0 536.251 6.978 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409124216 1072467468 /nfs/dbraw/zinc/46/74/68/1072467468.db2.gz ACAPYFLAHIDNKD-NLRVBDNBSA-N -1 0 634.707 5.041 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409338575 1072484062 /nfs/dbraw/zinc/48/40/62/1072484062.db2.gz MJXBXOIHTOSWNN-HMAPJEAMSA-N -1 0 601.569 6.373 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=N)s1 ZINC000409337650 1072492313 /nfs/dbraw/zinc/49/23/13/1072492313.db2.gz XBPPZRJHFQXZNF-QNGHMQJGSA-N -1 0 501.633 6.259 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000409337672 1072492891 /nfs/dbraw/zinc/49/28/91/1072492891.db2.gz XQWLLOOFLNIZPB-HXAXYJCOSA-N -1 0 507.681 6.421 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000409337572 1072494608 /nfs/dbraw/zinc/49/46/08/1072494608.db2.gz ZEMPCSJOJPYFPP-UHFFFAOYSA-N -1 0 507.388 5.099 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cc(OC)ccc4OC)c(OC)c3)SC2=N)s1 ZINC000409337343 1072495094 /nfs/dbraw/zinc/49/50/94/1072495094.db2.gz UDDJCNZTXGNERD-PAWBPZTRSA-N -1 0 511.625 5.123 40 30 KKEBRM Cc1ccc(-c2oc(/N=C/c3cc(Br)c([O-])c(Br)c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409352974 1072524221 /nfs/dbraw/zinc/52/42/21/1072524221.db2.gz FSTOGULHBQXCOI-AMVVHIIESA-N -1 0 550.250 8.083 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409141061 1072555879 /nfs/dbraw/zinc/55/58/79/1072555879.db2.gz TYWFJOQPHYFEII-PCLIKHOPSA-N -1 0 605.087 6.116 40 30 KKEBRM COc1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc(Br)c1[O-] ZINC000409365762 1072578176 /nfs/dbraw/zinc/57/81/76/1072578176.db2.gz OMHUQDMPUUDHAL-FJEPWZHXSA-N -1 0 501.380 7.329 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000409375510 1072623604 /nfs/dbraw/zinc/62/36/04/1072623604.db2.gz LTYPUVQXOAWBSQ-PCLIKHOPSA-N -1 0 638.527 6.001 40 30 KKEBRM N#Cc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409376111 1072623681 /nfs/dbraw/zinc/62/36/81/1072623681.db2.gz UOVTUAFSUUJGEK-SFTDATJTSA-N -1 0 594.420 5.070 40 30 KKEBRM Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000409374149 1072639299 /nfs/dbraw/zinc/63/92/99/1072639299.db2.gz ZEUIVXFPNXDFTI-VBGBYYPASA-N -1 0 515.610 6.237 40 30 KKEBRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000409372188 1072647070 /nfs/dbraw/zinc/64/70/70/1072647070.db2.gz YFLBEWARSVDJHR-WOJBJXKFSA-N -1 0 637.407 6.217 40 30 KKEBRM N#Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000409384119 1072681071 /nfs/dbraw/zinc/68/10/71/1072681071.db2.gz BFKMVGLDEIQIOT-LEWJYISDSA-N -1 0 594.420 5.070 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)SC2=Nc2ccccc2)cc1 ZINC000409385253 1072694015 /nfs/dbraw/zinc/69/40/15/1072694015.db2.gz GXCYFWHFQRHXBZ-RJPGGIPPSA-N -1 0 636.524 5.189 40 30 KKEBRM Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385021 1072696238 /nfs/dbraw/zinc/69/62/38/1072696238.db2.gz HSMKILOIFUUYTJ-MSXFZWOLSA-N -1 0 504.393 6.088 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384827 1072696487 /nfs/dbraw/zinc/69/64/87/1072696487.db2.gz DWJAPVHISGFWHK-VXJNFRJDSA-N -1 0 534.590 5.348 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)SC2=Nc2ccccc2)cc1 ZINC000409384606 1072698426 /nfs/dbraw/zinc/69/84/26/1072698426.db2.gz DTIJKKHYXKUCQB-TUHVTVIQSA-N -1 0 597.762 7.545 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409175199 1072717884 /nfs/dbraw/zinc/71/78/84/1072717884.db2.gz XIQBNEGSSUHRLL-SSDVNMTOSA-N -1 0 628.298 6.597 40 30 KKEBRM Cc1cc(/C=N\c2ccc(I)c(C)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409388005 1072739855 /nfs/dbraw/zinc/73/98/55/1072739855.db2.gz ZQNGFDDFEOOHQW-ROTLSHHCSA-N -1 0 518.420 6.396 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000409407260 1072754429 /nfs/dbraw/zinc/75/44/29/1072754429.db2.gz SWTHGQGBDQEYLR-UHFFFAOYSA-N -1 0 554.946 5.785 40 30 KKEBRM O=C([O-])c1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1Cl ZINC000409186926 1072761156 /nfs/dbraw/zinc/76/11/56/1072761156.db2.gz JRDZJPGNTSAJSL-OPEKNORGSA-N -1 0 523.608 6.893 40 30 KKEBRM COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186927 1072761316 /nfs/dbraw/zinc/76/13/16/1072761316.db2.gz JRKQDZSWGKAGON-OQKYFPFPSA-N -1 0 550.636 6.777 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409405741 1072761453 /nfs/dbraw/zinc/76/14/53/1072761453.db2.gz PCEAPBZWHUFAAJ-HNNXBMFYSA-N -1 0 570.827 5.612 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Br)cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409405769 1072761696 /nfs/dbraw/zinc/76/16/96/1072761696.db2.gz VGLPMCGCMGPTFA-UHFFFAOYSA-N -1 0 554.400 5.985 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409405786 1072761780 /nfs/dbraw/zinc/76/17/80/1072761780.db2.gz VKRSUNSLFKOFCO-UHFFFAOYSA-N -1 0 584.426 5.994 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409405361 1072762089 /nfs/dbraw/zinc/76/20/89/1072762089.db2.gz UEQBRHARKQMPTI-UHFFFAOYSA-N -1 0 559.622 6.350 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409404437 1072766983 /nfs/dbraw/zinc/76/69/83/1072766983.db2.gz LKLLNOBAENTRSM-UHFFFAOYSA-N -1 0 520.501 5.131 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000409402856 1072774544 /nfs/dbraw/zinc/77/45/44/1072774544.db2.gz GIUUZKXTYNADQM-UHFFFAOYSA-N -1 0 554.946 5.785 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409402132 1072778445 /nfs/dbraw/zinc/77/84/45/1072778445.db2.gz GNLKZPRGOLLZMF-UHFFFAOYSA-N -1 0 505.530 5.232 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)cc1 ZINC000409401150 1072782038 /nfs/dbraw/zinc/78/20/38/1072782038.db2.gz CHTVIOJTYYYESE-UHFFFAOYSA-N -1 0 633.296 6.748 40 30 KKEBRM CCOc1ccc(-n2c(SCC(=O)N=C3C=CC(=S(=O)([O-])N4CCCCCC4)C=C3)nnc2-c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000409416080 1072784859 /nfs/dbraw/zinc/78/48/59/1072784859.db2.gz JZTUNAKLHWOIRA-UHFFFAOYSA-N -1 0 727.938 6.948 40 30 KKEBRM CC1CCN(S(=O)([O-])=C2C=CC(=NC(=O)CSc3ncnc4scc(-c5ccccc5)c43)C=C2)CC1 ZINC000409415973 1072785423 /nfs/dbraw/zinc/78/54/23/1072785423.db2.gz CORYBSHGYLTAJC-UHFFFAOYSA-N -1 0 538.720 5.121 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000409408970 1072813713 /nfs/dbraw/zinc/81/37/13/1072813713.db2.gz ZYPFYPDHAHWIPM-UHFFFAOYSA-N -1 0 554.946 5.785 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409193654 1072849931 /nfs/dbraw/zinc/84/99/31/1072849931.db2.gz KIJWRLBRGKIYKO-MTDXEUNCSA-N -1 0 633.141 6.896 40 30 KKEBRM CC(=O)O[C@H]1CC[C@H](C)[C@@H]2[C@@H]1C=C(C)[C@H]1C(C)=CCCC(C)=C[C@]3(C)C=C(C)[C@H](C)C[C@]34OC(=O)C(=C4[O-])C(=O)[C@]12C ZINC001529050386 1072924004 /nfs/dbraw/zinc/92/40/04/1072924004.db2.gz UZJGZPDDMTVQTD-DWSHCMQWSA-N -1 0 576.774 7.518 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531095967 1072927629 /nfs/dbraw/zinc/92/76/29/1072927629.db2.gz QZNVIJXRZXCMQB-AQLQTECXSA-N -1 0 643.332 6.387 40 30 KKEBRM COc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409198861 1072927992 /nfs/dbraw/zinc/92/79/92/1072927992.db2.gz AAQHUMVOWFJXIA-BRJLIKDPSA-N -1 0 519.189 6.248 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC001531099699 1072929061 /nfs/dbraw/zinc/92/90/61/1072929061.db2.gz XZEHDVJPLCRDFO-FZPRHHONSA-N -1 0 584.470 6.769 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531101636 1072930030 /nfs/dbraw/zinc/93/00/30/1072930030.db2.gz TZJUVYKWEWMYBA-AAPHRLRXSA-N -1 0 647.751 7.032 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@H](C)C(=O)[O-] ZINC001531104915 1072930478 /nfs/dbraw/zinc/93/04/78/1072930478.db2.gz JCCYTHQKSWFRMR-OXDZLNHXSA-N -1 0 642.288 5.194 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)o1 ZINC001531117186 1072935513 /nfs/dbraw/zinc/93/55/13/1072935513.db2.gz BMSGWKZMIRQLHZ-WKIKZPBSSA-N -1 0 508.372 5.605 40 30 KKEBRM C[C@H](Oc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-] ZINC001531131598 1072939831 /nfs/dbraw/zinc/93/98/31/1072939831.db2.gz NUGLITNQXNXIAR-WQBBPGTOSA-N -1 0 630.131 5.716 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531173878 1072954393 /nfs/dbraw/zinc/95/43/93/1072954393.db2.gz CEGNOOSADZFYBM-ACXHZZMFSA-N -1 0 578.463 6.015 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531173900 1072954519 /nfs/dbraw/zinc/95/45/19/1072954519.db2.gz IUACUZNAVAMJKU-CPDSRJINSA-N -1 0 660.306 6.221 40 30 KKEBRM C[C@@H](Oc1ccc2ccccc2c1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-] ZINC001531224053 1072973167 /nfs/dbraw/zinc/97/31/67/1072973167.db2.gz QHOJUFDZXHQZTO-JFWRLORLSA-N -1 0 522.399 5.344 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(Br)cc(Br)c([O-])c1Br ZINC001531231697 1072983951 /nfs/dbraw/zinc/98/39/51/1072983951.db2.gz RIZANLMQOZDGGY-PGGKNCGUSA-N -1 0 636.964 6.377 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409223879 1072986334 /nfs/dbraw/zinc/98/63/34/1072986334.db2.gz GJNHEWZUNDGHKX-GQINGBAWSA-N -1 0 513.772 5.329 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC001531238902 1072995377 /nfs/dbraw/zinc/99/53/77/1072995377.db2.gz ZIJCARDEPSHBLN-SUZBBLJPSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)[O-])c(Cl)c1Br ZINC001531245051 1073000778 /nfs/dbraw/zinc/00/07/78/1073000778.db2.gz NCCKJZPQAPOUNL-LUOAPIJWSA-N -1 0 615.706 5.662 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC001531245206 1073002630 /nfs/dbraw/zinc/00/26/30/1073002630.db2.gz VHGXLERTXIRHLM-LYIFJOSZSA-N -1 0 521.415 5.660 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC001531255690 1073010572 /nfs/dbraw/zinc/01/05/72/1073010572.db2.gz GPXRJMWYHZUPLT-DZBQQWFISA-N -1 0 660.157 5.769 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531255941 1073012764 /nfs/dbraw/zinc/01/27/64/1073012764.db2.gz VQXQWDCUAIAKPO-CCVNUDIWSA-N -1 0 565.380 5.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC001531268477 1073026515 /nfs/dbraw/zinc/02/65/15/1073026515.db2.gz DTIAZKNGORFANG-BUGPSZFBSA-N -1 0 585.680 5.652 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001531268820 1073029721 /nfs/dbraw/zinc/02/97/21/1073029721.db2.gz DEKMIKRIJBALAZ-DXRBVMPTSA-N -1 0 534.410 5.832 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531269602 1073032207 /nfs/dbraw/zinc/03/22/07/1073032207.db2.gz ACZNBJIWZJYRRX-ZJIVOUCISA-N -1 0 579.407 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531275204 1073035837 /nfs/dbraw/zinc/03/58/37/1073035837.db2.gz FQWIBHRBKCTLNO-BNWUJJENSA-N -1 0 613.852 6.394 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531275601 1073038155 /nfs/dbraw/zinc/03/81/55/1073038155.db2.gz RTLVZHMQAQVREP-XAZZYMPDSA-N -1 0 647.751 7.077 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531277976 1073043823 /nfs/dbraw/zinc/04/38/23/1073043823.db2.gz NDUNQOJSTGGWDB-ZJIVOUCISA-N -1 0 579.407 5.740 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531282067 1073046302 /nfs/dbraw/zinc/04/63/02/1073046302.db2.gz IGFGSTHQJAKGOW-AMVVHIIESA-N -1 0 613.852 6.223 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2cccc(C(=O)[O-])c2C)o1 ZINC001531282393 1073047627 /nfs/dbraw/zinc/04/76/27/1073047627.db2.gz SLCLDGNJHAYNPB-HWDKICEFSA-N -1 0 508.372 5.821 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409234792 1073048376 /nfs/dbraw/zinc/04/83/76/1073048376.db2.gz YFHIPUBDPVLJEC-WGOQTCKBSA-N -1 0 567.070 6.030 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531283171 1073049002 /nfs/dbraw/zinc/04/90/02/1073049002.db2.gz GPCVSMCCERUQEN-JNKHFKFZSA-N -1 0 786.202 7.041 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001531285133 1073052060 /nfs/dbraw/zinc/05/20/60/1073052060.db2.gz FVARARQGHWSVED-RPPGKUMJSA-N -1 0 514.763 5.605 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531291055 1073058532 /nfs/dbraw/zinc/05/85/32/1073058532.db2.gz BMZXOXHKJMMXRQ-UBGHKXEESA-N -1 0 594.462 5.849 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC001531292513 1073064095 /nfs/dbraw/zinc/06/40/95/1073064095.db2.gz PVYMUWRZTHVMOC-UZGQRAPBSA-N -1 0 581.261 5.178 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@H](C)C(=O)[O-] ZINC001531292553 1073064315 /nfs/dbraw/zinc/06/43/15/1073064315.db2.gz UMZAWNYEBLXEJU-ZXWLHBBBSA-N -1 0 551.235 5.169 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC001531296607 1073067012 /nfs/dbraw/zinc/06/70/12/1073067012.db2.gz MGGGVPOPIGJSIB-TVKIPXGJSA-N -1 0 660.157 5.940 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531296725 1073067153 /nfs/dbraw/zinc/06/71/53/1073067153.db2.gz PGNHSDQNCKBUEL-KBVAKVRCSA-N -1 0 578.463 6.060 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531303137 1073076015 /nfs/dbraw/zinc/07/60/15/1073076015.db2.gz DCGDOXQVNRVPSP-FJEPWZHXSA-N -1 0 613.306 6.424 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001531309846 1073084726 /nfs/dbraw/zinc/08/47/26/1073084726.db2.gz IOXAZGOHKGOMGX-FJEPWZHXSA-N -1 0 568.855 6.314 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001531310459 1073088310 /nfs/dbraw/zinc/08/83/10/1073088310.db2.gz WJOWDGFIGFTFEX-IVWJEFBKSA-N -1 0 527.202 5.152 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC001531317759 1073092724 /nfs/dbraw/zinc/09/27/24/1073092724.db2.gz ROTPUROYLRFNNZ-ZFQVWYPFSA-N -1 0 704.359 6.835 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531325366 1073099888 /nfs/dbraw/zinc/09/98/88/1073099888.db2.gz OPWPHDUOYPMZHB-DZBQQWFISA-N -1 0 615.706 5.660 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OCC)c1 ZINC001531326633 1073106102 /nfs/dbraw/zinc/10/61/02/1073106102.db2.gz NFWDDTLBYPWEQV-ZKJHFGPLSA-N -1 0 550.837 5.288 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531329212 1073111721 /nfs/dbraw/zinc/11/17/21/1073111721.db2.gz NKPZFKZFUZZJDN-KPGMTVGESA-N -1 0 612.908 6.713 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@H](C)C(=O)[O-] ZINC001531337304 1073122612 /nfs/dbraw/zinc/12/26/12/1073122612.db2.gz WMYPGSDZNGMBAG-PTFKFJSFSA-N -1 0 506.784 5.060 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1[O-] ZINC001531337340 1073123205 /nfs/dbraw/zinc/12/32/05/1073123205.db2.gz ZTXSUMYDRJBQDW-AUEPDCJTSA-N -1 0 513.617 5.505 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409237744 1073125873 /nfs/dbraw/zinc/12/58/73/1073125873.db2.gz LKXLFUOHNSAQNA-WSDLNYQXSA-N -1 0 543.428 6.479 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC001531340492 1073127613 /nfs/dbraw/zinc/12/76/13/1073127613.db2.gz DADHXGUAXLYWGT-MQOBIWFWSA-N -1 0 595.288 5.568 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC001531340627 1073128685 /nfs/dbraw/zinc/12/86/85/1073128685.db2.gz LZAQFLZBYWTRJH-UVFOXEMKSA-N -1 0 677.777 7.256 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531340903 1073129815 /nfs/dbraw/zinc/12/98/15/1073129815.db2.gz SZUBURLDDJWEPA-DPNNOFEESA-N -1 0 604.501 6.398 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC001531342812 1073132638 /nfs/dbraw/zinc/13/26/38/1073132638.db2.gz OMSKDQMRWXHLOP-IJWZPVHRSA-N -1 0 581.261 5.178 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409250002 1073139774 /nfs/dbraw/zinc/13/97/74/1073139774.db2.gz VSFZYLAWDJTFRE-WLZRAQTASA-N -1 0 646.357 7.121 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531382681 1073145935 /nfs/dbraw/zinc/14/59/35/1073145935.db2.gz GCGSZQZUYUAAJL-VTNSRFBWSA-N -1 0 584.426 5.994 40 30 KKEBRM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000409248744 1073146164 /nfs/dbraw/zinc/14/61/64/1073146164.db2.gz IJKKYEOCTWKFJF-PNBCJKOFSA-N -1 0 532.625 6.504 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531382845 1073147835 /nfs/dbraw/zinc/14/78/35/1073147835.db2.gz OZCRJXJOCUHOPC-DPNNOFEESA-N -1 0 598.453 6.384 40 30 KKEBRM O=C([O-])c1cccc(COc2c(I)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2I)c1 ZINC001531383933 1073155304 /nfs/dbraw/zinc/15/53/04/1073155304.db2.gz SMOGWSUDTFMGTE-KPGMTVGESA-N -1 0 727.296 6.432 40 30 KKEBRM O=C([O-])c1ccc(COc2c(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cccc2[N+](=O)[O-])cc1 ZINC001531384006 1073155674 /nfs/dbraw/zinc/15/56/74/1073155674.db2.gz CYVIFTAPKWLZQC-OCSSWDANSA-N -1 0 520.501 5.131 40 30 KKEBRM O=C([O-])c1cccc(COc2c(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cccc2[N+](=O)[O-])c1 ZINC001531384098 1073156416 /nfs/dbraw/zinc/15/64/16/1073156416.db2.gz DQFBWQWWZWTKRO-OCSSWDANSA-N -1 0 520.501 5.131 40 30 KKEBRM O=C([O-])c1ccc(COc2c(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001531384318 1073158916 /nfs/dbraw/zinc/15/89/16/1073158916.db2.gz GIUUZKXTYNADQM-WCMJOSRZSA-N -1 0 554.946 5.785 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531384823 1073162026 /nfs/dbraw/zinc/16/20/26/1073162026.db2.gz LZCAVOKBMUJYGN-KBVAKVRCSA-N -1 0 550.527 5.140 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531385023 1073164490 /nfs/dbraw/zinc/16/44/90/1073164490.db2.gz RKJRVABAOGHWPL-KCSSXMTESA-N -1 0 535.556 5.240 40 30 KKEBRM O=C([O-])c1cccc(COc2c(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC001531385115 1073164767 /nfs/dbraw/zinc/16/47/67/1073164767.db2.gz SWTHGQGBDQEYLR-WCMJOSRZSA-N -1 0 554.946 5.785 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)cc(Br)c2OCC(=O)[O-])S/C1=N/c1ccc(OC)cc1 ZINC000409255193 1073168175 /nfs/dbraw/zinc/16/81/75/1073168175.db2.gz YHSMGHLOPXPBSX-KIBZMATPSA-N -1 0 617.259 5.150 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001531385613 1073168678 /nfs/dbraw/zinc/16/86/78/1073168678.db2.gz ZEPFDQDKRYBMDD-WCMJOSRZSA-N -1 0 554.946 5.785 40 30 KKEBRM C=C(C)/C=C/C[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@](C)(CCC(=O)[O-])[C@H](C(=C)C)CC[C@]12C ZINC001534688752 1073172999 /nfs/dbraw/zinc/17/29/99/1073172999.db2.gz KISITYOUWLWLNJ-KIBITENKSA-N -1 0 618.852 5.388 40 30 KKEBRM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139076 1073184143 /nfs/dbraw/zinc/18/41/43/1073184143.db2.gz DKBSTBSSKJPASL-ODDURFKXSA-N -1 0 719.216 5.912 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(Br)cc(Br)c([O-])c3Br)cc21 ZINC000409275848 1073296821 /nfs/dbraw/zinc/29/68/21/1073296821.db2.gz LYDVTQNOVJGWTI-UHFFFAOYSA-N -1 0 648.105 6.694 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c3)cc21 ZINC000409274944 1073304818 /nfs/dbraw/zinc/30/48/18/1073304818.db2.gz GWYRGDGMHSWWCG-AWEZNQCLSA-N -1 0 735.272 5.762 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409274278 1073312002 /nfs/dbraw/zinc/31/20/02/1073312002.db2.gz CLVGWUKNKAAUFH-UHFFFAOYSA-N -1 0 609.433 5.520 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409277292 1073322762 /nfs/dbraw/zinc/32/27/62/1073322762.db2.gz AMPKGGZAFQBYSG-UHFFFAOYSA-N -1 0 565.380 5.350 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409276954 1073325244 /nfs/dbraw/zinc/32/52/44/1073325244.db2.gz ABADWQMUXASFCP-UHFFFAOYSA-N -1 0 643.332 6.603 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409276792 1073326682 /nfs/dbraw/zinc/32/66/82/1073326682.db2.gz WMUUNMSZPLYZHK-UHFFFAOYSA-N -1 0 550.409 5.280 40 30 KKEBRM C[C@@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1I)C(=O)[O-] ZINC000409287254 1073336861 /nfs/dbraw/zinc/33/68/61/1073336861.db2.gz STWRHYCXDFRHAI-CYBMUJFWSA-N -1 0 733.222 6.026 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409286942 1073342642 /nfs/dbraw/zinc/34/26/42/1073342642.db2.gz RLXLTIITEGEJIB-UHFFFAOYSA-N -1 0 603.553 6.259 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409286762 1073343781 /nfs/dbraw/zinc/34/37/81/1073343781.db2.gz ZPGKXTUJDBOPJJ-CQSZACIVSA-N -1 0 532.896 5.105 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1O[C@H](C)C(=O)[O-] ZINC000409286805 1073344200 /nfs/dbraw/zinc/34/42/00/1073344200.db2.gz QUCOULXXYKDRIY-CQSZACIVSA-N -1 0 545.901 5.478 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)cc1C(C)C ZINC000409286233 1073347735 /nfs/dbraw/zinc/34/77/35/1073347735.db2.gz YIZRYMZNOBUIRM-UHFFFAOYSA-N -1 0 561.638 6.663 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409286267 1073348159 /nfs/dbraw/zinc/34/81/59/1073348159.db2.gz ZRTQFXLQOAMTPO-GOSISDBHSA-N -1 0 626.935 7.044 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409285661 1073353960 /nfs/dbraw/zinc/35/39/60/1073353960.db2.gz WPNMEIQNBFGWGR-UHFFFAOYSA-N -1 0 559.619 5.257 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409285543 1073355666 /nfs/dbraw/zinc/35/56/66/1073355666.db2.gz XMZRCNDEEYHJHU-UHFFFAOYSA-N -1 0 587.035 7.355 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409285377 1073356963 /nfs/dbraw/zinc/35/69/63/1073356963.db2.gz VWGLCLAGZDUTFR-UHFFFAOYSA-N -1 0 614.441 7.285 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409285224 1073358273 /nfs/dbraw/zinc/35/82/73/1073358273.db2.gz VSOACSLOUJOFKH-UHFFFAOYSA-N -1 0 606.635 6.572 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409285058 1073360201 /nfs/dbraw/zinc/36/02/01/1073360201.db2.gz SNZCEIAPUPOCEI-UHFFFAOYSA-N -1 0 670.560 7.434 40 30 KKEBRM C[C@@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000409285120 1073360961 /nfs/dbraw/zinc/36/09/61/1073360961.db2.gz MVUQJVITIXUTQP-GOSISDBHSA-N -1 0 503.514 5.697 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(I)c3)cc21 ZINC000409284922 1073361895 /nfs/dbraw/zinc/36/18/95/1073361895.db2.gz UUUYCUQXNNZDAY-UHFFFAOYSA-N -1 0 671.447 6.582 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409284788 1073363427 /nfs/dbraw/zinc/36/34/27/1073363427.db2.gz VFZBPJWFNZCUJJ-UHFFFAOYSA-N -1 0 536.975 6.451 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409284639 1073365139 /nfs/dbraw/zinc/36/51/39/1073365139.db2.gz UFTNBQVSFSDOLO-AWEZNQCLSA-N -1 0 545.901 5.478 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Cl ZINC000409284335 1073367650 /nfs/dbraw/zinc/36/76/50/1073367650.db2.gz UBVJLBKLIXGOIW-UHFFFAOYSA-N -1 0 552.768 5.571 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2[N+](=O)[O-])c1 ZINC000409284102 1073372106 /nfs/dbraw/zinc/37/21/06/1073372106.db2.gz SIEHDJDMLDAIKK-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409283635 1073376354 /nfs/dbraw/zinc/37/63/54/1073376354.db2.gz JWAGVZNSZAIVMJ-UHFFFAOYSA-N -1 0 643.332 6.387 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409283730 1073377164 /nfs/dbraw/zinc/37/71/64/1073377164.db2.gz PSVJAVLWQXKQLD-UHFFFAOYSA-N -1 0 652.423 7.013 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC000409283552 1073378351 /nfs/dbraw/zinc/37/83/51/1073378351.db2.gz RVFSEUJJXRHEOF-UHFFFAOYSA-N -1 0 694.174 6.414 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409282732 1073385856 /nfs/dbraw/zinc/38/58/56/1073385856.db2.gz QGNRVEYJHPHKNS-GOSISDBHSA-N -1 0 544.564 5.146 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409282734 1073385908 /nfs/dbraw/zinc/38/59/08/1073385908.db2.gz QGNRVEYJHPHKNS-SFHVURJKSA-N -1 0 544.564 5.146 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)ccc3O[C@@H](C)C(=O)[O-])cc21 ZINC000409282297 1073391101 /nfs/dbraw/zinc/39/11/01/1073391101.db2.gz NCEFMHLBIYFWAU-HNNXBMFYSA-N -1 0 562.376 5.315 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409282349 1073391772 /nfs/dbraw/zinc/39/17/72/1073391772.db2.gz NLADBJMVZGTAJD-UHFFFAOYSA-N -1 0 573.527 6.250 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409282161 1073392691 /nfs/dbraw/zinc/39/26/91/1073392691.db2.gz NYWGSGJMPCWEKH-UHFFFAOYSA-N -1 0 713.450 7.245 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409281708 1073397415 /nfs/dbraw/zinc/39/74/15/1073397415.db2.gz LMGDJPFHAJYGDK-GOSISDBHSA-N -1 0 544.564 5.146 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409281676 1073401050 /nfs/dbraw/zinc/40/10/50/1073401050.db2.gz LIZHSSDGHGZEEF-MRXNPFEDSA-N -1 0 606.429 5.714 40 30 KKEBRM CC(C)=CCC[C@]1(C)C[C@@H](O)c2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)[O-])C4=O)C3=O ZINC000252479718 291539071 /nfs/dbraw/zinc/53/90/71/291539071.db2.gz BLDWFKHVHHINGR-IXGBUTHHSA-N -1 0 646.777 6.650 40 30 biogenic,in-vitro KKEBRM CCn1c(S/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634966 195482686 /nfs/dbraw/zinc/48/26/86/195482686.db2.gz VWSLZMGDXIQKKN-OYKKKHCWSA-N -1 0 672.932 6.900 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408850463 195488095 /nfs/dbraw/zinc/48/80/95/195488095.db2.gz NXIUVRLYBTZFAO-HZHRSRAPSA-N -1 0 652.397 8.048 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409231562 195507499 /nfs/dbraw/zinc/50/74/99/195507499.db2.gz JWWNSKCRQGQMGD-CSBWODFHSA-N -1 0 567.461 6.359 40 30 KKEBRM CCOC(=O)c1c2c(sc1/N=C/c1cc(Br)c([O-])c(Br)c1O)CCCC2 ZINC000000690246 551527348 /nfs/dbraw/zinc/52/73/48/551527348.db2.gz PKJIWSJIPHXNDV-ODCIPOBUSA-N -1 0 503.212 5.490 40 30 KKEBRM C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000001455138 551676664 /nfs/dbraw/zinc/67/66/64/551676664.db2.gz VDUIMSYELFBSAE-UHFFFAOYSA-O -1 0 513.068 5.493 40 30 KKEBRM N#Cc1nc(C=C([O-])c2ccc(Cl)cc2Cl)c(CC(=O)c2ccc(Cl)cc2Cl)nc1C#N ZINC000001588976 551685555 /nfs/dbraw/zinc/68/55/55/551685555.db2.gz JOAZDGFIJLMFLI-UHFFFAOYSA-N -1 0 504.160 5.684 40 30 KKEBRM CC(C)(C)c1cc(/C=N/c2cc(Cl)c(Cl)cc2[N-]S(=O)(=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000001717321 551690560 /nfs/dbraw/zinc/69/05/60/551690560.db2.gz IHHMTKRALKGTIL-OKCVXOCRSA-N -1 0 533.521 7.845 40 30 KKEBRM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000001882787 551724615 /nfs/dbraw/zinc/72/46/15/551724615.db2.gz UTBSQRPULAAQPM-YSURURNPSA-N -1 0 553.581 6.972 40 30 KKEBRM CCc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5cc(Cl)ccc5Cl)cc4)ccc3[O-])nc2c1 ZINC000003032380 552268098 /nfs/dbraw/zinc/26/80/98/552268098.db2.gz IRJZDGDMJQLTLV-KPGMTVGESA-N -1 0 531.395 8.039 40 30 KKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1[O-] ZINC000003068530 552285011 /nfs/dbraw/zinc/28/50/11/552285011.db2.gz BSWWGLPSWSPNQP-WYMPLXKRSA-N -1 0 529.290 5.863 40 30 KKEBRM O=[N+]([O-])C(N=Nc1ccc2ccccc2c1Br)=N[N-]c1ccc2ccccc2c1Br ZINC000005081352 552493207 /nfs/dbraw/zinc/49/32/07/552493207.db2.gz GJLRXYHFORZDMP-JIFSVQRTSA-N -1 0 527.176 7.262 40 30 KKEBRM O=C(Nc1ccc(/N=C/c2cc(I)cc(I)c2[O-])cc1)c1cccc(Cl)c1 ZINC000008448757 553056556 /nfs/dbraw/zinc/05/65/56/553056556.db2.gz RYHPLYVDUATQPB-BHGWPJFGSA-N -1 0 602.597 6.258 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)Nc1ccccc1F ZINC000015162556 553528479 /nfs/dbraw/zinc/52/84/79/553528479.db2.gz PTCRYEAVGMZKNG-NSKAYECMSA-N -1 0 506.411 6.929 40 30 KKEBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000016268271 553557996 /nfs/dbraw/zinc/55/79/96/553557996.db2.gz VRGGZEBHGMFYOJ-HAHDFKILSA-N -1 0 526.662 5.870 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1[O-] ZINC000016450165 553565375 /nfs/dbraw/zinc/56/53/75/553565375.db2.gz WSSHHYHOZABFTD-FJEPWZHXSA-N -1 0 501.901 7.243 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697878 553613361 /nfs/dbraw/zinc/61/33/61/553613361.db2.gz ASDBHPOHBLHBDB-FNBLPEDMSA-N -1 0 520.670 5.469 40 30 KKEBRM C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000020228360 553616397 /nfs/dbraw/zinc/61/63/97/553616397.db2.gz BGUVVLVKTUCQKP-OQLLNIDSSA-N -1 0 507.793 5.348 40 30 KKEBRM O=C([O-])C[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000020076989 553676660 /nfs/dbraw/zinc/67/66/60/553676660.db2.gz GDYRNNJTXZQUSG-YADARESESA-N -1 0 510.373 5.830 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccc(Oc4ccccc4)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000084603560 553677721 /nfs/dbraw/zinc/67/77/21/553677721.db2.gz HYNMMCAQHPZHCX-VFHDLGNDSA-N -1 0 536.609 6.990 40 30 KKEBRM CC[C@@H](C)[C@H](NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000085902458 553691369 /nfs/dbraw/zinc/69/13/69/553691369.db2.gz PLKXUFTWZZOUBY-BSJBODLZSA-N -1 0 500.680 5.143 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000085907090 553691663 /nfs/dbraw/zinc/69/16/63/553691663.db2.gz ASDBHPOHBLHBDB-ZOYFAIEASA-N -1 0 520.670 5.469 40 30 KKEBRM O=C(/C=C\c1ccc(OC(=O)c2ccccc2)cc1)c1c([O-])cc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 ZINC000097976247 553968919 /nfs/dbraw/zinc/96/89/19/553968919.db2.gz AZKRWNARJSVRQM-UZYVYHOESA-N -1 0 584.580 6.946 40 30 KKEBRM CC(C)CCN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c2ccccc21 ZINC000097980704 553990711 /nfs/dbraw/zinc/99/07/11/553990711.db2.gz ZNRBSVIIEKGTBK-ZZIIXHQDSA-N -1 0 542.017 5.258 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097980938 553991241 /nfs/dbraw/zinc/99/12/41/553991241.db2.gz YIEGJYDYBDQCDK-WPWMEQJKSA-N -1 0 529.276 5.658 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NN=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000097982631 554004025 /nfs/dbraw/zinc/00/40/25/554004025.db2.gz LMZVQLXSZBVKPZ-AJBULDERSA-N -1 0 551.934 5.748 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2c(-c3ccccc3)nc3sccn23)cc1 ZINC000097984021 554013622 /nfs/dbraw/zinc/01/36/22/554013622.db2.gz VXSVPBOEAKNILB-WGOQTCKBSA-N -1 0 548.606 5.226 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OC ZINC000035657197 554062297 /nfs/dbraw/zinc/06/22/97/554062297.db2.gz HTEJMPGLZGEUEL-PUCVJYRNSA-N -1 0 505.390 5.179 40 30 KKEBRM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000100027903 554183863 /nfs/dbraw/zinc/18/38/63/554183863.db2.gz SLBXSSLDALVCAK-YSURURNPSA-N -1 0 553.581 6.972 40 30 KKEBRM COc1ccc(Nc2nc(N=NCc3ccc(-c4cccc(C(=O)[O-])c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000100033405 554187365 /nfs/dbraw/zinc/18/73/65/554187365.db2.gz NGCIOPOJCWACLV-MWLSYYOVSA-N -1 0 566.534 5.680 40 30 KKEBRM Cc1cc(/C(c2cccc(S(=O)(=O)[O-])c2)=C2/C=C(C)C(=O)C(Br)=C2)cc(Br)c1O ZINC000100072082 554202212 /nfs/dbraw/zinc/20/22/12/554202212.db2.gz PDDWZLFEZZCVQL-CYVLTUHYSA-N -1 0 540.229 5.320 40 30 KKEBRM Cc1ccc(N=Nc2c(=O)n(-c3nc(C(C)(C)C)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000100100812 554219921 /nfs/dbraw/zinc/21/99/21/554219921.db2.gz FFTGBCIBGVHXRS-NHFJDJAPSA-N -1 0 541.431 5.639 40 30 KKEBRM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc(C(F)(F)F)c4)c3=O)n2)cc1 ZINC000100135654 554226727 /nfs/dbraw/zinc/22/67/27/554226727.db2.gz YWBSQZVHGIMFDY-AWSUPERCSA-N -1 0 505.525 6.356 40 30 KKEBRM CCCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N/[O-] ZINC000100167149 554237419 /nfs/dbraw/zinc/23/74/19/554237419.db2.gz ZANDTFJGFAKDBJ-YCNYHXFESA-N -1 0 553.656 8.348 40 30 KKEBRM COc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1Cc1ccc2ccccc2c1 ZINC000038151240 554271751 /nfs/dbraw/zinc/27/17/51/554271751.db2.gz ODTKFNUPVBULRJ-QINSGFPZSA-N -1 0 536.447 6.560 40 30 KKEBRM O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c(Cl)c1 ZINC000038162566 554273563 /nfs/dbraw/zinc/27/35/63/554273563.db2.gz ORWSIZOELMJWCS-OKCVXOCRSA-N -1 0 511.921 6.096 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000038180042 554273919 /nfs/dbraw/zinc/27/39/19/554273919.db2.gz HOAKWJOBGYLKFL-YDJQKXNPSA-N -1 0 505.574 7.964 40 30 KKEBRM Cc1cc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000100299790 554290256 /nfs/dbraw/zinc/29/02/56/554290256.db2.gz IWRATRQPRCVKMZ-VTNSRFBWSA-N -1 0 539.975 7.602 40 30 KKEBRM CCCCC(=O)Nc1ccc(/N=C/c2cc(I)cc(I)c2[O-])cc1OC ZINC000100300142 554290585 /nfs/dbraw/zinc/29/05/85/554290585.db2.gz ULCRTNUUOYCJMO-SSDVNMTOSA-N -1 0 578.188 5.489 40 30 KKEBRM COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc([O-])c([N+](=O)[O-])c4)cc3s2)c1 ZINC000100331226 554314099 /nfs/dbraw/zinc/31/40/99/554314099.db2.gz HGHCZGZBFFODBI-BRJLIKDPSA-N -1 0 524.580 5.409 40 30 KKEBRM Cc1c(Br)c(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1ccc(Br)cc1 ZINC000059104651 554379625 /nfs/dbraw/zinc/37/96/25/554379625.db2.gz BXPOSUZQIQRLFW-YSURURNPSA-N -1 0 510.613 6.721 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1O ZINC000059104972 554380090 /nfs/dbraw/zinc/38/00/90/554380090.db2.gz SUUVYBTZITYFFX-DHRITJCHSA-N -1 0 512.606 6.104 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059136327 554382278 /nfs/dbraw/zinc/38/22/78/554382278.db2.gz IXIAXZAREQMORN-RCCKNPSSSA-N -1 0 506.986 6.458 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl ZINC000059136325 554382362 /nfs/dbraw/zinc/38/23/62/554382362.db2.gz GMXVYINNZDFLCO-HMMYKYKNSA-N -1 0 506.986 6.458 40 30 KKEBRM C#CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198251 554384696 /nfs/dbraw/zinc/38/46/96/554384696.db2.gz CSOHSYCHFUUVOF-MHWRWJLKSA-N -1 0 503.736 5.020 40 30 KKEBRM O=C([O-])c1cc(/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)ccc1O ZINC000100442245 554393662 /nfs/dbraw/zinc/39/36/62/554393662.db2.gz NJPGPEMYEHWUEV-ZCTHSVRISA-N -1 0 503.514 6.874 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)cc2)cc1 ZINC000059437421 554395823 /nfs/dbraw/zinc/39/58/23/554395823.db2.gz ODINNFOOLPXNGN-HNSNBQBZSA-N -1 0 524.642 6.585 40 30 KKEBRM CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc([O-])c([N+](=O)[O-])c4)cc3s2)cc1 ZINC000059459186 554396294 /nfs/dbraw/zinc/39/62/94/554396294.db2.gz FZZLUUKFEAJTGF-LGJNPRDNSA-N -1 0 506.609 6.515 40 30 KKEBRM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)c1 ZINC000059472557 554396635 /nfs/dbraw/zinc/39/66/35/554396635.db2.gz ZZVQOUKVOGMHMV-WKULSOCRSA-N -1 0 509.612 7.524 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 ZINC000100457442 554396983 /nfs/dbraw/zinc/39/69/83/554396983.db2.gz KWPXSDPQHHYXHJ-OKCVXOCRSA-N -1 0 521.494 8.941 40 30 KKEBRM N#CC(C#N)[C@H](c1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1)c1ccc(Br)cc1 ZINC000100553808 554415825 /nfs/dbraw/zinc/41/58/25/554415825.db2.gz MUBJBPKFIQUDBL-XMMPIXPASA-N -1 0 552.457 6.926 40 30 KKEBRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=NOC(=O)CN6C(=O)CSC6=S)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000059690952 554425154 /nfs/dbraw/zinc/42/51/54/554425154.db2.gz QFDNGNBSMJPXHH-UDVATQAHSA-N -1 0 642.928 7.632 40 30 KKEBRM COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000100902892 554515016 /nfs/dbraw/zinc/51/50/16/554515016.db2.gz SSSFURASUVDKCV-XMMPIXPASA-N -1 0 534.659 6.574 40 30 KKEBRM COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000100902893 554515084 /nfs/dbraw/zinc/51/50/84/554515084.db2.gz SSSFURASUVDKCV-DEOSSOPVSA-N -1 0 534.659 6.574 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938908 554531664 /nfs/dbraw/zinc/53/16/64/554531664.db2.gz YDSZONVYSMIXIB-SILRWXEESA-N -1 0 557.853 6.614 40 30 KKEBRM Cc1ccc(COc2c(Cl)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2Cl)cc1 ZINC000100940480 554532178 /nfs/dbraw/zinc/53/21/78/554532178.db2.gz NZGMAHDZYNPAQE-GXMXPRDMSA-N -1 0 527.429 6.813 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OCC ZINC000101014748 554559043 /nfs/dbraw/zinc/55/90/43/554559043.db2.gz YCLOJXCYBAIITR-XCQFTPQJSA-N -1 0 541.735 6.722 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCCC)C(=O)[O-])C2=O)cc1OC ZINC000101014959 554559349 /nfs/dbraw/zinc/55/93/49/554559349.db2.gz VBBXOKMPIKKMAM-BOSXMPOZSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)cc1OCC ZINC000101015217 554559770 /nfs/dbraw/zinc/55/97/70/554559770.db2.gz DIZLDFCKWGEAMY-MFYJFPICSA-N -1 0 521.745 6.914 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OCC ZINC000101015289 554560052 /nfs/dbraw/zinc/56/00/52/554560052.db2.gz RUOMYQRXMAAJIS-IGUVXGONSA-N -1 0 536.716 5.133 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OCC ZINC000101015290 554560056 /nfs/dbraw/zinc/56/00/56/554560056.db2.gz RUOMYQRXMAAJIS-SZZFLCPMSA-N -1 0 536.716 5.133 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101015297 554560063 /nfs/dbraw/zinc/56/00/63/554560063.db2.gz OIGYEIIICGKMNH-UBYGEMSKSA-N -1 0 541.735 7.626 40 30 KKEBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000101677476 554828127 /nfs/dbraw/zinc/82/81/27/554828127.db2.gz FOOXCUTWJMOKQW-ZVHZXABRSA-N -1 0 553.416 5.607 40 30 KKEBRM N#C[C@@H](C(N)=O)[C@H](c1c(-c2ccccc2)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102134773 554887550 /nfs/dbraw/zinc/88/75/50/554887550.db2.gz PNWGDFJSFHZKND-JRFVFWCSSA-N -1 0 570.472 5.349 40 30 KKEBRM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1ccc2ccccc2c1OC(F)F ZINC000102930946 555158099 /nfs/dbraw/zinc/15/80/99/555158099.db2.gz LAWRSSQDBJUXIC-WKULSOCRSA-N -1 0 560.966 6.640 40 30 KKEBRM CCCCCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000102971126 555181730 /nfs/dbraw/zinc/18/17/30/555181730.db2.gz OQBNHXSHHLEMPM-XHLNEMQHSA-N -1 0 554.669 6.590 40 30 KKEBRM O=[N+]([O-])c1ccc(N=NCc2cc(Br)c([O-])c(Br)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000102982728 555188973 /nfs/dbraw/zinc/18/89/73/555188973.db2.gz FKJGPXWIFSSCQJ-AUEPDCJTSA-N -1 0 604.664 5.726 40 30 KKEBRM CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc(Br)c1O ZINC000102984222 555189860 /nfs/dbraw/zinc/18/98/60/555189860.db2.gz RXJYRBCHVLFRST-WYMPLXKRSA-N -1 0 569.821 5.362 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cccc(OCc2ccccc2)c1 ZINC000102984111 555189917 /nfs/dbraw/zinc/18/99/17/555189917.db2.gz KFOVZGZIIDLLND-MTDXEUNCSA-N -1 0 532.578 5.429 40 30 KKEBRM CCCCCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000103003502 555202138 /nfs/dbraw/zinc/20/21/38/555202138.db2.gz UPLAKSLTKQLUKI-XIEYBQDHSA-N -1 0 508.699 8.864 40 30 KKEBRM CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c([O-])c(Br)c4)cc3s2)cc1 ZINC000103745868 555466108 /nfs/dbraw/zinc/46/61/08/555466108.db2.gz LCHHUEFFFKMEDJ-KVSWJAHQSA-N -1 0 619.404 8.132 40 30 KKEBRM CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3s2)cc1 ZINC000103746169 555466717 /nfs/dbraw/zinc/46/67/17/555466717.db2.gz DSQDXNLISMPTLD-PPFNPFNJSA-N -1 0 589.827 10.416 40 30 KKEBRM O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc(I)c([O-])c([N+](=O)[O-])c1 ZINC000103778849 555476103 /nfs/dbraw/zinc/47/61/03/555476103.db2.gz VNGCJHSUSBEZBH-SDQBBNPISA-N -1 0 536.134 5.103 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000103850627 571364651 /nfs/dbraw/zinc/36/46/51/571364651.db2.gz KKVBTBLURMZGMU-LPYMAVHISA-N -1 0 614.265 6.325 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103850621 571364707 /nfs/dbraw/zinc/36/47/07/571364707.db2.gz VFNKGNHYFXHFFI-SRZZPIQSSA-N -1 0 604.259 6.869 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858541 571366529 /nfs/dbraw/zinc/36/65/29/571366529.db2.gz URRRXXRJJNGRDK-RIYZIHGNSA-N -1 0 540.595 5.096 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000103859483 571367128 /nfs/dbraw/zinc/36/71/28/571367128.db2.gz JQBQSJBXMSOFLP-ZVHZXABRSA-N -1 0 572.415 5.303 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000103859526 571367243 /nfs/dbraw/zinc/36/72/43/571367243.db2.gz JJAYENRVCIDDNM-BUVRLJJBSA-N -1 0 579.422 5.961 40 30 KKEBRM CCCCCCCCCCCCC/C=C\C[C@H](CC(=O)Nc1ccc(-n2c(=O)cc(C)n2C)cc1)C(=O)[O-] ZINC000104110424 571374062 /nfs/dbraw/zinc/37/40/62/571374062.db2.gz LBKWDAMNKQXDKG-VNBGQBMQSA-N -1 0 525.734 7.161 40 30 KKEBRM CCCCCCCCCCCCC/C=C\C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(-c2cc(=O)n(-c3ccccc3)n2C)c1 ZINC000104140616 571374717 /nfs/dbraw/zinc/37/47/17/571374717.db2.gz PVWYJWDOQBNIPB-CCBRRKGASA-N -1 0 587.805 8.520 40 30 KKEBRM CC(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(N=Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000104251130 571377897 /nfs/dbraw/zinc/37/78/97/571377897.db2.gz WQDALKISFBUVFX-YFXXHFQQSA-N -1 0 570.731 8.067 40 30 KKEBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cc(C)cc3c2O[C@]2(C=C3)Oc3ccccc3C(=O)N2C)cc1 ZINC000104487201 571381151 /nfs/dbraw/zinc/38/11/51/571381151.db2.gz OWWOWFFYGUBYPN-AHJJFDFTSA-N -1 0 565.651 6.079 40 30 KKEBRM [O-]c1cc(Br)c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c(Br)c1 ZINC000106000435 571410084 /nfs/dbraw/zinc/41/00/84/571410084.db2.gz QQTDCIFSGZNOGA-BHGWPJFGSA-N -1 0 540.049 6.727 40 30 KKEBRM [O-]c1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)cc(Br)c4O)ccc3o2)cc1Br ZINC000109503606 571429258 /nfs/dbraw/zinc/42/92/58/571429258.db2.gz XPKVFEQVQICOKJ-FJEPWZHXSA-N -1 0 578.260 7.772 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000109546467 571429416 /nfs/dbraw/zinc/42/94/16/571429416.db2.gz MLDPMHVCMHDTSA-PELXQUCJSA-N -1 0 540.019 8.617 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)ccc1Cl ZINC000112254532 571437024 /nfs/dbraw/zinc/43/70/24/571437024.db2.gz IZLAWKHOFXXEDB-FXLKZSPXSA-N -1 0 522.944 5.524 40 30 KKEBRM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918238 571444555 /nfs/dbraw/zinc/44/45/55/571444555.db2.gz DUFLDRKJKWPJLH-FMPFTNNGSA-N -1 0 570.771 5.692 40 30 KKEBRM C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118920462 571445855 /nfs/dbraw/zinc/44/58/55/571445855.db2.gz MGUKBGMXAHYHQC-OLEJIMGBSA-N -1 0 546.708 5.061 40 30 KKEBRM C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000150344378 571459293 /nfs/dbraw/zinc/45/92/93/571459293.db2.gz YWLYGSSMGSIXLN-JZEDTULBSA-N -1 0 670.851 5.120 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150381087 571466948 /nfs/dbraw/zinc/46/69/48/571466948.db2.gz NTQIOEZDBOMVCC-DIENZIEHSA-N -1 0 620.294 6.862 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150380945 571466954 /nfs/dbraw/zinc/46/69/54/571466954.db2.gz NKLLOLXZZDIOAQ-QERWWCMESA-N -1 0 671.194 8.029 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150382452 571467165 /nfs/dbraw/zinc/46/71/65/571467165.db2.gz NUEGLRKAHJLYII-CTMKFROTSA-N -1 0 646.357 7.121 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150382376 571467183 /nfs/dbraw/zinc/46/71/83/571467183.db2.gz JLJOWZWNQVXEAS-LNWFTCIHSA-N -1 0 683.351 7.508 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150382540 571467274 /nfs/dbraw/zinc/46/72/74/571467274.db2.gz OCEXKFXQUMOCFU-HMGGVMEDSA-N -1 0 650.494 6.964 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150382625 571467330 /nfs/dbraw/zinc/46/73/30/571467330.db2.gz ANGQRMKFBDTUNX-DIENZIEHSA-N -1 0 714.294 6.546 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000150383644 571467937 /nfs/dbraw/zinc/46/79/37/571467937.db2.gz YMCYZDNHGSQVDW-VYVUJPJFSA-N -1 0 645.320 8.027 40 30 KKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)nc2c1 ZINC000150397655 571476896 /nfs/dbraw/zinc/47/68/96/571476896.db2.gz KHDZVTLQMGXALC-HWDKICEFSA-N -1 0 622.244 7.674 40 30 KKEBRM O=C(N=C1SC(=S)N(C(=O)c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000150427728 571491701 /nfs/dbraw/zinc/49/17/01/571491701.db2.gz GXOVDFREMBMKII-STXLJDPYSA-N -1 0 661.213 8.027 40 30 KKEBRM COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c([O-])c(I)c4)cc3s2)cc1 ZINC000150500256 571518456 /nfs/dbraw/zinc/51/84/56/571518456.db2.gz UTSOICQCHLPNQR-KBKYJPHKSA-N -1 0 701.349 6.701 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000150637498 571524493 /nfs/dbraw/zinc/52/44/93/571524493.db2.gz SPCYPKFKLHNFFI-FHNQJCGUSA-N -1 0 646.357 7.121 40 30 KKEBRM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150646616 571524979 /nfs/dbraw/zinc/52/49/79/571524979.db2.gz AWFITIJUTFEUSA-MGBGTMOVSA-N -1 0 711.862 8.361 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2nc(Sc3nc(N4CCCCC4)nc(N4CCCCC4)n3)sc2c1 ZINC000163446611 571535392 /nfs/dbraw/zinc/53/53/92/571535392.db2.gz KOQPIEUOARUTDA-OKCVXOCRSA-N -1 0 689.503 7.594 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)cc3Br)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000164331922 571545916 /nfs/dbraw/zinc/54/59/16/571545916.db2.gz KQKCHGYHBXOMPA-ZLRKZTKYSA-N -1 0 671.613 8.668 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000164391564 571547037 /nfs/dbraw/zinc/54/70/37/571547037.db2.gz WCTDHGPKHWWZOW-RQZCQDPDSA-N -1 0 615.278 5.633 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000164406467 571547446 /nfs/dbraw/zinc/54/74/46/571547446.db2.gz GBINHTHKMPGPPB-YBFXNURJSA-N -1 0 627.435 5.111 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164464573 571548392 /nfs/dbraw/zinc/54/83/92/571548392.db2.gz WQQTWIUJBOCAGV-JAVXJAORSA-N -1 0 863.498 10.356 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000164717735 571550970 /nfs/dbraw/zinc/55/09/70/571550970.db2.gz PIORHMFYKNBUEE-CUMGKQAMSA-N -1 0 696.370 8.230 40 30 KKEBRM [O-]c1c(Br)cc(Cl)cc1C=NN=c1nc2[nH]onc-2nc1Nc1cccc(Br)c1 ZINC000169616406 571553552 /nfs/dbraw/zinc/55/35/52/571553552.db2.gz AVQBUXWKFAMGRK-YXSASFKJSA-N -1 0 539.575 5.086 40 30 KKEBRM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000212044719 571577053 /nfs/dbraw/zinc/57/70/53/571577053.db2.gz ZBWZSZODQYVUMZ-ZMOGYAJESA-N -1 0 500.532 5.081 40 30 KKEBRM CCCC[C@@H](C)OC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)[O-])c4ccccn4)ccc3n2C)cc1 ZINC000299754575 572134022 /nfs/dbraw/zinc/13/40/22/572134022.db2.gz RZWVRQONLYAMEF-OAQYLSRUSA-N -1 0 599.692 5.123 40 30 KKEBRM CCCC[C@H](C)OC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)[O-])c4ccccn4)ccc3n2C)cc1 ZINC000299754574 572134161 /nfs/dbraw/zinc/13/41/61/572134161.db2.gz RZWVRQONLYAMEF-NRFANRHFSA-N -1 0 599.692 5.123 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408530720 572173024 /nfs/dbraw/zinc/17/30/24/572173024.db2.gz NEHSMQMYJZFTKB-XKZIYDEJSA-N -1 0 543.428 6.561 40 30 KKEBRM C#CCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C\C=C2/N(CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21 ZINC000230402917 572186531 /nfs/dbraw/zinc/18/65/31/572186531.db2.gz AVNJFJGWLDAJJM-UHFFFAOYSA-O -1 0 720.934 6.236 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408535095 572187935 /nfs/dbraw/zinc/18/79/35/572187935.db2.gz XURKEDWLIJIVSX-PCYGFIDKSA-N -1 0 534.637 7.389 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408537474 572194855 /nfs/dbraw/zinc/19/48/55/572194855.db2.gz FMGIZWUYFSCIJG-QNGOZBTKSA-N -1 0 544.402 5.763 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408538300 572197442 /nfs/dbraw/zinc/19/74/42/572197442.db2.gz KOLWUTJBKLDHLZ-ZHZULCJRSA-N -1 0 529.977 5.663 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000408538529 572198723 /nfs/dbraw/zinc/19/87/23/572198723.db2.gz OHXUDGVPMIXMOL-CJLVFECKSA-N -1 0 573.484 6.262 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408538740 572199579 /nfs/dbraw/zinc/19/95/79/572199579.db2.gz QBGKKQANPJCJIJ-ZHZULCJRSA-N -1 0 500.979 5.460 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408538780 572199700 /nfs/dbraw/zinc/19/97/00/572199700.db2.gz BQRSUPHIEWNYHP-JWGURIENSA-N -1 0 617.537 6.661 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000408539256 572201555 /nfs/dbraw/zinc/20/15/55/572201555.db2.gz UTBYHGNCBPFTDN-PGMHBOJBSA-N -1 0 515.404 5.560 40 30 KKEBRM O=C([O-])C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl ZINC000245204358 572202017 /nfs/dbraw/zinc/20/20/17/572202017.db2.gz ADMOCDJEQJUWJY-KAZBKCHUSA-N -1 0 596.353 7.062 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408539695 572202822 /nfs/dbraw/zinc/20/28/22/572202822.db2.gz YBLLGNXJIKHSTA-OQKWZONESA-N -1 0 543.458 6.254 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408539882 572203722 /nfs/dbraw/zinc/20/37/22/572203722.db2.gz KGTGRLJHNCZGGV-FXBPSFAMSA-N -1 0 515.473 6.020 40 30 KKEBRM CN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408540891 572207039 /nfs/dbraw/zinc/20/70/39/572207039.db2.gz CLVGBFVAPGSKAS-MZPZELGGSA-N -1 0 542.617 5.051 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408541492 572208920 /nfs/dbraw/zinc/20/89/20/572208920.db2.gz ZSLHZKNDMOTKQY-CLCOLTQESA-N -1 0 552.668 6.288 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)[O-])n[nH]1 ZINC000408630863 572286693 /nfs/dbraw/zinc/28/66/93/572286693.db2.gz DHVITZMWMFIACN-KSEXSDGBSA-N -1 0 566.108 6.571 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Br)ccc2OCc2ccccc2C#N)C(=O)[O-])n[nH]1 ZINC000408631208 572287116 /nfs/dbraw/zinc/28/71/16/572287116.db2.gz GELXHEZCZDZMGU-KSEXSDGBSA-N -1 0 597.878 6.565 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OCc4ccccc4C#N)cc3)C(=O)[O-])n[nH]2)c1 ZINC000408632226 572288589 /nfs/dbraw/zinc/28/85/89/572288589.db2.gz IBNHUZFSIALWMC-MYKKPKGFSA-N -1 0 514.563 5.157 40 30 KKEBRM N#Cc1ccccc1COc1ccc(Br)cc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000408632329 572288757 /nfs/dbraw/zinc/28/87/57/572288757.db2.gz DKPZHNLXWRVLBW-UUYOSTAYSA-N -1 0 567.852 6.556 40 30 KKEBRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)[O-])o2)c1 ZINC000408632721 572289188 /nfs/dbraw/zinc/28/91/88/572289188.db2.gz JXJLZPKSRXSYDR-ZMFRSBBQSA-N -1 0 538.585 5.846 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1Br ZINC000408632877 572289427 /nfs/dbraw/zinc/28/94/27/572289427.db2.gz KVDSBXQLAZUHKB-MFOYZWKCSA-N -1 0 602.688 6.706 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633463 572290168 /nfs/dbraw/zinc/29/01/68/572290168.db2.gz NDUJKEKYYRDMDJ-ZRGSRPPYSA-N -1 0 621.513 6.413 40 30 KKEBRM CCn1c(S/C(=C\c2c(OCC#N)ccc3ccccc32)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633767 572290561 /nfs/dbraw/zinc/29/05/61/572290561.db2.gz PBZXHCUSIHQTOB-JLPGSUDCSA-N -1 0 516.579 5.256 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408633903 572290737 /nfs/dbraw/zinc/29/07/37/572290737.db2.gz NCKIDQXCQOUGSK-PCLIKHOPSA-N -1 0 522.022 7.405 40 30 KKEBRM CCn1c(S/C(=C\c2ccccc2OCc2ccc(C#N)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634701 572291722 /nfs/dbraw/zinc/29/17/22/572291722.db2.gz WPKOQXOSEDSBDS-IWIPYMOSSA-N -1 0 517.010 6.287 40 30 KKEBRM CCn1c(S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634921 572291911 /nfs/dbraw/zinc/29/19/11/572291911.db2.gz XZOXLJOGDDGXEG-OYKKKHCWSA-N -1 0 564.136 7.056 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408634834 572291926 /nfs/dbraw/zinc/29/19/26/572291926.db2.gz VHFMGGDDBDSNFV-PCLIKHOPSA-N -1 0 583.493 7.967 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])o1 ZINC000408635297 572292409 /nfs/dbraw/zinc/29/24/09/572292409.db2.gz ZZCZHDJCSUBMHW-ROTLSHHCSA-N -1 0 543.004 6.491 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(N(C)C(C)=O)cc4)c3=O)n2)cc1 ZINC000097959180 1069690630 /nfs/dbraw/zinc/69/06/30/1069690630.db2.gz GPMNYVYKPSJJFG-GKPLWNPISA-N -1 0 524.606 5.020 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931077 1069756157 /nfs/dbraw/zinc/75/61/57/1069756157.db2.gz GWQQHSVGHMEKSQ-XAUQARRPSA-N -1 0 612.711 7.381 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OC)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932593 1069757757 /nfs/dbraw/zinc/75/77/57/1069757757.db2.gz XVPFBBAJFKIFFN-AVFFQYQTSA-N -1 0 632.330 6.731 40 30 KKEBRM C[C@H](CC(=O)OC(C)(C)C)ON=C(C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000604940606 1069782810 /nfs/dbraw/zinc/78/28/10/1069782810.db2.gz KKLUBPWRDUAJML-JOCHJYFZSA-N -1 0 571.699 6.473 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1OC ZINC000109593906 1069781601 /nfs/dbraw/zinc/78/16/01/1069781601.db2.gz WIWXRAQSGQBNJO-LFVJCYFKSA-N -1 0 513.681 6.847 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408773373 1069886248 /nfs/dbraw/zinc/88/62/48/1069886248.db2.gz VBERARCUFATDNU-ZVHZXABRSA-N -1 0 556.416 5.603 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408775383 1069893020 /nfs/dbraw/zinc/89/30/20/1069893020.db2.gz PSRJKTBYJWEWBR-MFKUBSTISA-N -1 0 514.553 5.425 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408779028 1069899294 /nfs/dbraw/zinc/89/92/94/1069899294.db2.gz PDZIRMGKGPHWEP-YDZHTSKRSA-N -1 0 560.990 5.441 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408794892 1069927043 /nfs/dbraw/zinc/92/70/43/1069927043.db2.gz KHHXDGSBAAFQBF-BELQJWEKSA-N -1 0 721.314 6.278 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408796563 1069928572 /nfs/dbraw/zinc/92/85/72/1069928572.db2.gz PGMWQCFYHYHFIH-VGSQXBGSSA-N -1 0 617.521 7.512 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408791866 1069930880 /nfs/dbraw/zinc/93/08/80/1069930880.db2.gz DNMFVPJYPPGNMC-XXCIOWNUSA-N -1 0 595.418 5.674 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S2)c1 ZINC000408809806 1069962356 /nfs/dbraw/zinc/96/23/56/1069962356.db2.gz JJDRAYXTRXQPCO-MYYYXRDXSA-N -1 0 514.990 6.662 40 30 KKEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408823091 1069986046 /nfs/dbraw/zinc/98/60/46/1069986046.db2.gz CMANCBULXXBKPX-YZSQISJMSA-N -1 0 573.432 6.957 40 30 KKEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408826246 1070002840 /nfs/dbraw/zinc/00/28/40/1070002840.db2.gz LBABFMLZYADLEY-LFVJCYFKSA-N -1 0 577.431 5.658 40 30 KKEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408827813 1070007540 /nfs/dbraw/zinc/00/75/40/1070007540.db2.gz UZNMWWQVDDAEAH-PXLXIMEGSA-N -1 0 518.953 5.159 40 30 KKEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408831191 1070019760 /nfs/dbraw/zinc/01/97/60/1070019760.db2.gz OWLFBEOBTZPPOJ-WQXJDYIOSA-N -1 0 630.144 7.449 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000408831944 1070021668 /nfs/dbraw/zinc/02/16/68/1070021668.db2.gz HVOJRMMAVVYFCD-WSDLNYQXSA-N -1 0 599.854 6.303 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408832038 1070022816 /nfs/dbraw/zinc/02/28/16/1070022816.db2.gz PTBZELBFGBUABC-OEAKJJBVSA-N -1 0 703.327 6.263 40 30 KKEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408837080 1070029725 /nfs/dbraw/zinc/02/97/25/1070029725.db2.gz YRKLPRQKNYXSAB-HZHRSRAPSA-N -1 0 567.823 5.913 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408834579 1070034373 /nfs/dbraw/zinc/03/43/73/1070034373.db2.gz WNYTZGALRBTCNJ-LPYMAVHISA-N -1 0 644.849 5.763 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408853071 1070060263 /nfs/dbraw/zinc/06/02/63/1070060263.db2.gz LBNBYBBAWPUCLW-YRNVUSSQSA-N -1 0 685.108 5.599 40 30 KKEBRM O=C1/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408906430 1070179709 /nfs/dbraw/zinc/17/97/09/1070179709.db2.gz JHIIKMLGPSBRCD-VOYPSTMSSA-N -1 0 544.268 6.721 40 30 KKEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1C1CCCCC1 ZINC000408912529 1070190157 /nfs/dbraw/zinc/19/01/57/1070190157.db2.gz NKKJGTMGODSMEP-CIFGJUBISA-N -1 0 564.343 7.416 40 30 KKEBRM CC[C@H](C)N1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913253 1070191754 /nfs/dbraw/zinc/19/17/54/1070191754.db2.gz PQLFPELYKBHHLQ-IROLNFEJSA-N -1 0 524.278 6.628 40 30 KKEBRM O=C(Nc1ccccc1)c1c(/N=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000408911274 1070203898 /nfs/dbraw/zinc/20/38/98/1070203898.db2.gz JSVOWJCXSLPAPW-MSXFZWOLSA-N -1 0 500.374 6.006 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O ZINC000408918143 1070230787 /nfs/dbraw/zinc/23/07/87/1070230787.db2.gz GTAXTOAJDBCRPG-RBCJLTSXSA-N -1 0 553.434 6.056 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408928580 1070252079 /nfs/dbraw/zinc/25/20/79/1070252079.db2.gz CZAKQUJIYGSUOJ-YNHMEYCFSA-N -1 0 564.063 5.688 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930421 1070260058 /nfs/dbraw/zinc/26/00/58/1070260058.db2.gz WVRKWRBAMKSXHS-UHLYQKDGSA-N -1 0 501.608 6.259 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408930420 1070260124 /nfs/dbraw/zinc/26/01/24/1070260124.db2.gz WVIBPHCWCRQCDS-XNMVVWAFSA-N -1 0 523.998 5.369 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931111 1070262214 /nfs/dbraw/zinc/26/22/14/1070262214.db2.gz HIGMNBFCJKNIJR-XRRXZQNGSA-N -1 0 580.460 5.707 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932781 1070263959 /nfs/dbraw/zinc/26/39/59/1070263959.db2.gz ZFPVIIODCZAPEO-OZHDEPMQSA-N -1 0 616.699 6.791 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935265 1070272936 /nfs/dbraw/zinc/27/29/36/1070272936.db2.gz NCGDXKDERGLOHZ-VOYMCNKXSA-N -1 0 698.422 8.846 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408932195 1070279503 /nfs/dbraw/zinc/27/95/03/1070279503.db2.gz BNNWKQRWBQGLNS-QHMIWGDOSA-N -1 0 663.579 8.482 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cc(Br)c(I)o3)SC2=Nc2ccccc2)cc1 ZINC000408950005 1070307223 /nfs/dbraw/zinc/30/72/23/1070307223.db2.gz CZXPLZDEZZKTAS-LWCDXBROSA-N -1 0 609.239 6.149 40 30 KKEBRM C#CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408956974 1070324036 /nfs/dbraw/zinc/32/40/36/1070324036.db2.gz ZKLNPDLPXRRXQO-WYMPLXKRSA-N -1 0 589.486 5.604 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408963297 1070328574 /nfs/dbraw/zinc/32/85/74/1070328574.db2.gz BJFFYVOOGGSCJI-CIAFOILYSA-N -1 0 618.303 6.389 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964157 1070329481 /nfs/dbraw/zinc/32/94/81/1070329481.db2.gz CAYVFVLXPOBAFV-FSGBDAEFSA-N -1 0 502.592 5.823 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)cc2Br)c1 ZINC000408964983 1070330461 /nfs/dbraw/zinc/33/04/61/1070330461.db2.gz JKFFJURGNCLBDD-RGVLZGJSSA-N -1 0 578.271 6.925 40 30 KKEBRM CCOc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2CC)cc1 ZINC000408964989 1070330479 /nfs/dbraw/zinc/33/04/79/1070330479.db2.gz FHMGBSXLGGQUBU-SBZDMIGCSA-N -1 0 532.618 5.995 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408967051 1070332510 /nfs/dbraw/zinc/33/25/10/1070332510.db2.gz POKJYEAUSKGTIC-MRYWEKRUSA-N -1 0 573.671 5.433 40 30 KKEBRM O=C(Nc1ccccc1)c1c(/N=C/c2cc(Br)c([O-])c(Br)c2)sc2c1CCCCCC2 ZINC000408970987 1070335022 /nfs/dbraw/zinc/33/50/22/1070335022.db2.gz FKJJMPUFZAMUJD-MZJWZYIUSA-N -1 0 562.327 7.641 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408979495 1070343993 /nfs/dbraw/zinc/34/39/93/1070343993.db2.gz RDIGJSMTUOMLOE-BRJLIKDPSA-N -1 0 614.290 7.523 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408982867 1070341657 /nfs/dbraw/zinc/34/16/57/1070341657.db2.gz FQHSTHKRENSYBN-QRVIBDJDSA-N -1 0 551.426 6.284 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408985777 1070346516 /nfs/dbraw/zinc/34/65/16/1070346516.db2.gz AWHCMBUXTJUKHD-FMCGGJTJSA-N -1 0 590.861 6.257 40 30 KKEBRM Cc1cccc(NC(=O)c2c(/N=C/c3cc(Br)c([O-])c(Br)c3)sc3c2CCCCCC3)c1C ZINC000409013375 1070390981 /nfs/dbraw/zinc/39/09/81/1070390981.db2.gz KALWMLVQMUBYTC-IPPBACCNSA-N -1 0 590.381 8.257 40 30 KKEBRM COCCCN1C2=C(C(=O)CCC2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CCCC2=O ZINC000409037615 1070440335 /nfs/dbraw/zinc/44/03/35/1070440335.db2.gz TWLSQMZMUWSAIR-UHFFFAOYSA-N -1 0 539.264 5.367 40 30 KKEBRM CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1Br ZINC000409046895 1070457858 /nfs/dbraw/zinc/45/78/58/1070457858.db2.gz LHEAMNHBYYBODW-UHFFFAOYSA-N -1 0 553.247 5.108 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409060579 1070473672 /nfs/dbraw/zinc/47/36/72/1070473672.db2.gz UXFHAARYXXVCAI-YHSWEDCKSA-N -1 0 616.331 7.113 40 30 KKEBRM C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000409066432 1070483343 /nfs/dbraw/zinc/48/33/43/1070483343.db2.gz ASFFYDXBWUMHRD-ZXVVBBHZSA-N -1 0 536.584 5.071 40 30 KKEBRM CCCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC ZINC000409068012 1070484639 /nfs/dbraw/zinc/48/46/39/1070484639.db2.gz JUDIZGZDOVQWES-MKMXVRELSA-N -1 0 566.417 5.411 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409067718 1070484661 /nfs/dbraw/zinc/48/46/61/1070484661.db2.gz QXYBCIFMLUCPSZ-UHFFFAOYSA-N -1 0 671.028 7.850 40 30 KKEBRM CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409068295 1070485374 /nfs/dbraw/zinc/48/53/74/1070485374.db2.gz ABGZSWZHECQLSC-UHFFFAOYSA-N -1 0 623.382 6.771 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068396 1070485420 /nfs/dbraw/zinc/48/54/20/1070485420.db2.gz ALGHIWOLBFSQSV-UHFFFAOYSA-N -1 0 565.062 7.026 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409068491 1070485500 /nfs/dbraw/zinc/48/55/00/1070485500.db2.gz SVQWRYFXAQEDDB-UHFFFAOYSA-N -1 0 690.675 8.316 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409074993 1070487507 /nfs/dbraw/zinc/48/75/07/1070487507.db2.gz WGAAEBNWPXPDCI-OEAKJJBVSA-N -1 0 548.998 6.160 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409074741 1070487647 /nfs/dbraw/zinc/48/76/47/1070487647.db2.gz RFBIRVVJXYNGNT-AJBULDERSA-N -1 0 606.650 6.777 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409074995 1070487670 /nfs/dbraw/zinc/48/76/70/1070487670.db2.gz WGIIJICYUKAQDJ-UHFFFAOYSA-N -1 0 606.159 7.339 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409071011 1070496299 /nfs/dbraw/zinc/49/62/99/1070496299.db2.gz PSBVQVWWUNBLTM-UHFFFAOYSA-N -1 0 642.568 5.987 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069898 1070494738 /nfs/dbraw/zinc/49/47/38/1070494738.db2.gz BICPJTCKHGYULX-PXLXIMEGSA-N -1 0 615.491 5.863 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072089 1070498311 /nfs/dbraw/zinc/49/83/11/1070498311.db2.gz AYMQJXJYRMXBSE-UHFFFAOYSA-N -1 0 568.497 7.244 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc21 ZINC000409072014 1070498399 /nfs/dbraw/zinc/49/83/99/1070498399.db2.gz RGMUAOWBRZZGTF-UHFFFAOYSA-N -1 0 551.639 6.316 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409073363 1070499694 /nfs/dbraw/zinc/49/96/94/1070499694.db2.gz MMFWQOHUJIQILK-BUVRLJJBSA-N -1 0 560.990 5.109 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(F)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409074221 1070501040 /nfs/dbraw/zinc/50/10/40/1070501040.db2.gz PLAWUNKEZFRVTC-UHFFFAOYSA-N -1 0 568.439 6.055 40 30 KKEBRM CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CCCC2=O ZINC000409074180 1070501142 /nfs/dbraw/zinc/50/11/42/1070501142.db2.gz YMFGKJCFWQYDDC-UHFFFAOYSA-N -1 0 536.422 5.770 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c(I)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409081592 1070504754 /nfs/dbraw/zinc/50/47/54/1070504754.db2.gz QDLYUXYUKFAUNH-FFCNRAIOSA-N -1 0 637.381 7.975 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083084 1070507638 /nfs/dbraw/zinc/50/76/38/1070507638.db2.gz NKUMCYIXNXBEFC-DEDYPNTBSA-N -1 0 629.975 7.161 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083372 1070508494 /nfs/dbraw/zinc/50/84/94/1070508494.db2.gz VHTMQSJYXOUMGA-UHFFFAOYSA-N -1 0 691.099 8.228 40 30 KKEBRM COc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409125588 1070553079 /nfs/dbraw/zinc/55/30/79/1070553079.db2.gz BHUFNCNGBKRCDF-XKZIYDEJSA-N -1 0 522.966 5.026 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409127262 1070554878 /nfs/dbraw/zinc/55/48/78/1070554878.db2.gz CTSUDLXYBJXFFC-YZSQISJMSA-N -1 0 619.114 6.506 40 30 KKEBRM O=C([O-])c1ccc(C/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1 ZINC000409187445 1070596370 /nfs/dbraw/zinc/59/63/70/1070596370.db2.gz QLIZJYLHBAVNBL-DHRITJCHSA-N -1 0 503.190 6.108 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409192912 1070610506 /nfs/dbraw/zinc/61/05/06/1070610506.db2.gz HBHXEEQEWAFVPD-OVVQPSECSA-N -1 0 648.734 5.349 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000409228954 1070646356 /nfs/dbraw/zinc/64/63/56/1070646356.db2.gz HPJURHASCCMJGO-GPNBTPLFSA-N -1 0 571.655 5.884 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409279082 1070726508 /nfs/dbraw/zinc/72/65/08/1070726508.db2.gz GOPRHFAQLRWRNU-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000409279317 1070726929 /nfs/dbraw/zinc/72/69/29/1070726929.db2.gz HGQQTUNUHVTKGY-UHFFFAOYSA-N -1 0 584.180 5.831 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409281387 1070731078 /nfs/dbraw/zinc/73/10/78/1070731078.db2.gz MDKLHICTWPOKIH-UHFFFAOYSA-N -1 0 614.441 7.285 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279815 1070728211 /nfs/dbraw/zinc/72/82/11/1070728211.db2.gz JXCVSNXWLXYFIF-UHFFFAOYSA-N -1 0 638.474 7.130 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409283066 1070735910 /nfs/dbraw/zinc/73/59/10/1070735910.db2.gz QBEIKDWFIXCOLW-UHFFFAOYSA-N -1 0 664.148 6.406 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409285306 1070741631 /nfs/dbraw/zinc/74/16/31/1070741631.db2.gz NGFCXXZGHBCRNQ-LLVKDONJSA-N -1 0 571.653 5.432 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409291587 1070743813 /nfs/dbraw/zinc/74/38/13/1070743813.db2.gz DETABOIHYPXUKB-UHFFFAOYSA-N -1 0 544.564 5.148 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409294968 1070752020 /nfs/dbraw/zinc/75/20/20/1070752020.db2.gz CNELZCJODRHAGB-UHFFFAOYSA-N -1 0 585.616 6.706 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)[O-] ZINC000409295102 1070752030 /nfs/dbraw/zinc/75/20/30/1070752030.db2.gz CLDGCSRQPVJHFD-UHFFFAOYSA-N -1 0 602.441 6.045 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409294992 1070752043 /nfs/dbraw/zinc/75/20/43/1070752043.db2.gz NJKSDDIOCFDYBK-KRWDZBQOSA-N -1 0 623.460 5.909 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409295135 1070752349 /nfs/dbraw/zinc/75/23/49/1070752349.db2.gz CUQBOXCXYASGFP-UHFFFAOYSA-N -1 0 605.691 7.062 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1OCC(=O)[O-] ZINC000409288124 1070756642 /nfs/dbraw/zinc/75/66/42/1070756642.db2.gz CZVOXHDLVWYMHJ-UHFFFAOYSA-N -1 0 596.821 5.970 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409288120 1070756696 /nfs/dbraw/zinc/75/66/96/1070756696.db2.gz CYJCIFMHQNMYRS-UHFFFAOYSA-N -1 0 644.276 6.113 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409290025 1070761764 /nfs/dbraw/zinc/76/17/64/1070761764.db2.gz QLIFNKYNPWINLV-UHFFFAOYSA-N -1 0 594.967 6.531 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409298714 1070772218 /nfs/dbraw/zinc/77/22/18/1070772218.db2.gz OACYDLKPNREPJY-UHFFFAOYSA-N -1 0 534.410 5.616 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCC(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409301320 1070778356 /nfs/dbraw/zinc/77/83/56/1070778356.db2.gz ARUGNQDOMWDQCW-UHFFFAOYSA-N -1 0 643.332 6.375 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OCc3cccc(C(=O)[O-])c3)ccc3ccccc32)cc1C(C)C ZINC000409302551 1070780994 /nfs/dbraw/zinc/78/09/94/1070780994.db2.gz FIDDKUWUZGEBDC-UHFFFAOYSA-N -1 0 625.725 8.207 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2Br)c1 ZINC000409303446 1070782832 /nfs/dbraw/zinc/78/28/32/1070782832.db2.gz HAMTVWVMWAVLIG-UHFFFAOYSA-N -1 0 663.311 8.038 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409309092 1070789210 /nfs/dbraw/zinc/78/92/10/1070789210.db2.gz BHNMWVAHIYTKOZ-SFHVURJKSA-N -1 0 578.463 6.231 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409305822 1070801118 /nfs/dbraw/zinc/80/11/18/1070801118.db2.gz XMCPGVLXXQVHDU-ZDUSSCGKSA-N -1 0 595.288 5.352 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1O[C@@H](C)C(=O)[O-] ZINC000409321357 1070809201 /nfs/dbraw/zinc/80/92/01/1070809201.db2.gz HFJXHMOLTQUFGC-AWEZNQCLSA-N -1 0 562.848 5.603 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409319826 1070806505 /nfs/dbraw/zinc/80/65/05/1070806505.db2.gz MHMQZZJSVWMFIW-UHFFFAOYSA-N -1 0 520.383 5.271 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000409321656 1070809984 /nfs/dbraw/zinc/80/99/84/1070809984.db2.gz IYUSHEIGYYBVSU-NEPJUHHUSA-N -1 0 541.229 5.713 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409322485 1070811538 /nfs/dbraw/zinc/81/15/38/1070811538.db2.gz XTSPPHVBYOTBCL-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322861 1070811863 /nfs/dbraw/zinc/81/18/63/1070811863.db2.gz YIKKXFAQTZTQGP-MRXNPFEDSA-N -1 0 579.407 5.740 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322898 1070812043 /nfs/dbraw/zinc/81/20/43/1070812043.db2.gz YMWPJBNFFQBVJR-OAHLLOKOSA-N -1 0 658.303 6.503 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409315746 1070818056 /nfs/dbraw/zinc/81/80/56/1070818056.db2.gz ONSINRLKTQGVQS-UHFFFAOYSA-N -1 0 584.854 5.933 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000409333995 1070839739 /nfs/dbraw/zinc/83/97/39/1070839739.db2.gz KTMQZZCZKHJPIQ-ZDUSSCGKSA-N -1 0 528.790 6.166 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409333926 1070839867 /nfs/dbraw/zinc/83/98/67/1070839867.db2.gz FYGMNMUJGOKZJG-JBCBYVDOSA-N -1 0 609.365 6.631 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000409333993 1070840089 /nfs/dbraw/zinc/84/00/89/1070840089.db2.gz KTMQZZCZKHJPIQ-CYBMUJFWSA-N -1 0 528.790 6.166 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC000409326035 1070843709 /nfs/dbraw/zinc/84/37/09/1070843709.db2.gz FUASKERWWWCSHI-INIZCTEOSA-N -1 0 643.332 6.603 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccccc3OCc3ccc(Br)cc3)SC2=N)s1 ZINC000409336567 1070857175 /nfs/dbraw/zinc/85/71/75/1070857175.db2.gz PSDYZLVTYBHTCI-FDKCTOBMSA-N -1 0 500.443 5.860 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409404845 1070923652 /nfs/dbraw/zinc/92/36/52/1070923652.db2.gz MOUDOLWFNLUYOK-UHFFFAOYSA-N -1 0 588.845 6.639 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408910022 1070971488 /nfs/dbraw/zinc/97/14/88/1070971488.db2.gz IPQLRLDFUAOLBZ-CIFGJUBISA-N -1 0 652.295 7.027 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408917055 1070994328 /nfs/dbraw/zinc/99/43/28/1070994328.db2.gz LPEHDXBRWJIQGL-WQCVWPLISA-N -1 0 657.586 8.238 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccco4)C3=O)o2)cc1Cl ZINC000408916545 1071001186 /nfs/dbraw/zinc/00/11/86/1071001186.db2.gz FCMZXDNDKBXRFM-GWISFZTMSA-N -1 0 504.951 6.695 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)O[C@@H]1c1ccc(OC)cc1OCC(=O)[O-] ZINC000585266315 1071004087 /nfs/dbraw/zinc/00/40/87/1071004087.db2.gz LYIMHKDEMSAGRS-JFIAXGOJSA-N -1 0 510.989 7.130 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408914094 1071013944 /nfs/dbraw/zinc/01/39/44/1071013944.db2.gz SOHULXWLRABOMZ-KZINRLMESA-N -1 0 547.471 5.880 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408911090 1071064227 /nfs/dbraw/zinc/06/42/27/1071064227.db2.gz IVLISVXGTXJFQB-SRVANGTOSA-N -1 0 539.407 5.730 40 30 KKEBRM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408910908 1071065165 /nfs/dbraw/zinc/06/51/65/1071065165.db2.gz LWCIMYAHKBSUIX-MXAYSNPKSA-N -1 0 514.332 5.479 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S/C2=N/c2ccccc2)cc1 ZINC000408919270 1071122180 /nfs/dbraw/zinc/12/21/80/1071122180.db2.gz VQZGNXJJXYJGLC-UNAWRRCPSA-N -1 0 559.987 7.011 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408919608 1071119383 /nfs/dbraw/zinc/11/93/83/1071119383.db2.gz YXHWOECLRMIKFO-QALOTRAISA-N -1 0 649.168 8.973 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931519 1071151720 /nfs/dbraw/zinc/15/17/20/1071151720.db2.gz MRDLQUXVEOOCCU-WDESBQFUSA-N -1 0 688.416 9.390 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931642 1071149832 /nfs/dbraw/zinc/14/98/32/1071149832.db2.gz OKPYVFIDWURVHM-UPZKLFIVSA-N -1 0 694.003 8.201 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408917408 1071149860 /nfs/dbraw/zinc/14/98/60/1071149860.db2.gz UBKKSDXRBYLUQZ-WQCVWPLISA-N -1 0 629.134 7.829 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408917416 1071149867 /nfs/dbraw/zinc/14/98/67/1071149867.db2.gz UEAHFWSBYUUJAP-JCEPQGBGSA-N -1 0 745.422 8.688 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931680 1071150504 /nfs/dbraw/zinc/15/05/04/1071150504.db2.gz OVFWAXXGFPTAQR-JQDPYBPBSA-N -1 0 587.495 7.422 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930800 1071157621 /nfs/dbraw/zinc/15/76/21/1071157621.db2.gz CFNSBABAVQSCBY-AUBQNVRWSA-N -1 0 728.448 8.855 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408931024 1071155055 /nfs/dbraw/zinc/15/50/55/1071155055.db2.gz GEPIZBHWCVIQDY-MCLXNYAESA-N -1 0 569.658 7.053 40 30 KKEBRM CC/N=C1/S/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N1CC ZINC000408931072 1071155061 /nfs/dbraw/zinc/15/50/61/1071155061.db2.gz GTBBYBGREBALQF-XXZJRBTDSA-N -1 0 580.444 5.279 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3ccc4ccccc4c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930863 1071155738 /nfs/dbraw/zinc/15/57/38/1071155738.db2.gz CZTYQNBGUXMMJA-AMHNEPIPSA-N -1 0 600.696 7.930 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408930890 1071156237 /nfs/dbraw/zinc/15/62/37/1071156237.db2.gz DKOXBAXJCZQHPY-LOVOJFSFSA-N -1 0 689.503 6.087 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408930337 1071161546 /nfs/dbraw/zinc/16/15/46/1071161546.db2.gz VQXIQMJWEPYBCT-NBBXONKTSA-N -1 0 638.540 5.805 40 30 KKEBRM CCOc1cc(Br)c(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1OC ZINC000408935800 1071220272 /nfs/dbraw/zinc/22/02/72/1071220272.db2.gz NTLHCGFSBNBURJ-OEYHXBIYSA-N -1 0 505.390 5.097 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935139 1071225397 /nfs/dbraw/zinc/22/53/97/1071225397.db2.gz MPZIJGSYPKUYMO-VUSROABMSA-N -1 0 582.638 6.513 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408934541 1071232353 /nfs/dbraw/zinc/23/23/53/1071232353.db2.gz LUZBIIYGNMJSOD-QVIDYMJFSA-N -1 0 598.706 7.394 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3cccc(F)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932986 1071246956 /nfs/dbraw/zinc/24/69/56/1071246956.db2.gz GHRIUNZYGLCUIN-BLGMPFDXSA-N -1 0 568.626 6.916 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OC ZINC000110708538 1071243368 /nfs/dbraw/zinc/24/33/68/1071243368.db2.gz GUWWJEKQLNTFKD-VJJQQEAFSA-N -1 0 577.853 8.620 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1 ZINC000110708452 1071243437 /nfs/dbraw/zinc/24/34/37/1071243437.db2.gz MMSRCMWDJDKDSW-RWEWTDSWSA-N -1 0 533.800 8.223 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC ZINC000110708669 1071243990 /nfs/dbraw/zinc/24/39/90/1071243990.db2.gz SALOAJNCBKRQGV-HZRSJKMUSA-N -1 0 529.680 6.633 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708674 1071244013 /nfs/dbraw/zinc/24/40/13/1071244013.db2.gz IVTFVNHLSBPRFX-UFAQQFSPSA-N -1 0 527.708 7.235 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408932172 1071253030 /nfs/dbraw/zinc/25/30/30/1071253030.db2.gz UPFKKEVQYHZWNY-YRDVNVGOSA-N -1 0 557.455 6.821 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C(=O)N2C)cccc1C(=O)[O-] ZINC000408943827 1071290153 /nfs/dbraw/zinc/29/01/53/1071290153.db2.gz ZCTOIPYNLOAGAE-WQALQZMFSA-N -1 0 606.325 7.575 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408942186 1071302495 /nfs/dbraw/zinc/30/24/95/1071302495.db2.gz WPXZFUSLCDYEGO-GEVFPYMXSA-N -1 0 698.422 8.846 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408940595 1071316145 /nfs/dbraw/zinc/31/61/45/1071316145.db2.gz VCVKTXOLLNRXNM-NQLWMSKBSA-N -1 0 669.586 9.237 40 30 KKEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)S2)cc1 ZINC000408951754 1071348843 /nfs/dbraw/zinc/34/88/43/1071348843.db2.gz JZHUZHXSNJSUMS-BUVRLJJBSA-N -1 0 597.487 6.415 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408947282 1071371648 /nfs/dbraw/zinc/37/16/48/1071371648.db2.gz BSXZZFHAGPUBDO-CNHKJKLMSA-N -1 0 625.229 5.057 40 30 KKEBRM Cc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408956053 1071380755 /nfs/dbraw/zinc/38/07/55/1071380755.db2.gz VTKSRZAFFJMCIG-ATZGPIRCSA-N -1 0 594.715 7.004 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408955383 1071386231 /nfs/dbraw/zinc/38/62/31/1071386231.db2.gz UHWCZSKGNZKFPH-KEBDBYFISA-N -1 0 581.408 5.705 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408692554 1071394940 /nfs/dbraw/zinc/39/49/40/1071394940.db2.gz PFFGGZOSJAKJPO-HYARGMPZSA-N -1 0 539.426 5.170 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408960011 1071435048 /nfs/dbraw/zinc/43/50/48/1071435048.db2.gz HZMUEZCBWQRXQD-CTUAPNNDSA-N -1 0 541.673 6.578 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C(=O)[O-])c4C)N(C)C3=O)c2C)c1 ZINC000408968247 1071462267 /nfs/dbraw/zinc/46/22/67/1071462267.db2.gz XOZKJKPKCBCDGW-HRUMIUIVSA-N -1 0 517.607 5.511 40 30 KKEBRM C[C@@H]1CCCCN1c1nc(NN=Cc2cc(Br)cc(Br)c2[O-])nc(Nc2ccccc2F)n1 ZINC000408976423 1071470966 /nfs/dbraw/zinc/47/09/66/1071470966.db2.gz FQCFIFVCTVBODX-SUZBBLJPSA-N -1 0 579.272 5.232 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)cc1Cl ZINC000408985126 1071503119 /nfs/dbraw/zinc/50/31/19/1071503119.db2.gz VOJYAOVRSVYXCH-JMIUGGIZSA-N -1 0 597.796 5.370 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1Cl ZINC000408985444 1071501242 /nfs/dbraw/zinc/50/12/42/1071501242.db2.gz WVTPDKVSOVCTPL-UWVJOHFNSA-N -1 0 723.692 5.975 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408984212 1071511591 /nfs/dbraw/zinc/51/15/91/1071511591.db2.gz QALNHAYVMFHGLB-NHDPSOOVSA-N -1 0 703.274 5.575 40 30 KKEBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408983272 1071518158 /nfs/dbraw/zinc/51/81/58/1071518158.db2.gz LBJXQNXFOPFPIR-UKWGHVSLSA-N -1 0 580.822 5.537 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000408982612 1071525239 /nfs/dbraw/zinc/52/52/39/1071525239.db2.gz IJDXQYTVOFKONG-YVLHZVERSA-N -1 0 503.780 5.205 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408982101 1071530182 /nfs/dbraw/zinc/53/01/82/1071530182.db2.gz FSEHCMSZFRFJOM-MTJSOVHGSA-N -1 0 600.296 7.038 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408981784 1071532284 /nfs/dbraw/zinc/53/22/84/1071532284.db2.gz BTFAKJVCIGCBJG-OYKKKHCWSA-N -1 0 565.453 6.674 40 30 KKEBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408981256 1071535522 /nfs/dbraw/zinc/53/55/22/1071535522.db2.gz AAVKMJHPKGSBJW-UKWGHVSLSA-N -1 0 580.822 5.537 40 30 KKEBRM Cc1cc(Br)c(Nc2nc(NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)n2)cc1Cl ZINC000408719770 1071546180 /nfs/dbraw/zinc/54/61/80/1071546180.db2.gz RGPNRRDHXKCLKV-KALUYTGESA-N -1 0 676.595 5.275 40 30 KKEBRM Cc1cccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)c1C ZINC000408995121 1071553798 /nfs/dbraw/zinc/55/37/98/1071553798.db2.gz JECCCNNOEWNNLH-UUYOSTAYSA-N -1 0 710.331 6.681 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408992671 1071570582 /nfs/dbraw/zinc/57/05/82/1071570582.db2.gz UPDCFRFMDQOHEP-UCQKPKSFSA-N -1 0 565.453 6.538 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408992899 1071570043 /nfs/dbraw/zinc/57/00/43/1071570043.db2.gz UXOARZSBIMKAKI-QQXSKIMKSA-N -1 0 521.573 5.103 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408991377 1071581738 /nfs/dbraw/zinc/58/17/38/1071581738.db2.gz ZZRUNGSYMFBZLR-XKZIYDEJSA-N -1 0 530.378 5.129 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408990859 1071587363 /nfs/dbraw/zinc/58/73/63/1071587363.db2.gz OORGWNTXKKERND-UQQQWYQISA-N -1 0 545.035 6.275 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S1 ZINC000408738371 1071610026 /nfs/dbraw/zinc/61/00/26/1071610026.db2.gz KJWSHGOOKKYALV-NSIKDUERSA-N -1 0 502.615 5.771 40 30 KKEBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408987410 1071612971 /nfs/dbraw/zinc/61/29/71/1071612971.db2.gz OOMAWPUPMUSAQK-NHDPSOOVSA-N -1 0 609.274 5.891 40 30 KKEBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408743290 1071618348 /nfs/dbraw/zinc/61/83/48/1071618348.db2.gz VQGVMTLBWXTZMK-ORBAKXMTSA-N -1 0 555.435 5.275 40 30 KKEBRM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Cl)c(C(=O)[O-])c3)c2-c2ccccc2)cc1 ZINC000408742033 1071622831 /nfs/dbraw/zinc/62/28/31/1071622831.db2.gz MODRKJRXDDRXGL-KEIPNQJHSA-N -1 0 521.016 8.312 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408756595 1071637216 /nfs/dbraw/zinc/63/72/16/1071637216.db2.gz WQPYPKOYCOMLOR-HZHRSRAPSA-N -1 0 609.904 6.784 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)S2)cc(C)c1Br ZINC000408756504 1071638285 /nfs/dbraw/zinc/63/82/85/1071638285.db2.gz VTVVJEQUUJOYTN-AUWJEWJLSA-N -1 0 527.194 5.334 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\SC(=Nc4ccc(Br)cc4)NC3=O)cc2I)cc1 ZINC000409002593 1071640212 /nfs/dbraw/zinc/64/02/12/1071640212.db2.gz VIXWZFUHGIFEKI-JAIQZWGSSA-N -1 0 761.173 6.827 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408754854 1071648804 /nfs/dbraw/zinc/64/88/04/1071648804.db2.gz LNYVDIMOKFFLPN-KEBDBYFISA-N -1 0 625.273 5.646 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c([O-])c(I)c3)S2)cc1 ZINC000408754872 1071649455 /nfs/dbraw/zinc/64/94/55/1071649455.db2.gz SLPOFZHJMJCULL-DHDCSXOGSA-N -1 0 529.197 5.213 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408754332 1071652796 /nfs/dbraw/zinc/65/27/96/1071652796.db2.gz MSOUZCANOCNAHT-OEAKJJBVSA-N -1 0 579.422 5.879 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408753402 1071658717 /nfs/dbraw/zinc/65/87/17/1071658717.db2.gz MMFZRHQXOWFAJS-LPYMAVHISA-N -1 0 575.415 5.460 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408752279 1071666009 /nfs/dbraw/zinc/66/60/09/1071666009.db2.gz HHZQYZGCJXNBAM-WGOQTCKBSA-N -1 0 660.362 7.647 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2I)cc1 ZINC000408749472 1071684430 /nfs/dbraw/zinc/68/44/30/1071684430.db2.gz HDFMKDAGHBLXCX-OPVMPGTRSA-N -1 0 597.163 5.080 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I ZINC000408760228 1071697979 /nfs/dbraw/zinc/69/79/79/1071697979.db2.gz UUMBBUALPUYQSU-RIYZIHGNSA-N -1 0 646.073 5.356 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409009644 1071695082 /nfs/dbraw/zinc/69/50/82/1071695082.db2.gz HHRGTXLXZJOGHW-KTAJVBQSSA-N -1 0 531.815 6.685 40 30 KKEBRM O=C([O-])COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1Br ZINC000409024785 1071710832 /nfs/dbraw/zinc/71/08/32/1071710832.db2.gz WQIGSLNGDXVMNI-LGJNPRDNSA-N -1 0 513.413 5.856 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408764443 1071728299 /nfs/dbraw/zinc/72/82/99/1071728299.db2.gz IRUFYMYPXXYULC-SSDVNMTOSA-N -1 0 573.852 6.280 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)o1 ZINC000408764357 1071729168 /nfs/dbraw/zinc/72/91/68/1071729168.db2.gz MKNMPIJMCVPMRL-JAIQZWGSSA-N -1 0 511.397 6.224 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I ZINC000408762204 1071737184 /nfs/dbraw/zinc/73/71/84/1071737184.db2.gz DFDCDDPXFAXEMX-RIYZIHGNSA-N -1 0 693.073 5.198 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc(C)c1Br ZINC000408761540 1071739521 /nfs/dbraw/zinc/73/95/21/1071739521.db2.gz GNDTYASLTBEILM-UUYOSTAYSA-N -1 0 663.331 6.839 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408775285 1071756403 /nfs/dbraw/zinc/75/64/03/1071756403.db2.gz SAQLZTPEVMCIRQ-WGOQTCKBSA-N -1 0 589.486 6.439 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(OCc4cccc(C(=O)[O-])c4)ccc4ccccc43)cc21 ZINC000409280887 1071760609 /nfs/dbraw/zinc/76/06/09/1071760609.db2.gz MLIIWCDJLMDXGS-UHFFFAOYSA-N -1 0 595.611 7.131 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409280821 1071759726 /nfs/dbraw/zinc/75/97/26/1071759726.db2.gz JYXOFTLQMPUHPD-UHFFFAOYSA-N -1 0 613.852 6.178 40 30 KKEBRM C[C@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409280781 1071763564 /nfs/dbraw/zinc/76/35/64/1071763564.db2.gz KVYXNGQJSKUSAN-INIZCTEOSA-N -1 0 575.419 5.372 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409280319 1071771051 /nfs/dbraw/zinc/77/10/51/1071771051.db2.gz JCCYTHQKSWFRMR-CYBMUJFWSA-N -1 0 642.288 5.194 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000408772412 1071774538 /nfs/dbraw/zinc/77/45/38/1071774538.db2.gz LLOBTMDRZXCQFG-HPIKGWQGSA-N -1 0 618.715 7.078 40 30 KKEBRM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000409280013 1071775818 /nfs/dbraw/zinc/77/58/18/1071775818.db2.gz JAPJQKUABZVYDZ-UHFFFAOYSA-N -1 0 533.260 5.341 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000409279734 1071780940 /nfs/dbraw/zinc/78/09/40/1071780940.db2.gz IAMRBGXMBLMUAZ-NSHDSACASA-N -1 0 527.202 5.323 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409279093 1071790139 /nfs/dbraw/zinc/79/01/39/1071790139.db2.gz GQJGZZJKWHKMCM-GOSISDBHSA-N -1 0 534.012 5.891 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279071 1071789800 /nfs/dbraw/zinc/78/98/00/1071789800.db2.gz FTWZXIJLBWJXOH-UHFFFAOYSA-N -1 0 643.332 6.603 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(O[C@H](C)C(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409278932 1071792232 /nfs/dbraw/zinc/79/22/32/1071792232.db2.gz FXJSNYXJFZHAGH-RUZDIDTESA-N -1 0 606.723 7.036 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1C(C)C ZINC000409278980 1071793045 /nfs/dbraw/zinc/79/30/45/1071793045.db2.gz GLLHPMIVRXHACM-UHFFFAOYSA-N -1 0 670.560 7.434 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409279035 1071793752 /nfs/dbraw/zinc/79/37/52/1071793752.db2.gz HOXZXVYVTYYIOA-AWEZNQCLSA-N -1 0 645.293 7.012 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000409279064 1071794210 /nfs/dbraw/zinc/79/42/10/1071794210.db2.gz FSWCXODHYGSQFD-UHFFFAOYSA-N -1 0 514.763 5.776 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c3)cc21 ZINC000409278836 1071795467 /nfs/dbraw/zinc/79/54/67/1071795467.db2.gz FOLBGXMGGHDZLS-CQSZACIVSA-N -1 0 596.821 5.968 40 30 KKEBRM O=C([O-])c1cccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2I)c1 ZINC000409278542 1071800109 /nfs/dbraw/zinc/80/01/09/1071800109.db2.gz FZDONPQOXZJKRC-UHFFFAOYSA-N -1 0 846.213 7.941 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408768464 1071800995 /nfs/dbraw/zinc/80/09/95/1071800995.db2.gz FXDMNQMHLXTZIE-HZHRSRAPSA-N -1 0 517.925 5.222 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408768171 1071803317 /nfs/dbraw/zinc/80/33/17/1071803317.db2.gz UMRDEBWEZCRJBF-MFKUBSTISA-N -1 0 541.560 5.194 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000409278247 1071805195 /nfs/dbraw/zinc/80/51/95/1071805195.db2.gz FDYHNNCFCCJGPW-UHFFFAOYSA-N -1 0 531.612 6.757 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409278249 1071805324 /nfs/dbraw/zinc/80/53/24/1071805324.db2.gz FEGVZPINQUPPDI-UHFFFAOYSA-N -1 0 684.587 7.825 40 30 KKEBRM C[C@@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409278146 1071808859 /nfs/dbraw/zinc/80/88/59/1071808859.db2.gz DCCDHGFFQYQCJT-QGZVFWFLSA-N -1 0 582.410 6.460 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409277763 1071812220 /nfs/dbraw/zinc/81/22/20/1071812220.db2.gz BYIWMJXGHHNPRZ-UHFFFAOYSA-N -1 0 551.002 6.759 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Cl)cc1 ZINC000409277801 1071813384 /nfs/dbraw/zinc/81/33/84/1071813384.db2.gz CRVRAJYVFLCBRR-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409277831 1071813667 /nfs/dbraw/zinc/81/36/67/1071813667.db2.gz CGUSTVMOTVLOSS-UHFFFAOYSA-N -1 0 544.533 6.379 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(I)c1OCC(=O)[O-] ZINC000409277720 1071817349 /nfs/dbraw/zinc/81/73/49/1071817349.db2.gz CLSYKTXJMTYDEN-UHFFFAOYSA-N -1 0 655.489 5.853 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408780635 1071822507 /nfs/dbraw/zinc/82/25/07/1071822507.db2.gz GTIKDEBLVRLSBI-BUVRLJJBSA-N -1 0 516.981 5.631 40 30 KKEBRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409293904 1071827543 /nfs/dbraw/zinc/82/75/43/1071827543.db2.gz JWFXRBKFDFFEIU-UHFFFAOYSA-N -1 0 524.621 5.670 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409046750 1071830293 /nfs/dbraw/zinc/83/02/93/1071830293.db2.gz LQOGGHCHFHMYKR-UHFFFAOYSA-N -1 0 527.661 6.669 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409293336 1071839697 /nfs/dbraw/zinc/83/96/97/1071839697.db2.gz KDWNEEDBAWTXSM-AWEZNQCLSA-N -1 0 590.352 5.588 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000408785910 1071853645 /nfs/dbraw/zinc/85/36/45/1071853645.db2.gz JQDBVCMFDCHFJN-UFFVCSGVSA-N -1 0 564.823 5.836 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409292470 1071855931 /nfs/dbraw/zinc/85/59/31/1071855931.db2.gz UBIJFSXKDSJHEZ-UHFFFAOYSA-N -1 0 640.136 7.715 40 30 KKEBRM C#CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409043597 1071857068 /nfs/dbraw/zinc/85/70/68/1071857068.db2.gz RWUNPFRMANGPOA-UHFFFAOYSA-N -1 0 530.448 5.776 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408785061 1071859334 /nfs/dbraw/zinc/85/93/34/1071859334.db2.gz XPZSHSXGAVGGNO-BUVRLJJBSA-N -1 0 551.426 6.366 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408784951 1071860792 /nfs/dbraw/zinc/86/07/92/1071860792.db2.gz XCUAEQWLNOLTEG-OEAKJJBVSA-N -1 0 628.850 5.927 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCC(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409292148 1071861344 /nfs/dbraw/zinc/86/13/44/1071861344.db2.gz CSJFEMBYWUCLGS-UHFFFAOYSA-N -1 0 657.359 6.765 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408784663 1071863392 /nfs/dbraw/zinc/86/33/92/1071863392.db2.gz RKRIDDOJSBTODF-OCSSWDANSA-N -1 0 544.611 5.828 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1I)C(=O)[O-] ZINC000409292037 1071864311 /nfs/dbraw/zinc/86/43/11/1071864311.db2.gz FHPLBHQIQDGYAU-ZDUSSCGKSA-N -1 0 739.691 6.406 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409291758 1071871480 /nfs/dbraw/zinc/87/14/80/1071871480.db2.gz DLFIYQKTYPKUPG-LJQANCHMSA-N -1 0 558.591 5.536 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291884 1071867548 /nfs/dbraw/zinc/86/75/48/1071867548.db2.gz DUISSWLEAASSJJ-UHFFFAOYSA-N -1 0 693.337 8.047 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409291907 1071868134 /nfs/dbraw/zinc/86/81/34/1071868134.db2.gz DVGVFWCGDXNUMM-UHFFFAOYSA-N -1 0 525.605 6.002 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409291332 1071875157 /nfs/dbraw/zinc/87/51/57/1071875157.db2.gz AXYXSDLSOWDQSJ-UHFFFAOYSA-N -1 0 511.578 5.612 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1I ZINC000408782606 1071875514 /nfs/dbraw/zinc/87/55/14/1071875514.db2.gz XAQVNPGJEORPLJ-RZNTYIFUSA-N -1 0 675.069 5.558 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OCc3ccc(C(=O)[O-])cc3)c2)cc1C(C)C ZINC000409291515 1071872715 /nfs/dbraw/zinc/87/27/15/1071872715.db2.gz QAIKUZYGLXNVAL-UHFFFAOYSA-N -1 0 575.665 7.053 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408795720 1071881902 /nfs/dbraw/zinc/88/19/02/1071881902.db2.gz MWCJRPPQIZLUKW-AHPASSLASA-N -1 0 612.458 6.267 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c2Br)cc1C(C)C ZINC000409291118 1071882264 /nfs/dbraw/zinc/88/22/64/1071882264.db2.gz WKBGAWXASQBWSY-SFHVURJKSA-N -1 0 656.961 7.053 40 30 KKEBRM CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408795040 1071883642 /nfs/dbraw/zinc/88/36/42/1071883642.db2.gz KXBJUOLBTPSTFS-RUZDIDTESA-N -1 0 651.453 5.709 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408796342 1071879060 /nfs/dbraw/zinc/87/90/60/1071879060.db2.gz XXELPJKQCBQXSU-GXMXPRDMSA-N -1 0 587.879 6.622 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408795935 1071881214 /nfs/dbraw/zinc/88/12/14/1071881214.db2.gz NQYYWQXPFQYDAF-CCWWSCKISA-N -1 0 537.037 6.558 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409290715 1071892002 /nfs/dbraw/zinc/89/20/02/1071892002.db2.gz MXAJDJHFZPLYBX-UHFFFAOYSA-N -1 0 731.587 7.667 40 30 KKEBRM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)c2-c2ccccc2)cc1 ZINC000408793318 1071886955 /nfs/dbraw/zinc/88/69/55/1071886955.db2.gz DXRGZGHDPANRNA-CADJHYNXSA-N -1 0 627.722 7.920 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409290698 1071891273 /nfs/dbraw/zinc/89/12/73/1071891273.db2.gz ALNXSYCGBZKBLY-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408788530 1071897724 /nfs/dbraw/zinc/89/77/24/1071897724.db2.gz KTXNQMNSWRHQLO-RBCJLTSXSA-N -1 0 508.983 5.860 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408788677 1071897847 /nfs/dbraw/zinc/89/78/47/1071897847.db2.gz FYELJZJSDGFVNG-BUVRLJJBSA-N -1 0 545.433 6.040 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409289752 1071905832 /nfs/dbraw/zinc/90/58/32/1071905832.db2.gz OUNJBBBOAMRYCG-UHFFFAOYSA-N -1 0 579.407 5.524 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2I)c1 ZINC000409290306 1071900597 /nfs/dbraw/zinc/90/05/97/1071900597.db2.gz RZRVNJWEXWUCRA-UHFFFAOYSA-N -1 0 720.317 7.336 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408787714 1071900809 /nfs/dbraw/zinc/90/08/09/1071900809.db2.gz FGUZWPHAMRANGV-FWGBRMSSSA-N -1 0 585.451 6.498 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409049443 1071912258 /nfs/dbraw/zinc/91/22/58/1071912258.db2.gz WWHCMLJNKDDZGB-UHFFFAOYSA-N -1 0 627.521 7.251 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)n(Cc3cccc(C(=O)[O-])c3)c3ccccc23)cc1C(C)C ZINC000409289189 1071916621 /nfs/dbraw/zinc/91/66/21/1071916621.db2.gz LGJGLBKRRYWOTO-UHFFFAOYSA-N -1 0 598.703 7.396 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C#N)cc3)c(I)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409054428 1071916710 /nfs/dbraw/zinc/91/67/10/1071916710.db2.gz AAHACXXHCZCLFH-QYZVPPAMSA-N -1 0 721.314 6.278 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409288288 1071930736 /nfs/dbraw/zinc/93/07/36/1071930736.db2.gz FSQBVUJOTCDOBY-MRXNPFEDSA-N -1 0 589.430 5.182 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409287768 1071940756 /nfs/dbraw/zinc/94/07/56/1071940756.db2.gz YZYNTKKPVOLLHQ-UHFFFAOYSA-N -1 0 530.506 6.070 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C1=O ZINC000409053138 1071942365 /nfs/dbraw/zinc/94/23/65/1071942365.db2.gz LEXWWYYIYXJOOI-MYYYXRDXSA-N -1 0 652.519 5.987 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Br)cc1 ZINC000409287401 1071944262 /nfs/dbraw/zinc/94/42/62/1071944262.db2.gz UVIXJBMOFCKGTJ-UHFFFAOYSA-N -1 0 673.317 7.494 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409052903 1071944289 /nfs/dbraw/zinc/94/42/89/1071944289.db2.gz BJHYEWUUQXYCGL-UHFFFAOYSA-N -1 0 721.486 8.714 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409287489 1071945919 /nfs/dbraw/zinc/94/59/19/1071945919.db2.gz VVMGMUGKXJADCQ-UHFFFAOYSA-N -1 0 603.300 6.923 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2OCC(=O)[O-])cc1C(C)C ZINC000409297281 1071949421 /nfs/dbraw/zinc/94/94/21/1071949421.db2.gz TYFBFEPJQUMIMZ-UHFFFAOYSA-N -1 0 564.436 5.612 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409051403 1071951829 /nfs/dbraw/zinc/95/18/29/1071951829.db2.gz LVJVCXQZVJFUEP-DHDCSXOGSA-N -1 0 587.673 5.432 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCC(=O)[O-] ZINC000409296646 1071958436 /nfs/dbraw/zinc/95/84/36/1071958436.db2.gz UOBNDASGKMKEDO-UHFFFAOYSA-N -1 0 557.990 5.936 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccccc2)C2=C1CCCC2=O ZINC000409050160 1071958969 /nfs/dbraw/zinc/95/89/69/1071958969.db2.gz ZQGFQQSRPTZYKR-UHFFFAOYSA-N -1 0 526.416 6.070 40 30 KKEBRM O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409296736 1071955103 /nfs/dbraw/zinc/95/51/03/1071955103.db2.gz IVHVHUWOEVOVHG-UHFFFAOYSA-N -1 0 584.106 6.320 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409296788 1071955663 /nfs/dbraw/zinc/95/56/63/1071955663.db2.gz RLNKSRONBVJAMX-UHFFFAOYSA-N -1 0 731.587 7.667 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409296765 1071955708 /nfs/dbraw/zinc/95/57/08/1071955708.db2.gz IZSNUZLHGSNHGF-UHFFFAOYSA-N -1 0 541.604 5.621 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000409296318 1071962462 /nfs/dbraw/zinc/96/24/62/1071962462.db2.gz QNRDOLFIMSJTQE-UHFFFAOYSA-N -1 0 503.436 5.923 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409296393 1071963367 /nfs/dbraw/zinc/96/33/67/1071963367.db2.gz QWCWGXDATOHZIZ-UHFFFAOYSA-N -1 0 718.314 7.402 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409296425 1071963943 /nfs/dbraw/zinc/96/39/43/1071963943.db2.gz HYYOGRLJIDIUOI-AWEZNQCLSA-N -1 0 596.821 5.968 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 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1071999122 /nfs/dbraw/zinc/99/91/22/1071999122.db2.gz OQADVNFEJJWDCS-UHFFFAOYSA-N -1 0 608.529 6.623 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000409066268 1072003606 /nfs/dbraw/zinc/00/36/06/1072003606.db2.gz KTHJWVCICSVTLS-UHFFFAOYSA-N -1 0 668.600 7.726 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409294127 1071999772 /nfs/dbraw/zinc/99/97/72/1071999772.db2.gz NPVWYJCFEBMURL-UHFFFAOYSA-N -1 0 685.531 7.334 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cccc([N+](=O)[O-])c1[O-] ZINC000409294172 1072000597 /nfs/dbraw/zinc/00/05/97/1072000597.db2.gz AAIOQBJBMFJRIG-UHFFFAOYSA-N -1 0 505.284 5.068 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409065759 1072008236 /nfs/dbraw/zinc/00/82/36/1072008236.db2.gz NAFUEIVGKLPZTF-HZHRSRAPSA-N -1 0 532.980 5.331 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409065788 1072006182 /nfs/dbraw/zinc/00/61/82/1072006182.db2.gz NGNSKSZNHJEKQQ-UHFFFAOYSA-N -1 0 596.551 7.733 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccccc1 ZINC000409065807 1072006223 /nfs/dbraw/zinc/00/62/23/1072006223.db2.gz NJMHCQRFOZJLPA-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000409065888 1072006613 /nfs/dbraw/zinc/00/66/13/1072006613.db2.gz KYDCYGWDFJDQAB-UHFFFAOYSA-N -1 0 501.579 5.162 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409306476 1072013434 /nfs/dbraw/zinc/01/34/34/1072013434.db2.gz PXDACDGUTPVWHY-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409064654 1072013689 /nfs/dbraw/zinc/01/36/89/1072013689.db2.gz DXLAPHGFEKMRTG-UHFFFAOYSA-N -1 0 661.022 8.395 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409306347 1072015232 /nfs/dbraw/zinc/01/52/32/1072015232.db2.gz OXOCQBMDHZCKLY-UHFFFAOYSA-N -1 0 560.050 6.656 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409064931 1072011903 /nfs/dbraw/zinc/01/19/03/1072011903.db2.gz JHWPJBDVWDMWPR-UHFFFAOYSA-N -1 0 584.496 6.859 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409064792 1072012640 /nfs/dbraw/zinc/01/26/40/1072012640.db2.gz GHJZBNPJUABXIN-UHFFFAOYSA-N -1 0 516.432 5.228 40 30 KKEBRM Cc1ccc(COc2ccc3ccccc3c2C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409064606 1072013079 /nfs/dbraw/zinc/01/30/79/1072013079.db2.gz HYSMEQMQQAHZMK-UHFFFAOYSA-N -1 0 591.748 7.888 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000409306458 1072013069 /nfs/dbraw/zinc/01/30/69/1072013069.db2.gz QDWWRDBQIOYSMU-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409063953 1072018494 /nfs/dbraw/zinc/01/84/94/1072018494.db2.gz AXANCYFYZVTCNH-TWKHWXDSSA-N -1 0 574.633 6.248 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O[C@@H](C)C(=O)[O-])cc21 ZINC000409306027 1072018949 /nfs/dbraw/zinc/01/89/49/1072018949.db2.gz YEPAZZIMNMNIMX-HNNXBMFYSA-N -1 0 517.925 5.206 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409060305 1072035448 /nfs/dbraw/zinc/03/54/48/1072035448.db2.gz PKXVASOATJFKBI-LAEMOMJPSA-N -1 0 611.547 8.022 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c3)cc21 ZINC000409305023 1072031962 /nfs/dbraw/zinc/03/19/62/1072031962.db2.gz LJNOKOGRIYMYQH-OAHLLOKOSA-N -1 0 547.951 5.214 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409304906 1072034259 /nfs/dbraw/zinc/03/42/59/1072034259.db2.gz TVVXMUNWAYRDHR-UHFFFAOYSA-N -1 0 634.088 7.750 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409304430 1072040104 /nfs/dbraw/zinc/04/01/04/1072040104.db2.gz KDIGHTBJUHZKHH-UHFFFAOYSA-N -1 0 671.447 6.582 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1Cl ZINC000409074451 1072040478 /nfs/dbraw/zinc/04/04/78/1072040478.db2.gz LUWUTXACKVWZJM-UHFFFAOYSA-N -1 0 671.028 7.850 40 30 KKEBRM Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409077055 1072043308 /nfs/dbraw/zinc/04/33/08/1072043308.db2.gz CVXQEQKQTAODBZ-WPWXZPGNSA-N -1 0 588.173 8.661 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409303744 1072046707 /nfs/dbraw/zinc/04/67/07/1072046707.db2.gz OHPADGFFKIHKDK-KRWDZBQOSA-N -1 0 612.908 6.884 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(OC)c3O[C@@H](C)C(=O)[O-])cc21 ZINC000409303784 1072047334 /nfs/dbraw/zinc/04/73/34/1072047334.db2.gz HYJSNMGFFVZCBM-HNNXBMFYSA-N -1 0 547.951 5.214 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409303473 1072051219 /nfs/dbraw/zinc/05/12/19/1072051219.db2.gz HLUBXFPXEOBXJG-UHFFFAOYSA-N -1 0 584.854 6.104 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409076195 1072053731 /nfs/dbraw/zinc/05/37/31/1072053731.db2.gz ZJQTUFSBZYHKQZ-YZSQISJMSA-N -1 0 561.034 6.111 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409075904 1072056091 /nfs/dbraw/zinc/05/60/91/1072056091.db2.gz VDWBJTMGVIIEKH-UHFFFAOYSA-N -1 0 663.790 7.332 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409075901 1072056310 /nfs/dbraw/zinc/05/63/10/1072056310.db2.gz VCQOXOIAGWIKFY-OEAKJJBVSA-N -1 0 545.523 5.107 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409075805 1072057947 /nfs/dbraw/zinc/05/79/47/1072057947.db2.gz YEMCSQTXKZREIB-UHFFFAOYSA-N -1 0 747.524 9.375 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409075791 1072058027 /nfs/dbraw/zinc/05/80/27/1072058027.db2.gz YCCDMDXHMZYVKF-UHFFFAOYSA-N -1 0 656.197 6.585 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCC(=O)[O-] ZINC000409303084 1072058392 /nfs/dbraw/zinc/05/83/92/1072058392.db2.gz FZOTZDBDLLRPMC-UHFFFAOYSA-N -1 0 538.343 5.471 40 30 KKEBRM C=CCc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075469 1072060180 /nfs/dbraw/zinc/06/01/80/1072060180.db2.gz ZBRGSFBZJCBPMH-UHFFFAOYSA-N -1 0 588.616 6.284 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409075337 1072061704 /nfs/dbraw/zinc/06/17/04/1072061704.db2.gz QXNRQMSSWOTCHK-UHFFFAOYSA-N -1 0 733.621 6.228 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409074840 1072064485 /nfs/dbraw/zinc/06/44/85/1072064485.db2.gz SLVUKHWXDNCEGE-TWKHWXDSSA-N -1 0 606.650 6.777 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074837 1072064504 /nfs/dbraw/zinc/06/45/04/1072064504.db2.gz SJXBHTLHCJEMJL-TWKHWXDSSA-N -1 0 673.143 6.480 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3cccc(Cl)c3)cc2)C2=C1CCCC2=O ZINC000409074898 1072065004 /nfs/dbraw/zinc/06/50/04/1072065004.db2.gz NWOIFZZVEPHOJC-UHFFFAOYSA-N -1 0 505.998 5.807 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000409302466 1072065491 /nfs/dbraw/zinc/06/54/91/1072065491.db2.gz FZQATRMXUYPUAC-UHFFFAOYSA-N -1 0 577.946 6.895 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cccc(OCc3ccc(Br)cc3)c2)C2=C1CCCC2=O ZINC000409074667 1072068295 /nfs/dbraw/zinc/06/82/95/1072068295.db2.gz ULFXYIDWGVSDEW-UHFFFAOYSA-N -1 0 550.449 5.916 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409073283 1072076557 /nfs/dbraw/zinc/07/65/57/1072076557.db2.gz GSGNGSITTRJWFJ-LPYMAVHISA-N -1 0 537.399 5.976 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F ZINC000409074050 1072071227 /nfs/dbraw/zinc/07/12/27/1072071227.db2.gz JWAMGZQIPCBESQ-UHFFFAOYSA-N -1 0 568.041 6.345 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)cc21 ZINC000409302121 1072071691 /nfs/dbraw/zinc/07/16/91/1072071691.db2.gz HNSDRVUAXTUHNZ-UHFFFAOYSA-N -1 0 538.343 5.471 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073754 1072073268 /nfs/dbraw/zinc/07/32/68/1072073268.db2.gz IHHIEKWMHXJSLF-UHFFFAOYSA-N -1 0 654.203 8.512 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409301699 1072074124 /nfs/dbraw/zinc/07/41/24/1072074124.db2.gz DFPXFBADDBOZLJ-UHFFFAOYSA-N -1 0 575.577 5.986 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073575 1072074369 /nfs/dbraw/zinc/07/43/69/1072074369.db2.gz WABLCAKTRGVJKM-LPYMAVHISA-N -1 0 601.464 5.473 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1F ZINC000409073598 1072074827 /nfs/dbraw/zinc/07/48/27/1072074827.db2.gz WHYVXKRVYGEYCC-UHFFFAOYSA-N -1 0 598.465 6.064 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073386 1072075157 /nfs/dbraw/zinc/07/51/57/1072075157.db2.gz YLELMGFXDLFULR-UHFFFAOYSA-N -1 0 571.714 7.068 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409073358 1072075274 /nfs/dbraw/zinc/07/52/74/1072075274.db2.gz HDESYCKIVOTMPG-UHFFFAOYSA-N -1 0 657.399 7.462 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2Cl)cc1 ZINC000409073457 1072075835 /nfs/dbraw/zinc/07/58/35/1072075835.db2.gz VQTBEKNYWRWZQC-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409073492 1072076144 /nfs/dbraw/zinc/07/61/44/1072076144.db2.gz ZKGXELKQPKDNEK-UHFFFAOYSA-N -1 0 656.595 6.295 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2OCC(=O)[O-])cc1C(C)C ZINC000409301585 1072076284 /nfs/dbraw/zinc/07/62/84/1072076284.db2.gz BAYYXCUWGVLPAP-UHFFFAOYSA-N -1 0 550.011 5.512 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409073104 1072077448 /nfs/dbraw/zinc/07/74/48/1072077448.db2.gz OWSRQBKCPZOLKF-UHFFFAOYSA-N -1 0 555.671 6.199 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2I)cc1 ZINC000409301419 1072078067 /nfs/dbraw/zinc/07/80/67/1072078067.db2.gz BCDIDQPORGSSEZ-UHFFFAOYSA-N -1 0 767.317 7.178 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409073152 1072078069 /nfs/dbraw/zinc/07/80/69/1072078069.db2.gz XSDYSMTYNVVBLA-PXLXIMEGSA-N -1 0 516.981 5.631 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409073194 1072078152 /nfs/dbraw/zinc/07/81/52/1072078152.db2.gz YBGUQQYQKKWEPU-UHFFFAOYSA-N -1 0 632.197 7.816 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072881 1072080260 /nfs/dbraw/zinc/08/02/60/1072080260.db2.gz UDQGXZOVHLSMET-UHFFFAOYSA-N -1 0 673.850 8.977 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409072913 1072080400 /nfs/dbraw/zinc/08/04/00/1072080400.db2.gz UGSKMFABAJOBEF-UHFFFAOYSA-N -1 0 574.512 5.635 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409301392 1072081050 /nfs/dbraw/zinc/08/10/50/1072081050.db2.gz CGFXQQARHKCRDT-ZDUSSCGKSA-N -1 0 631.266 6.622 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409072522 1072081913 /nfs/dbraw/zinc/08/19/13/1072081913.db2.gz SKLMZKXYXLDGNH-UHFFFAOYSA-N -1 0 661.817 6.742 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000409301199 1072082326 /nfs/dbraw/zinc/08/23/26/1072082326.db2.gz AFRFLZIPLAFVEI-UHFFFAOYSA-N -1 0 560.994 6.165 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccccc1F ZINC000409072385 1072082630 /nfs/dbraw/zinc/08/26/30/1072082630.db2.gz BYHRSSCLLBBDAW-UHFFFAOYSA-N -1 0 519.569 5.301 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409072417 1072083178 /nfs/dbraw/zinc/08/31/78/1072083178.db2.gz NJZHMXBTESOBKU-UHFFFAOYSA-N -1 0 563.672 5.225 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409071940 1072085897 /nfs/dbraw/zinc/08/58/97/1072085897.db2.gz QVCQTSKHFWFXNE-UHFFFAOYSA-N -1 0 699.480 8.584 40 30 KKEBRM C[C@@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409300795 1072088058 /nfs/dbraw/zinc/08/80/58/1072088058.db2.gz ACFNGPMVMAIZHL-CQSZACIVSA-N -1 0 560.326 5.579 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409071559 1072088562 /nfs/dbraw/zinc/08/85/62/1072088562.db2.gz KDPKKYZPVNTWSV-UHFFFAOYSA-N -1 0 521.654 5.593 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071414 1072089855 /nfs/dbraw/zinc/08/98/55/1072089855.db2.gz ODIRJKYJQBBQEB-KGENOOAVSA-N -1 0 547.951 5.231 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409071221 1072090425 /nfs/dbraw/zinc/09/04/25/1072090425.db2.gz IRMUYFSTSSQGHI-UHFFFAOYSA-N -1 0 502.007 5.127 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409300309 1072092469 /nfs/dbraw/zinc/09/24/69/1072092469.db2.gz VYXIEOGBPLSFIF-UHFFFAOYSA-N -1 0 551.643 6.341 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409070940 1072092565 /nfs/dbraw/zinc/09/25/65/1072092565.db2.gz HNKKALJUPKRRMM-UHFFFAOYSA-N -1 0 606.159 7.130 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409070816 1072093196 /nfs/dbraw/zinc/09/31/96/1072093196.db2.gz ZKUHVNDYOZZVKW-AJBULDERSA-N -1 0 633.657 6.546 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409070584 1072093533 /nfs/dbraw/zinc/09/35/33/1072093533.db2.gz ZVPRIVNTUBBFRA-LPYMAVHISA-N -1 0 585.871 7.019 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC ZINC000409070611 1072093718 /nfs/dbraw/zinc/09/37/18/1072093718.db2.gz CSORSBRLCUDXLA-UHFFFAOYSA-N -1 0 549.708 6.373 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409300163 1072094341 /nfs/dbraw/zinc/09/43/41/1072094341.db2.gz XJGWENLIBNFIFN-UHFFFAOYSA-N -1 0 565.380 5.350 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409300193 1072094616 /nfs/dbraw/zinc/09/46/16/1072094616.db2.gz XQUJEJHLZUKNED-UHFFFAOYSA-N -1 0 715.500 6.981 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1F ZINC000409070472 1072094836 /nfs/dbraw/zinc/09/48/36/1072094836.db2.gz YDDYUWLOEKIADO-UHFFFAOYSA-N -1 0 715.600 7.568 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C)cc1 ZINC000409070579 1072095416 /nfs/dbraw/zinc/09/54/16/1072095416.db2.gz ZTMQIWFZYHBLKT-UHFFFAOYSA-N -1 0 641.502 6.075 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C2=C1CCCC2=O ZINC000409069859 1072098791 /nfs/dbraw/zinc/09/87/91/1072098791.db2.gz AVRRDZKXPUMQLK-UHFFFAOYSA-N -1 0 574.888 7.114 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409299686 1072098840 /nfs/dbraw/zinc/09/88/40/1072098840.db2.gz RNHGEZSMGNSRRX-CQSZACIVSA-N -1 0 643.821 5.810 40 30 KKEBRM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409070397 1072096178 /nfs/dbraw/zinc/09/61/78/1072096178.db2.gz ZDASYBSDQACUEE-UHFFFAOYSA-N -1 0 520.453 6.162 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000409070388 1072096291 /nfs/dbraw/zinc/09/62/91/1072096291.db2.gz GAKKYUNHKZVILK-UHFFFAOYSA-N -1 0 646.611 8.886 40 30 KKEBRM O=C([O-])COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409300055 1072096442 /nfs/dbraw/zinc/09/64/42/1072096442.db2.gz UDMJVWNEDWNVRW-UHFFFAOYSA-N -1 0 552.768 5.571 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409070174 1072096501 /nfs/dbraw/zinc/09/65/01/1072096501.db2.gz NGMDAYOORMJQIX-NDZAJKAJSA-N -1 0 609.078 6.902 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409069897 1072099223 /nfs/dbraw/zinc/09/92/23/1072099223.db2.gz YLISBMQOWFVQEI-UHFFFAOYSA-N -1 0 550.051 6.124 40 30 KKEBRM COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000409069781 1072100367 /nfs/dbraw/zinc/10/03/67/1072100367.db2.gz AEWJIAUYQMNHJM-UHFFFAOYSA-N -1 0 530.459 5.618 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069843 1072100521 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O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2c(OCc3ccc(F)cc3)ccc3ccccc32)C2=C1CCCC2=O ZINC000409067816 1072114823 /nfs/dbraw/zinc/11/48/23/1072114823.db2.gz QAWLZNZRUMQDLO-UHFFFAOYSA-N -1 0 539.603 6.446 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409299148 1072109341 /nfs/dbraw/zinc/10/93/41/1072109341.db2.gz YTBLHXWNWZSRRJ-UHFFFAOYSA-N -1 0 507.388 5.270 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409068612 1072110271 /nfs/dbraw/zinc/11/02/71/1072110271.db2.gz SCDJWSLLYMVDJH-UHFFFAOYSA-N -1 0 647.790 6.352 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCC(=O)[O-])c1 ZINC000409068675 1072110737 /nfs/dbraw/zinc/11/07/37/1072110737.db2.gz USWLWWGOZQQLHJ-UHFFFAOYSA-N -1 0 527.661 6.078 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 ZINC000409068006 1072114407 /nfs/dbraw/zinc/11/44/07/1072114407.db2.gz GTKXUZFOGDNFFH-UHFFFAOYSA-N 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RBMOYCYWMFDEMP-OEAKJJBVSA-N -1 0 561.978 5.621 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409067769 1072116199 /nfs/dbraw/zinc/11/61/99/1072116199.db2.gz RDTYTIDFKOHDHF-KGENOOAVSA-N -1 0 534.971 5.770 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067640 1072116987 /nfs/dbraw/zinc/11/69/87/1072116987.db2.gz QGGDVUYNINNBRQ-UHFFFAOYSA-N -1 0 579.089 7.416 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2[N+](=O)[O-])cc1 ZINC000409297840 1072127624 /nfs/dbraw/zinc/12/76/24/1072127624.db2.gz MREVKILSKAHVDJ-UHFFFAOYSA-N -1 0 718.314 7.402 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409297834 1072127637 /nfs/dbraw/zinc/12/76/37/1072127637.db2.gz XTIFDZLHCNEMCF-UHFFFAOYSA-N -1 0 574.590 5.156 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409297749 1072130864 /nfs/dbraw/zinc/13/08/64/1072130864.db2.gz LAECVIUGAOYDCW-UHFFFAOYSA-N -1 0 630.249 5.552 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cccc2[N+](=O)[O-])cc1 ZINC000409297441 1072135072 /nfs/dbraw/zinc/13/50/72/1072135072.db2.gz KPDNALJUSDMGMX-UHFFFAOYSA-N -1 0 588.498 6.150 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC000409315308 1072135390 /nfs/dbraw/zinc/13/53/90/1072135390.db2.gz UWELPCZGLVIZJV-OAHLLOKOSA-N -1 0 722.228 7.366 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409315134 1072136657 /nfs/dbraw/zinc/13/66/57/1072136657.db2.gz IKWLTAUTGFMQBX-MRXNPFEDSA-N -1 0 643.332 6.603 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409079164 1072138590 /nfs/dbraw/zinc/13/85/90/1072138590.db2.gz KFZKIUZKCKFSFV-QIRQOOSRSA-N -1 0 553.728 8.008 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409078732 1072143078 /nfs/dbraw/zinc/14/30/78/1072143078.db2.gz HZJRYZVQFQPHEO-VQANHIGESA-N -1 0 618.755 7.764 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409314384 1072144939 /nfs/dbraw/zinc/14/49/39/1072144939.db2.gz FYGZOWCPVSJZSK-CQSZACIVSA-N -1 0 562.848 5.603 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409314168 1072145737 /nfs/dbraw/zinc/14/57/37/1072145737.db2.gz RSPMQYKXPOMLLC-INIZCTEOSA-N -1 0 609.433 5.749 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409314153 1072145763 /nfs/dbraw/zinc/14/57/63/1072145763.db2.gz RQTVTBSIXFNLCY-UHFFFAOYSA-N -1 0 653.577 7.774 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409313492 1072152429 /nfs/dbraw/zinc/15/24/29/1072152429.db2.gz BWDKXLJCXUMCTR-KRWDZBQOSA-N -1 0 564.436 5.841 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409077671 1072153197 /nfs/dbraw/zinc/15/31/97/1072153197.db2.gz GKSJUOIGUBNFJO-ZQYOCUCXSA-N -1 0 615.505 7.544 40 30 KKEBRM CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409086986 1072160106 /nfs/dbraw/zinc/16/01/06/1072160106.db2.gz SJOFBUCPGVGWQK-FZVXQAMESA-N -1 0 537.037 6.640 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409313187 1072154249 /nfs/dbraw/zinc/15/42/49/1072154249.db2.gz ORUYNFSHTKTOMG-MRXNPFEDSA-N -1 0 568.855 6.485 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409086701 1072163353 /nfs/dbraw/zinc/16/33/53/1072163353.db2.gz AOLOYJIMAGGLNA-UHFFFAOYSA-N -1 0 638.073 7.109 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000409311926 1072165029 /nfs/dbraw/zinc/16/50/29/1072165029.db2.gz HZRVVGKTDLFMDR-UHFFFAOYSA-N -1 0 521.415 5.408 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000409311946 1072165732 /nfs/dbraw/zinc/16/57/32/1072165732.db2.gz IPPKHGFWNQVSGO-QWHCGFSZSA-N -1 0 551.235 5.169 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409086258 1072168675 /nfs/dbraw/zinc/16/86/75/1072168675.db2.gz QEYQKMHPDDAWCG-UHFFFAOYSA-N -1 0 695.518 8.873 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409311012 1072177482 /nfs/dbraw/zinc/17/74/82/1072177482.db2.gz XUIDCXPVWNGTKG-UHFFFAOYSA-N -1 0 627.717 5.977 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409311516 1072170556 /nfs/dbraw/zinc/17/05/56/1072170556.db2.gz GSRULUTYLRNCAT-INIZCTEOSA-N -1 0 579.407 5.740 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085283 1072180462 /nfs/dbraw/zinc/18/04/62/1072180462.db2.gz ZDVMBNXFHRXAAB-FYJGNVAPSA-N -1 0 597.502 5.818 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409310458 1072180685 /nfs/dbraw/zinc/18/06/85/1072180685.db2.gz BGBCSOZMQWYWTN-UHFFFAOYSA-N -1 0 557.448 6.085 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(I)c([O-])c(I)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084635 1072186447 /nfs/dbraw/zinc/18/64/47/1072186447.db2.gz PVKLLUWXHBPJPJ-YJDIGNJUSA-N -1 0 718.826 8.470 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 ZINC000409084460 1072187931 /nfs/dbraw/zinc/18/79/31/1072187931.db2.gz XZQRXFAFQKPOJJ-BXLPJFAKSA-N -1 0 512.679 6.893 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084304 1072189689 /nfs/dbraw/zinc/18/96/89/1072189689.db2.gz BDIPAUODVWDMRK-HYARGMPZSA-N -1 0 611.529 6.208 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084368 1072190267 /nfs/dbraw/zinc/19/02/67/1072190267.db2.gz BJANOTQCRFDHHC-HYARGMPZSA-N -1 0 611.529 6.208 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)[O-])c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409083864 1072197716 /nfs/dbraw/zinc/19/77/16/1072197716.db2.gz VXECPWUIKWXPIY-RXXZHPLBSA-N -1 0 569.521 7.128 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000409308985 1072199709 /nfs/dbraw/zinc/19/97/09/1072199709.db2.gz ZXDYBFQGBHZDLJ-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1 ZINC000409308793 1072201134 /nfs/dbraw/zinc/20/11/34/1072201134.db2.gz YNLYHIZKOPIGBU-UHFFFAOYSA-N -1 0 663.311 8.038 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(I)cc(I)c3[O-])sc2C1 ZINC000409083350 1072201536 /nfs/dbraw/zinc/20/15/36/1072201536.db2.gz SNWZXEXNOVMIAW-ZCUUTASWSA-N -1 0 590.268 6.436 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCC(=O)[O-])c(I)c2)cc1C(C)C ZINC000409308597 1072202398 /nfs/dbraw/zinc/20/23/98/1072202398.db2.gz XZYDEQIKUOUWIL-UHFFFAOYSA-N -1 0 751.359 6.449 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C2=C1CCCC2=O ZINC000409083031 1072204276 /nfs/dbraw/zinc/20/42/76/1072204276.db2.gz RTQAUCMBXYZSAA-UHFFFAOYSA-N -1 0 728.312 7.819 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000409308460 1072205139 /nfs/dbraw/zinc/20/51/39/1072205139.db2.gz YLXOKQLSJPLULW-UHFFFAOYSA-N -1 0 560.994 6.165 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc2Cl)c1 ZINC000409308369 1072208204 /nfs/dbraw/zinc/20/82/04/1072208204.db2.gz XBIGCTORBBIQEF-UHFFFAOYSA-N -1 0 663.311 8.038 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082180 1072214933 /nfs/dbraw/zinc/21/49/33/1072214933.db2.gz POHPMHVUNVOKMZ-FYJGNVAPSA-N -1 0 576.493 5.228 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409308216 1072210214 /nfs/dbraw/zinc/21/02/14/1072210214.db2.gz XQHZKPGJSLHSKN-UHFFFAOYSA-N -1 0 599.825 6.003 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409308362 1072207754 /nfs/dbraw/zinc/20/77/54/1072207754.db2.gz XGPYEULAAMAYPS-UHFFFAOYSA-N -1 0 663.311 8.038 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409081970 1072215985 /nfs/dbraw/zinc/21/59/85/1072215985.db2.gz LLNHBJRBKRBDJI-UHFFFAOYSA-N -1 0 705.524 8.329 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409307793 1072217433 /nfs/dbraw/zinc/21/74/33/1072217433.db2.gz UYSGUDRXZSQASW-MRXNPFEDSA-N -1 0 606.429 5.714 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409307790 1072217460 /nfs/dbraw/zinc/21/74/60/1072217460.db2.gz UYSGUDRXZSQASW-INIZCTEOSA-N -1 0 606.429 5.714 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1O[C@H](C)C(=O)[O-] ZINC000409307486 1072221911 /nfs/dbraw/zinc/22/19/11/1072221911.db2.gz VBPCIVGPKFYZJX-CQSZACIVSA-N -1 0 641.272 6.077 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409081334 1072224980 /nfs/dbraw/zinc/22/49/80/1072224980.db2.gz PNTCAISKXJFEKM-UHFFFAOYSA-N -1 0 624.046 6.719 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000409316773 1072228171 /nfs/dbraw/zinc/22/81/71/1072228171.db2.gz ZTQDIAQAMKHWIQ-UHFFFAOYSA-N -1 0 520.383 5.271 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC000409316206 1072232738 /nfs/dbraw/zinc/23/27/38/1072232738.db2.gz LQHQEBJUBWLPAJ-LLVKDONJSA-N -1 0 571.653 5.434 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409315739 1072237209 /nfs/dbraw/zinc/23/72/09/1072237209.db2.gz WQLOJMWGZYMWMQ-UHFFFAOYSA-N -1 0 520.383 5.271 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)[O-])ccc2ccccc21 ZINC000409327255 1072241079 /nfs/dbraw/zinc/24/10/79/1072241079.db2.gz RUGXKIFQYSGFKU-HNNXBMFYSA-N -1 0 508.372 5.171 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2Br)cc1 ZINC000409094241 1072246811 /nfs/dbraw/zinc/24/68/11/1072246811.db2.gz CPJLMEJVRFSICV-LUOAPIJWSA-N -1 0 538.276 6.099 40 30 KKEBRM C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409325700 1072254589 /nfs/dbraw/zinc/25/45/89/1072254589.db2.gz ZTHUYLKHRILCFF-UHFFFAOYSA-N -1 0 604.501 6.398 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409326107 1072249898 /nfs/dbraw/zinc/24/98/98/1072249898.db2.gz GWIXTFLJEVAQKJ-UHFFFAOYSA-N -1 0 597.513 7.099 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000409325788 1072252775 /nfs/dbraw/zinc/25/27/75/1072252775.db2.gz BBBXHDNQADKRQC-UHFFFAOYSA-N -1 0 528.790 5.995 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000409324980 1072260677 /nfs/dbraw/zinc/26/06/77/1072260677.db2.gz WJOWDGFIGFTFEX-NSHDSACASA-N -1 0 527.202 5.152 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)c2C(=O)NCc2ccco2)C1 ZINC000409092320 1072264387 /nfs/dbraw/zinc/26/43/87/1072264387.db2.gz UHIBPVPPGIWYIJ-RCASGSTKSA-N -1 0 570.711 7.450 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091665 1072269177 /nfs/dbraw/zinc/26/91/77/1072269177.db2.gz SVWXYWOXHNXNCN-UDWIEESQSA-N -1 0 612.473 5.718 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090927 1072276122 /nfs/dbraw/zinc/27/61/22/1072276122.db2.gz NUCXQMYCYFMAKZ-UHFFFAOYSA-N -1 0 633.654 6.464 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409323887 1072272201 /nfs/dbraw/zinc/27/22/01/1072272201.db2.gz QBBHTWJABZGDHJ-GOSISDBHSA-N -1 0 557.448 6.256 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090774 1072277496 /nfs/dbraw/zinc/27/74/96/1072277496.db2.gz ONFZKXJJJRRXDQ-UHFFFAOYSA-N -1 0 759.550 7.069 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409090674 1072279295 /nfs/dbraw/zinc/27/92/95/1072279295.db2.gz NCVHHEBSEWFLTP-ZRZGVWNLSA-N -1 0 601.168 8.833 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090296 1072281115 /nfs/dbraw/zinc/28/11/15/1072281115.db2.gz MDZOXUZHANHNER-UHFFFAOYSA-N -1 0 696.719 8.303 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3/S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)cc2Br)cc1 ZINC000409090426 1072282640 /nfs/dbraw/zinc/28/26/40/1072282640.db2.gz PKTLCGHIJSAWBM-DYJLSCTESA-N -1 0 692.429 8.162 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409322363 1072284419 /nfs/dbraw/zinc/28/44/19/1072284419.db2.gz JMRITZWAVAWVNV-MRXNPFEDSA-N -1 0 598.881 6.494 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409322067 1072286692 /nfs/dbraw/zinc/28/66/92/1072286692.db2.gz VWXMBCVCGGLGMA-OAHLLOKOSA-N -1 0 658.303 6.503 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409321902 1072287416 /nfs/dbraw/zinc/28/74/16/1072287416.db2.gz HSPPZPXJOWPXKZ-INIZCTEOSA-N -1 0 613.306 6.594 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl)C(=O)[O-] ZINC000409321592 1072289868 /nfs/dbraw/zinc/28/98/68/1072289868.db2.gz GZNPHRIUVSVEAX-CYBMUJFWSA-N -1 0 567.267 6.248 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409321577 1072289967 /nfs/dbraw/zinc/28/99/67/1072289967.db2.gz GVPBDHDKDMRGBV-SFHVURJKSA-N -1 0 582.495 6.068 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409089346 1072290274 /nfs/dbraw/zinc/29/02/74/1072290274.db2.gz MBGOZKSZWCVVGQ-IBSCZOEOSA-N -1 0 697.378 7.886 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409088747 1072295791 /nfs/dbraw/zinc/29/57/91/1072295791.db2.gz XYORADGFJAEZCD-TVXOXPGUSA-N -1 0 575.130 8.822 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409321287 1072292637 /nfs/dbraw/zinc/29/26/37/1072292637.db2.gz STHKOIKCKVHBNI-NSHDSACASA-N -1 0 571.653 5.262 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Br)cc(Br)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409089002 1072292703 /nfs/dbraw/zinc/29/27/03/1072292703.db2.gz GVXMHSDOUIJRKH-YJDIGNJUSA-N -1 0 624.826 8.786 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000409320668 1072300175 /nfs/dbraw/zinc/30/01/75/1072300175.db2.gz QUGUVSGSNCCVKW-UHFFFAOYSA-N -1 0 507.388 5.099 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000409320370 1072302986 /nfs/dbraw/zinc/30/29/86/1072302986.db2.gz AONSGPICYJAVDZ-NWDGAFQWSA-N -1 0 596.232 5.077 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Br)c([O-])c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409087668 1072304869 /nfs/dbraw/zinc/30/48/69/1072304869.db2.gz DCJBSUMLSNCDFL-YJDIGNJUSA-N -1 0 624.826 8.786 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409318795 1072315889 /nfs/dbraw/zinc/31/58/89/1072315889.db2.gz ZPXVNTBMLSXJQC-UHFFFAOYSA-N -1 0 613.852 6.223 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409318880 1072316619 /nfs/dbraw/zinc/31/66/19/1072316619.db2.gz YLVWCFWKZOGANK-KRWDZBQOSA-N -1 0 623.460 6.139 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409317507 1072326852 /nfs/dbraw/zinc/32/68/52/1072326852.db2.gz UQHBLZXFSRDIGZ-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409336576 1072331100 /nfs/dbraw/zinc/33/11/00/1072331100.db2.gz PTRLPPAWVCVFFS-TULHVXHQSA-N -1 0 510.597 5.404 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccccc3OCc3ccc(Br)cc3)SC2=N)s1 ZINC000409336566 1072331186 /nfs/dbraw/zinc/33/11/86/1072331186.db2.gz PSDYZLVTYBHTCI-ANFUGJHOSA-N -1 0 500.443 5.860 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OCc4cccc5ccccc54)c(I)c3)SC2=N)s1 ZINC000409336578 1072331231 /nfs/dbraw/zinc/33/12/31/1072331231.db2.gz PVJBIEMCBBMNMP-PBWRWAKQSA-N -1 0 723.399 7.460 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)SC2=N)s1 ZINC000409336353 1072331676 /nfs/dbraw/zinc/33/16/76/1072331676.db2.gz NUTFPMSTIRFLQR-BNEKJOKISA-N -1 0 550.503 7.013 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)SC2=N)s1 ZINC000409336244 1072333053 /nfs/dbraw/zinc/33/30/53/1072333053.db2.gz MVRSZKKMSDGHHH-AWQJBHPZSA-N -1 0 534.448 5.531 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)SC2=N)s1 ZINC000409335670 1072337575 /nfs/dbraw/zinc/33/75/75/1072337575.db2.gz LHWSPDVEAAQSHT-FUMQATMRSA-N -1 0 555.479 5.740 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409334468 1072345887 /nfs/dbraw/zinc/34/58/87/1072345887.db2.gz LWAWVMJBSKFZOB-OAHLLOKOSA-N -1 0 587.427 5.248 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409334064 1072349409 /nfs/dbraw/zinc/34/94/09/1072349409.db2.gz RITBLNVBDXQKNT-INIZCTEOSA-N -1 0 691.804 7.647 40 30 KKEBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[N-]C1=S ZINC000409104389 1072355273 /nfs/dbraw/zinc/35/52/73/1072355273.db2.gz YTFHHDPJAADANW-LPYMAVHISA-N -1 0 511.006 5.354 40 30 KKEBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=N)C(c4nnc(CC)s4)=C3[O-])c1C)CCCC2 ZINC000409333112 1072355520 /nfs/dbraw/zinc/35/55/20/1072355520.db2.gz CEFMECZODLSFNC-RPVZCHRCSA-N -1 0 540.736 6.043 40 30 KKEBRM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=N)C(c4nnc(CC)s4)=C3[O-])c1C)CCCC2 ZINC000409333109 1072355641 /nfs/dbraw/zinc/35/56/41/1072355641.db2.gz CEFMECZODLSFNC-LXVUIJIVSA-N -1 0 540.736 6.043 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409333155 1072355926 /nfs/dbraw/zinc/35/59/26/1072355926.db2.gz IZSUDDZAJKYMIF-UHFFFAOYSA-N -1 0 594.462 5.678 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccccc1Cl ZINC000409333063 1072356796 /nfs/dbraw/zinc/35/67/96/1072356796.db2.gz BPIGVXMIKCMGPM-XRSHBMEUSA-N -1 0 500.045 6.149 40 30 KKEBRM C=CCc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409103425 1072361440 /nfs/dbraw/zinc/36/14/40/1072361440.db2.gz WLVQFOKXIFNEJW-IBBHUPRXSA-N -1 0 543.498 6.464 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409332023 1072365562 /nfs/dbraw/zinc/36/55/62/1072365562.db2.gz JHQSARWHKKPISE-CHWSQXEVSA-N -1 0 674.184 6.330 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)SC2=Nc2ccccc2)cc1 ZINC000409102943 1072363743 /nfs/dbraw/zinc/36/37/43/1072363743.db2.gz BXJJSPKTMYPVHP-LGSKZASQSA-N -1 0 501.583 5.928 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2I)cc1 ZINC000409102936 1072363766 /nfs/dbraw/zinc/36/37/66/1072363766.db2.gz WULNSWAXHFUKQW-ORBVJSQLSA-N -1 0 711.172 6.546 40 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/nfs/dbraw/zinc/68/10/43/1072681043.db2.gz BFKMVGLDEIQIOT-SFTDATJTSA-N -1 0 594.420 5.070 40 30 KKEBRM N#Cc1c(/N=C/c2cc(I)c([O-])c(I)c2)oc(-c2ccco2)c1-c1ccco1 ZINC000409386847 1072684035 /nfs/dbraw/zinc/68/40/35/1072684035.db2.gz NTXICZJOYIZPPR-YSURURNPSA-N -1 0 596.118 6.337 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386589 1072685670 /nfs/dbraw/zinc/68/56/70/1072685670.db2.gz VIOSIPNOWCGCJU-TZSBWULGSA-N -1 0 593.661 6.893 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)SC1=Nc1ccccc1 ZINC000409386603 1072686168 /nfs/dbraw/zinc/68/61/68/1072686168.db2.gz VOWGGBVJDYLHRB-CLHPWSKPSA-N -1 0 522.579 5.206 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386625 1072686174 /nfs/dbraw/zinc/68/61/74/1072686174.db2.gz VYFOCXZVLXWFQV-UHJIOYGOSA-N -1 0 540.597 6.370 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386366 1072688144 /nfs/dbraw/zinc/68/81/44/1072688144.db2.gz PTIOSGOBRYOSDH-XKZIYDEJSA-N -1 0 505.665 6.241 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000409398799 1072751094 /nfs/dbraw/zinc/75/10/94/1072751094.db2.gz CVFZUFIQOPSIDT-GRSHGNNSSA-N -1 0 508.759 5.015 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409406885 1072755616 /nfs/dbraw/zinc/75/56/16/1072755616.db2.gz RKJRVABAOGHWPL-UHFFFAOYSA-N -1 0 535.556 5.240 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409406711 1072756079 /nfs/dbraw/zinc/75/60/79/1072756079.db2.gz YJXAJVXTLWMKAS-UHFFFAOYSA-N -1 0 554.002 6.275 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409406605 1072757530 /nfs/dbraw/zinc/75/75/30/1072757530.db2.gz XXNCZOKGTQWIEP-NRFANRHFSA-N -1 0 506.562 5.205 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409406261 1072758758 /nfs/dbraw/zinc/75/87/58/1072758758.db2.gz WYDVIQJVFWHQKC-UHFFFAOYSA-N -1 0 568.633 6.630 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409406270 1072758928 /nfs/dbraw/zinc/75/89/28/1072758928.db2.gz WZGPGEUHLATKSY-UHFFFAOYSA-N -1 0 525.564 6.376 40 30 KKEBRM COc1cccc(/C=N\c2ccc(I)c(C)c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186589 1072761911 /nfs/dbraw/zinc/76/19/11/1072761911.db2.gz FECHRBGHPGLYKJ-MXAYSNPKSA-N -1 0 501.320 5.636 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)cc1 ZINC000409405410 1072762516 /nfs/dbraw/zinc/76/25/16/1072762516.db2.gz UMWCJXCGPDLBPW-UHFFFAOYSA-N -1 0 554.400 5.985 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409404267 1072767375 /nfs/dbraw/zinc/76/73/75/1072767375.db2.gz OZCRJXJOCUHOPC-UHFFFAOYSA-N -1 0 598.453 6.384 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)c1 ZINC000409403945 1072768147 /nfs/dbraw/zinc/76/81/47/1072768147.db2.gz NWKPOLWFMYOMFX-UHFFFAOYSA-N -1 0 554.400 5.985 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409402642 1072774948 /nfs/dbraw/zinc/77/49/48/1072774948.db2.gz INTSYDVUDZQKDJ-UHFFFAOYSA-N -1 0 539.975 5.885 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409402297 1072776348 /nfs/dbraw/zinc/77/63/48/1072776348.db2.gz DTVVSDQLLPDVTI-UHFFFAOYSA-N -1 0 677.349 7.147 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000409402330 1072776802 /nfs/dbraw/zinc/77/68/02/1072776802.db2.gz DVUIEKZIBIFXJT-UHFFFAOYSA-N -1 0 520.501 5.131 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409402268 1072777636 /nfs/dbraw/zinc/77/76/36/1072777636.db2.gz GYSOIZLVECVOAB-UHFFFAOYSA-N -1 0 663.322 6.757 40 30 KKEBRM C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC000409401854 1072778517 /nfs/dbraw/zinc/77/85/17/1072778517.db2.gz FMGJGJWGUSBZDI-AWEZNQCLSA-N -1 0 526.774 5.214 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409401212 1072782000 /nfs/dbraw/zinc/78/20/00/1072782000.db2.gz CREQWFKIRSCIQX-UHFFFAOYSA-N -1 0 512.569 5.955 40 30 KKEBRM CC1CCN(S(=O)([O-])=C2C=CC(=NC(=O)CSc3ncnc4sc5c(c43)CC[C@@H](C(C)(C)C)C5)C=C2)CC1 ZINC000409415948 1072785335 /nfs/dbraw/zinc/78/53/35/1072785335.db2.gz BIGUOUZZMLNQNE-LJQANCHMSA-N -1 0 572.822 5.605 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(CC=C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181458 1072797491 /nfs/dbraw/zinc/79/74/91/1072797491.db2.gz AUNBASUVTMWRCK-KZFDVOOGSA-N -1 0 816.774 8.848 40 30 KKEBRM COc1cccc(/C=C2\SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187437 1072824169 /nfs/dbraw/zinc/82/41/69/1072824169.db2.gz QIRMNMHPZPLEPT-NHDPSOOVSA-N -1 0 573.852 6.280 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1 ZINC000409187512 1072824213 /nfs/dbraw/zinc/82/42/13/1072824213.db2.gz RKKGAJPEPFYMDA-OPEKNORGSA-N -1 0 523.608 6.893 40 30 KKEBRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F ZINC000409444193 1072915112 /nfs/dbraw/zinc/91/51/12/1072915112.db2.gz TVTXCJFHQKSQQM-RQJGXFNESA-N -1 0 616.492 6.939 40 30 KKEBRM COc1cc(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531099673 1072928562 /nfs/dbraw/zinc/92/85/62/1072928562.db2.gz LAYDWGCWDPHGGP-AQLQTECXSA-N -1 0 598.881 6.278 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531099906 1072929014 /nfs/dbraw/zinc/92/90/14/1072929014.db2.gz BPXMYDXSLIFAQB-BVMLUPFRSA-N -1 0 623.460 5.923 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCC(=O)[O-])cc1 ZINC001531100033 1072929553 /nfs/dbraw/zinc/92/95/53/1072929553.db2.gz PYPRMBIKYIFLPN-NUJZUDFISA-N -1 0 551.441 5.210 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC001531109766 1072930928 /nfs/dbraw/zinc/93/09/28/1072930928.db2.gz ADGPNZUTGMHTNC-FDVSRXAVSA-N -1 0 534.410 5.616 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531109821 1072931859 /nfs/dbraw/zinc/93/18/59/1072931859.db2.gz QRPHATAOHGUYIX-MNDYBZJGSA-N -1 0 564.436 5.625 40 30 KKEBRM C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC001531123975 1072937180 /nfs/dbraw/zinc/93/71/80/1072937180.db2.gz RAXHNSPUBOARKU-YFNFKTFJSA-N -1 0 556.457 5.318 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531146959 1072944067 /nfs/dbraw/zinc/94/40/67/1072944067.db2.gz CMQSHFAHPKIRKU-BVMLUPFRSA-N -1 0 623.460 5.923 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001531161822 1072949799 /nfs/dbraw/zinc/94/97/99/1072949799.db2.gz BJTHDRTWNNENGJ-BVMLUPFRSA-N -1 0 557.448 6.040 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531169412 1072952583 /nfs/dbraw/zinc/95/25/83/1072952583.db2.gz IUYSXTMNMZZKNL-YNFMAFFXSA-N -1 0 658.303 6.287 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531177741 1072955282 /nfs/dbraw/zinc/95/52/82/1072955282.db2.gz BFKSUPAJXDJZDQ-AMVVHIIESA-N -1 0 584.854 5.933 40 30 KKEBRM COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409213499 1072955933 /nfs/dbraw/zinc/95/59/33/1072955933.db2.gz PHSOPTJXHRKPRC-OCSSWDANSA-N -1 0 579.390 7.120 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531192153 1072959801 /nfs/dbraw/zinc/95/98/01/1072959801.db2.gz IOWXUPOKOWUKQZ-AMVVHIIESA-N -1 0 676.305 5.884 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531198013 1072964282 /nfs/dbraw/zinc/96/42/82/1072964282.db2.gz ZAFKNAYLOVENKB-AQLQTECXSA-N -1 0 598.881 6.278 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531209892 1072968258 /nfs/dbraw/zinc/96/82/58/1072968258.db2.gz LWLIAPMYNBTQLB-NUJZUDFISA-N -1 0 579.407 5.524 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c([O-])c(I)c1 ZINC001531226834 1072975802 /nfs/dbraw/zinc/97/58/02/1072975802.db2.gz HOBRROPFUKYBBX-SRIQITJBSA-N -1 0 652.068 5.470 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001531230344 1072980410 /nfs/dbraw/zinc/98/04/10/1072980410.db2.gz TZUSWAFPUQNUJO-IJWZPVHRSA-N -1 0 628.261 5.020 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531234103 1072986298 /nfs/dbraw/zinc/98/62/98/1072986298.db2.gz KRNNDRJSTIYOCQ-OKCVXOCRSA-N -1 0 563.452 5.337 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531238214 1072992019 /nfs/dbraw/zinc/99/20/19/1072992019.db2.gz BKURPHYEVINJHI-VVEOGCPPSA-N -1 0 633.724 6.687 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531238389 1072993355 /nfs/dbraw/zinc/99/33/55/1072993355.db2.gz LZKWXFAUFVXGKN-VFLNYLIXSA-N -1 0 599.825 5.833 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531238812 1072994896 /nfs/dbraw/zinc/99/48/96/1072994896.db2.gz XNTMUPBLOZYMRB-MQOBIWFWSA-N -1 0 550.837 5.459 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531242401 1072996286 /nfs/dbraw/zinc/99/62/86/1072996286.db2.gz HSQPTPYTQBRLFF-IPPBACCNSA-N -1 0 595.406 5.188 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@@H](C)C(=O)[O-])c2ccccc12 ZINC001531242662 1072997189 /nfs/dbraw/zinc/99/71/89/1072997189.db2.gz QVYOVLLHRWHIPH-JZNDDVEWSA-N -1 0 509.404 5.293 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC001531254723 1073006993 /nfs/dbraw/zinc/00/69/93/1073006993.db2.gz DAAMMZSJBDBDTG-VTNSRFBWSA-N -1 0 570.443 6.424 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531254899 1073008381 /nfs/dbraw/zinc/00/83/81/1073008381.db2.gz NDZLYOLZTRJZGO-WKULSOCRSA-N -1 0 579.407 5.569 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531254999 1073008739 /nfs/dbraw/zinc/00/87/39/1073008739.db2.gz SVDGKZGSYMKVKK-HMWNXKSVSA-N -1 0 595.288 5.568 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531258653 1073016606 /nfs/dbraw/zinc/01/66/06/1073016606.db2.gz LIYAUUFJDJSKOG-AOAIAPAPSA-N -1 0 647.751 7.248 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001531258657 1073017119 /nfs/dbraw/zinc/01/71/19/1073017119.db2.gz LIYAUUFJDJSKOG-JNKHFKFZSA-N -1 0 647.751 7.248 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531263531 1073021540 /nfs/dbraw/zinc/02/15/40/1073021540.db2.gz VZWGCRGVNPNTGD-CYUPIBCISA-N -1 0 615.706 5.831 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531269828 1073033563 /nfs/dbraw/zinc/03/35/63/1073033563.db2.gz MJEFQUDYQMLSSG-YJDIGNJUSA-N -1 0 613.852 6.394 40 30 KKEBRM C=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409235328 1073045175 /nfs/dbraw/zinc/04/51/75/1073045175.db2.gz OUDNGAGNLRYQBX-BUVRLJJBSA-N -1 0 532.980 5.842 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(Br)cc1OCC(=O)[O-] ZINC000409234920 1073047240 /nfs/dbraw/zinc/04/72/40/1073047240.db2.gz ASLCUBCCBHFGAP-QGMBQPNBSA-N -1 0 525.808 5.165 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531282972 1073048697 /nfs/dbraw/zinc/04/86/97/1073048697.db2.gz BWDKXLJCXUMCTR-UVPDUMAMSA-N -1 0 564.436 5.841 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)cc(Br)c2OCC(=O)[O-])S/C1=N/c1ccc(F)cc1 ZINC000409234292 1073050711 /nfs/dbraw/zinc/05/07/11/1073050711.db2.gz KJXACSBEUVGBIW-SVARWOEASA-N -1 0 605.223 5.280 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)[O-])c(Br)c1Br ZINC001531289441 1073055131 /nfs/dbraw/zinc/05/51/31/1073055131.db2.gz HHGNJBVNZSBYOS-NSKAYECMSA-N -1 0 646.130 5.381 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)S1 ZINC000409232756 1073059584 /nfs/dbraw/zinc/05/95/84/1073059584.db2.gz PMELZEHIRXZPPV-WSDLNYQXSA-N -1 0 513.402 6.471 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Br)c1 ZINC001531291355 1073060204 /nfs/dbraw/zinc/06/02/04/1073060204.db2.gz LQHQEBJUBWLPAJ-JKPUNKBFSA-N -1 0 571.653 5.434 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531292241 1073062910 /nfs/dbraw/zinc/06/29/10/1073062910.db2.gz JJEAAELNUOORDZ-ALQBTCKLSA-N -1 0 618.528 6.788 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br ZINC001531292506 1073063674 /nfs/dbraw/zinc/06/36/74/1073063674.db2.gz PVYMUWRZTHVMOC-IJWZPVHRSA-N -1 0 581.261 5.178 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001531292530 1073063967 /nfs/dbraw/zinc/06/39/67/1073063967.db2.gz RRTZXIJKXAXPAR-RPPGKUMJSA-N -1 0 514.763 5.605 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC001531292508 1073063983 /nfs/dbraw/zinc/06/39/83/1073063983.db2.gz PVYMUWRZTHVMOC-MLZXSMIQSA-N -1 0 581.261 5.178 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531296553 1073066093 /nfs/dbraw/zinc/06/60/93/1073066093.db2.gz GROUHLZMCNHUQU-FJEPWZHXSA-N -1 0 568.855 6.314 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531303343 1073077459 /nfs/dbraw/zinc/07/74/59/1073077459.db2.gz CIYHBPLLLDKOIU-XAZZYMPDSA-N -1 0 603.300 6.968 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531304549 1073082724 /nfs/dbraw/zinc/08/27/24/1073082724.db2.gz IZDYALYFKLVSBI-FNHGHSEXSA-N -1 0 629.733 6.221 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531309933 1073085871 /nfs/dbraw/zinc/08/58/71/1073085871.db2.gz BOPJWHODDKNVQP-ZFQVWYPFSA-N -1 0 704.359 6.835 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001531309984 1073086141 /nfs/dbraw/zinc/08/61/41/1073086141.db2.gz GXNWMDFZTMKKPS-IJWZPVHRSA-N -1 0 536.810 5.069 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC001531310416 1073087976 /nfs/dbraw/zinc/08/79/76/1073087976.db2.gz UBTNUJOCNVNWTB-FABQOPTDSA-N -1 0 613.512 6.678 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC001531312235 1073089513 /nfs/dbraw/zinc/08/95/13/1073089513.db2.gz MRUFRBVLTITBGN-HWDKICEFSA-N -1 0 595.288 5.397 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001531319426 1073098257 /nfs/dbraw/zinc/09/82/57/1073098257.db2.gz SBUJYNWKLAMQSB-DXRBVMPTSA-N -1 0 534.410 5.832 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531326528 1073104629 /nfs/dbraw/zinc/10/46/29/1073104629.db2.gz MQVCABXPDZOYCF-XAZZYMPDSA-N -1 0 647.751 7.077 40 30 KKEBRM C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409240086 1073109929 /nfs/dbraw/zinc/10/99/29/1073109929.db2.gz JORORQCULZAPSK-PCLIKHOPSA-N -1 0 512.562 5.184 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC001531329099 1073110199 /nfs/dbraw/zinc/11/01/99/1073110199.db2.gz BFLBAQVJSHROLB-XHWYIDKJSA-N -1 0 584.470 6.985 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCC(=O)[O-] ZINC001531329367 1073112747 /nfs/dbraw/zinc/11/27/47/1073112747.db2.gz SJONZDXIQIVCHK-LGXUHMPSSA-N -1 0 581.261 5.179 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC001531329461 1073112763 /nfs/dbraw/zinc/11/27/63/1073112763.db2.gz VHUSOMQONBGRSS-ZBQQXIERSA-N -1 0 627.539 7.239 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC001531336892 1073120186 /nfs/dbraw/zinc/12/01/86/1073120186.db2.gz DVUOSBQPPUZXJK-WGNGTQIVSA-N -1 0 660.306 6.437 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC001531337303 1073122656 /nfs/dbraw/zinc/12/26/56/1073122656.db2.gz WMYPGSDZNGMBAG-GNZFJNCUSA-N -1 0 506.784 5.060 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531340531 1073128100 /nfs/dbraw/zinc/12/81/00/1073128100.db2.gz HGEUCORVFORCSX-BUGPSZFBSA-N -1 0 630.131 5.761 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531340534 1073128121 /nfs/dbraw/zinc/12/81/21/1073128121.db2.gz HGEUCORVFORCSX-ZVYABZQBSA-N -1 0 630.131 5.761 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC001531342821 1073132692 /nfs/dbraw/zinc/13/26/92/1073132692.db2.gz OMSKDQMRWXHLOP-UZGQRAPBSA-N -1 0 581.261 5.178 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC001531347541 1073138542 /nfs/dbraw/zinc/13/85/42/1073138542.db2.gz LUFAVMHFVUJTEU-YBGGJHSQSA-N -1 0 601.679 5.270 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531382577 1073144593 /nfs/dbraw/zinc/14/45/93/1073144593.db2.gz UQESHOYJFXYOFH-FDAWAROLSA-N -1 0 505.530 5.232 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531382758 1073146979 /nfs/dbraw/zinc/14/69/79/1073146979.db2.gz KQXVVMKDKORWFX-DPNNOFEESA-N -1 0 554.002 6.275 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409248642 1073147533 /nfs/dbraw/zinc/14/75/33/1073147533.db2.gz HOSHFBIMBXSODK-KTDAUIDJSA-N -1 0 510.974 6.380 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC001531383375 1073151278 /nfs/dbraw/zinc/15/12/78/1073151278.db2.gz HHQYUEAUQUHYBJ-DPNNOFEESA-N -1 0 645.453 6.226 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409247339 1073154921 /nfs/dbraw/zinc/15/49/21/1073154921.db2.gz MYSMVOKYPBQDFB-WSDLNYQXSA-N -1 0 634.879 6.430 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531384107 1073156336 /nfs/dbraw/zinc/15/63/36/1073156336.db2.gz DTVVSDQLLPDVTI-KVAAJVFYSA-N -1 0 677.349 7.147 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC001531384661 1073160835 /nfs/dbraw/zinc/16/08/35/1073160835.db2.gz KNUWFRMFCHEBFS-OCSSWDANSA-N -1 0 520.501 5.131 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC001531384853 1073162028 /nfs/dbraw/zinc/16/20/28/1073162028.db2.gz NQGAGGLXILJLFU-OCSSWDANSA-N -1 0 520.501 5.131 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCC(=O)[O-] ZINC001531384865 1073162466 /nfs/dbraw/zinc/16/24/66/1073162466.db2.gz NVTFROZEEYNLQT-XODNFHPESA-N -1 0 601.251 5.333 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531384914 1073162888 /nfs/dbraw/zinc/16/28/88/1073162888.db2.gz PCEAPBZWHUFAAJ-XOUCVQQTSA-N -1 0 570.827 5.612 40 30 KKEBRM C[C@@H](Oc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I)C(=O)[O-] ZINC001531385157 1073164788 /nfs/dbraw/zinc/16/47/88/1073164788.db2.gz QLCMLULXMMTFMZ-HWDKICEFSA-N -1 0 665.225 5.007 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531385572 1073168203 /nfs/dbraw/zinc/16/82/03/1073168203.db2.gz VSMKYHFHMQUDFV-ZMOBYHMNSA-N -1 0 601.251 5.331 40 30 KKEBRM Cc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001531385694 1073169521 /nfs/dbraw/zinc/16/95/21/1073169521.db2.gz XXNCZOKGTQWIEP-XRDWFJMKSA-N -1 0 506.562 5.205 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC001531385899 1073170843 /nfs/dbraw/zinc/17/08/43/1073170843.db2.gz ZSVLCOIACRVTKC-KBVAKVRCSA-N -1 0 554.400 5.985 40 30 KKEBRM CCCCCCC[C@H](CC(=O)O[C@H](CCCCC)CC(=O)[O-])OC(=O)[C@@H](CO)NC(=O)C[C@@H](O)CCCCCCC ZINC001534676429 1073172914 /nfs/dbraw/zinc/17/29/14/1073172914.db2.gz TUFUSJVDHPRNSG-FICKONGGSA-N -1 0 587.795 5.204 40 30 KKEBRM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001547139031 1073183253 /nfs/dbraw/zinc/18/32/53/1073183253.db2.gz ZBULTJKDIADVLV-CGKCLIEASA-N -1 0 679.469 5.481 40 30 KKEBRM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001547139035 1073183802 /nfs/dbraw/zinc/18/38/02/1073183802.db2.gz ZBULTJKDIADVLV-FJGZXTDXSA-N -1 0 679.469 5.481 40 30 KKEBRM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139080 1073184324 /nfs/dbraw/zinc/18/43/24/1073184324.db2.gz DKBSTBSSKJPASL-ZMFOQMAESA-N -1 0 719.216 5.912 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)S1 ZINC000409252211 1073187890 /nfs/dbraw/zinc/18/78/90/1073187890.db2.gz RGIZGKANCBILOX-CVKSISIWSA-N -1 0 529.017 6.970 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409273976 1073315000 /nfs/dbraw/zinc/31/50/00/1073315000.db2.gz AZMDEKUDLUKYAK-UHFFFAOYSA-N -1 0 644.276 6.113 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cccc2[N+](=O)[O-])cc1 ZINC000409287275 1073337119 /nfs/dbraw/zinc/33/71/19/1073337119.db2.gz ZUZCISPZCVHICN-UHFFFAOYSA-N -1 0 639.418 6.640 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409287208 1073338872 /nfs/dbraw/zinc/33/88/72/1073338872.db2.gz ZFZPGSCFWDBZOT-UHFFFAOYSA-N -1 0 659.783 8.181 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)cc1C(C)C ZINC000409286828 1073341145 /nfs/dbraw/zinc/34/11/45/1073341145.db2.gz ZVRZFSZOTILYNV-UHFFFAOYSA-N -1 0 640.534 7.426 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(Br)c3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409286607 1073345439 /nfs/dbraw/zinc/34/54/39/1073345439.db2.gz YZGMNMNSPFFYSD-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409286268 1073348083 /nfs/dbraw/zinc/34/80/83/1073348083.db2.gz ZRTQFXLQOAMTPO-SFHVURJKSA-N -1 0 626.935 7.044 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409285786 1073352442 /nfs/dbraw/zinc/35/24/42/1073352442.db2.gz XJXJAJILXKVQHV-CYBMUJFWSA-N -1 0 560.872 5.378 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409285804 1073352510 /nfs/dbraw/zinc/35/25/10/1073352510.db2.gz ONIATQQQKJGEEJ-UHFFFAOYSA-N -1 0 676.305 5.884 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409285894 1073353327 /nfs/dbraw/zinc/35/33/27/1073353327.db2.gz PDGROTMZINNCAR-UHFFFAOYSA-N -1 0 629.305 6.213 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409285658 1073354061 /nfs/dbraw/zinc/35/40/61/1073354061.db2.gz WOEPMSALLLXGTD-UHFFFAOYSA-N -1 0 613.306 6.378 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc2n1CC(=O)[O-] ZINC000409285272 1073358992 /nfs/dbraw/zinc/35/89/92/1073358992.db2.gz WCVUOTZGGCPUIY-UHFFFAOYSA-N -1 0 510.937 5.693 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409285140 1073361229 /nfs/dbraw/zinc/36/12/29/1073361229.db2.gz VLPLCBCBSXKQRO-UHFFFAOYSA-N -1 0 670.560 7.434 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409284655 1073364957 /nfs/dbraw/zinc/36/49/57/1073364957.db2.gz MAUJBMJBFWXWPA-UHFFFAOYSA-N -1 0 758.148 6.090 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br ZINC000409284214 1073370013 /nfs/dbraw/zinc/37/00/13/1073370013.db2.gz ULTOWXQCTFWXTL-UHFFFAOYSA-N -1 0 587.213 6.225 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br)C(=O)[O-] ZINC000409283420 1073379816 /nfs/dbraw/zinc/37/98/16/1073379816.db2.gz IXKOEGAFFJYUIB-AWEZNQCLSA-N -1 0 611.246 6.069 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409282959 1073385058 /nfs/dbraw/zinc/38/50/58/1073385058.db2.gz HYZGLZJMRGDANL-UHFFFAOYSA-N -1 0 515.367 5.051 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409282628 1073388043 /nfs/dbraw/zinc/38/80/43/1073388043.db2.gz PGTMQLJBGYHFOG-IBGZPJMESA-N -1 0 622.516 6.399 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409282677 1073388731 /nfs/dbraw/zinc/38/87/31/1073388731.db2.gz QAIBZBOMYFBYJG-UHFFFAOYSA-N -1 0 539.183 5.923 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(O[C@H](C)C(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409282501 1073389903 /nfs/dbraw/zinc/38/99/03/1073389903.db2.gz OSJAYNVCVBQHEH-LJQANCHMSA-N -1 0 715.439 7.552 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409281915 1073396497 /nfs/dbraw/zinc/39/64/97/1073396497.db2.gz NLBHQCZAJJZXEU-UHFFFAOYSA-N -1 0 543.421 5.613 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OCC)c1OCC(=O)[O-] ZINC000409281833 1073399113 /nfs/dbraw/zinc/39/91/13/1073399113.db2.gz OOEHTWRQCDHGOQ-UHFFFAOYSA-N -1 0 553.571 5.291 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)[O-] ZINC000409281416 1073401590 /nfs/dbraw/zinc/40/15/90/1073401590.db2.gz MIOWLBUABVZFET-UHFFFAOYSA-N -1 0 531.874 5.090 40 30 KKEBRM C=C(C)[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(COC(C)=O)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253534741 291531214 /nfs/dbraw/zinc/53/12/14/291531214.db2.gz UTGRZYZMRODBMC-UZZKTINJSA-N -1 0 514.747 6.633 40 30 biogenic,in-vitro KKEBRM CCn1c(S/C(=C\c2cc(Cl)ccc2OCc2ccc(C#N)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634319 195479982 /nfs/dbraw/zinc/47/99/82/195479982.db2.gz UHOOUFWJOWFDBM-WGARJPEWSA-N -1 0 577.062 6.304 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(=O)OCC ZINC000408852326 195492852 /nfs/dbraw/zinc/49/28/52/195492852.db2.gz SLBFCQROIJMSAO-LQKURTRISA-N -1 0 568.670 5.491 40 30 KKEBRM COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3o2)cc1Br ZINC000001954906 551735609 /nfs/dbraw/zinc/73/56/09/551735609.db2.gz BBXNHXJNTNIDTN-YSURURNPSA-N -1 0 502.708 6.284 40 30 KKEBRM COc1ccc(Oc2ccc(C=Nn3c(Cc4cccc5ccccc54)n[n-]c3=S)cc2[N+](=O)[O-])cc1 ZINC000002632568 552140306 /nfs/dbraw/zinc/14/03/06/552140306.db2.gz GDXPFZMWUUYJDM-OGLMXYFKSA-N -1 0 511.563 6.276 40 30 KKEBRM O=S(=O)([N-]c1ccnn1-c1ccccc1)c1ccc(/N=C/c2c3ccccc3nc3cc(Cl)ccc23)cc1 ZINC000005614325 552505435 /nfs/dbraw/zinc/50/54/35/552505435.db2.gz KCDUVDIRETUGLR-ZCTHSVRISA-N -1 0 538.032 6.779 40 30 KKEBRM CCOc1ccc(CN=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)c(O)c1 ZINC000006600690 552602687 /nfs/dbraw/zinc/60/26/87/552602687.db2.gz UNVHUQKDTYPTPX-AUEPDCJTSA-N -1 0 522.197 5.233 40 30 KKEBRM COc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)cc1 ZINC000007060408 552982843 /nfs/dbraw/zinc/98/28/43/552982843.db2.gz CEHOPQRAPHABMW-BHGWPJFGSA-N -1 0 596.162 6.169 40 30 KKEBRM CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C(=O)[O-] ZINC000008437598 553031992 /nfs/dbraw/zinc/03/19/92/553031992.db2.gz PEZXEQJZQAVYCZ-NLMPBQEBSA-O -1 0 664.794 6.143 40 30 in-vitro KKEBRM CC[C@@H](C)[C@H](NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000008788849 553145188 /nfs/dbraw/zinc/14/51/88/553145188.db2.gz PLKXUFTWZZOUBY-FWGMHGAJSA-N -1 0 500.680 5.143 40 30 KKEBRM O=C([O-])c1ccc(/N=C2/C=CC3=N[C@@]45CCCC[C@@H]4[C@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000008926118 553191093 /nfs/dbraw/zinc/19/10/93/553191093.db2.gz JWJQKUXXLPEPJD-RQEQUKQFSA-N -1 0 511.625 7.393 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000012862268 553423120 /nfs/dbraw/zinc/42/31/20/553423120.db2.gz YSTHYYPRYHADNW-QTAPQZLASA-N -1 0 521.654 5.152 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000015912973 553541836 /nfs/dbraw/zinc/54/18/36/553541836.db2.gz UTTHYQFZEZKQML-MFKUBSTISA-N -1 0 507.399 6.155 40 30 KKEBRM C=CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000016577892 553568629 /nfs/dbraw/zinc/56/86/29/553568629.db2.gz MFSRSQNGRFALRK-UHFFFAOYSA-N -1 0 528.045 5.684 40 30 KKEBRM CC1(C)CCCC[C@@H]1C=CC(=CC(O)(C(F)(F)F)C(F)(F)F)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000073298334 553652951 /nfs/dbraw/zinc/65/29/51/553652951.db2.gz IVIYVFDVKAIWGC-AQOZWRQJSA-N -1 0 526.434 6.289 40 30 KKEBRM CCCCCCCCN1C(=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 ZINC000094303223 553696088 /nfs/dbraw/zinc/69/60/88/553696088.db2.gz WZGXSNHXTGGEGJ-OFBQNYFWSA-N -1 0 826.122 9.529 40 30 in-vitro KKEBRM CCCCCCCCN1C(=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 ZINC000094303224 553696101 /nfs/dbraw/zinc/69/61/01/553696101.db2.gz WZGXSNHXTGGEGJ-HHNOEPOHSA-N -1 0 826.122 9.529 40 30 in-vitro KKEBRM Cc1cc(C)n(-c2nc(N=NCc3cc(Br)c([O-])c(Br)c3)nc(Nc3ccc(C)cc3)n2)n1 ZINC000097948465 553794225 /nfs/dbraw/zinc/79/42/25/553794225.db2.gz XZQVALCKNXNUQX-OPEKNORGSA-N -1 0 572.265 5.403 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc(NN=C(C#N)C(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)ccc1Cl ZINC000097982628 554003926 /nfs/dbraw/zinc/00/39/26/554003926.db2.gz CRPCZVNKSHOCKE-PNFNHJRFSA-N -1 0 672.167 5.529 40 30 KKEBRM CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000035656595 554062001 /nfs/dbraw/zinc/06/20/01/554062001.db2.gz XJBZDMMTOSWUAO-TUGOISKESA-N -1 0 513.402 6.504 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000035656245 554062039 /nfs/dbraw/zinc/06/20/39/554062039.db2.gz QNXPHCGOGRFMAR-BOPWAFPBSA-N -1 0 516.619 6.295 40 30 KKEBRM CCOc1cc(Br)c(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC ZINC000035657028 554062337 /nfs/dbraw/zinc/06/23/37/554062337.db2.gz NQJISMADUITBRP-YVQDBNNVSA-N -1 0 505.390 5.179 40 30 KKEBRM O=C([O-])c1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1 ZINC000100039644 554191987 /nfs/dbraw/zinc/19/19/87/554191987.db2.gz PLIASXXIDVMAQX-WTYJXDNXSA-N -1 0 577.434 6.101 40 30 KKEBRM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F ZINC000100045422 554193265 /nfs/dbraw/zinc/19/32/65/554193265.db2.gz LJUULLNFNNTPAJ-UHFFFAOYSA-N -1 0 530.077 5.647 40 30 KKEBRM CCCCOC(=O)c1ccc(/N=C/c2cc(I)cc(I)c2[O-])cc1 ZINC000100045068 554193304 /nfs/dbraw/zinc/19/33/04/554193304.db2.gz QYRYWTFAGNILDE-SRZZPIQSSA-N -1 0 549.146 5.309 40 30 KKEBRM O=c1c(N=Nc2cccc(Br)c2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100057781 554197083 /nfs/dbraw/zinc/19/70/83/554197083.db2.gz KXAASOANYWRRNT-XAYXJRQQSA-N -1 0 502.397 5.792 40 30 KKEBRM Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)cc1Cl ZINC000100106531 554220871 /nfs/dbraw/zinc/22/08/71/554220871.db2.gz OCWXCRHSNMLCHP-YPXUMCKCSA-N -1 0 536.893 7.752 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000100110911 554221498 /nfs/dbraw/zinc/22/14/98/554221498.db2.gz JAKLJFWUINDAHI-SXGWCWSVSA-N -1 0 534.204 5.060 40 30 KKEBRM Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C/c3cc(Br)c([O-])c(I)c3)S2)c1 ZINC000100131556 554225689 /nfs/dbraw/zinc/22/56/89/554225689.db2.gz OYTBPESNOVKJLH-PXNMLYILSA-N -1 0 543.224 5.136 40 30 KKEBRM C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Br)c4)C3=O)o2)ccc1Cl ZINC000100165208 554236479 /nfs/dbraw/zinc/23/64/79/554236479.db2.gz FYAIESQVWCHQBZ-UYRXBGFRSA-N -1 0 527.758 5.167 40 30 KKEBRM Cc1ccc(COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Br)cc1 ZINC000100167074 554237142 /nfs/dbraw/zinc/23/71/42/554237142.db2.gz HPAXIEDJRGOLPF-UHFFFAOYSA-N -1 0 606.557 7.107 40 30 KKEBRM CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000100167110 554237421 /nfs/dbraw/zinc/23/74/21/554237421.db2.gz OBXWBUNTESSLRU-SNCSUOKWSA-N -1 0 530.584 10.281 40 30 KKEBRM COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000100235041 554257957 /nfs/dbraw/zinc/25/79/57/554257957.db2.gz OATGOSSUJAIXQQ-NTCCBWQASA-N -1 0 567.461 6.034 40 30 KKEBRM Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4[O-])ccc3o2)cc1C ZINC000038182157 554273938 /nfs/dbraw/zinc/27/39/38/554273938.db2.gz WYUNZLOQPOAZLB-WCMJOSRZSA-N -1 0 511.965 7.720 40 30 KKEBRM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000039940304 554281187 /nfs/dbraw/zinc/28/11/87/554281187.db2.gz CLNSZUWUHUBTOC-MXAYSNPKSA-N -1 0 514.332 5.479 40 30 KKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1[O-] ZINC000100298136 554289338 /nfs/dbraw/zinc/28/93/38/554289338.db2.gz ACFWCKHWDVIUIW-KKMKTNMSSA-N -1 0 522.742 7.428 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1[O-] ZINC000100300690 554291050 /nfs/dbraw/zinc/29/10/50/554291050.db2.gz BNMJNAWADYHURC-XAZZYMPDSA-N -1 0 519.891 7.382 40 30 KKEBRM O=C(C=C([O-])[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100343786 554329377 /nfs/dbraw/zinc/32/93/77/554329377.db2.gz GPHQHJHYQQVLTP-YFKPBYRVSA-N -1 0 574.105 6.018 40 30 KKEBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC#N ZINC000059105173 554380440 /nfs/dbraw/zinc/38/04/40/554380440.db2.gz RSJFDPNYBOEUMF-AFUMVMLFSA-N -1 0 525.605 5.962 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059135530 554381630 /nfs/dbraw/zinc/38/16/30/554381630.db2.gz YPEHMVPVRFAWDN-HZHRSRAPSA-N -1 0 501.470 5.548 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000059135586 554381654 /nfs/dbraw/zinc/38/16/54/554381654.db2.gz FJJTYWGDNUFACV-BUVRLJJBSA-N -1 0 500.526 5.957 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000059135582 554381662 /nfs/dbraw/zinc/38/16/62/554381662.db2.gz WUNSEGYEIOANGP-OEAKJJBVSA-N -1 0 504.489 5.788 40 30 KKEBRM C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1CC=C ZINC000059136372 554382485 /nfs/dbraw/zinc/38/24/85/554382485.db2.gz KLZVAYZLVIDMAN-FOWTUZBSSA-N -1 0 501.377 5.553 40 30 KKEBRM C=CCOc1c(CC=C)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198270 554384742 /nfs/dbraw/zinc/38/47/42/554384742.db2.gz BBYMIMNFIWEJOI-XSFVSMFZSA-N -1 0 511.372 5.648 40 30 KKEBRM Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059302242 554388156 /nfs/dbraw/zinc/38/81/56/554388156.db2.gz NPOBXRJAKBVWPW-RWPZCVJISA-N -1 0 505.983 7.256 40 30 KKEBRM CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3s2)cc1 ZINC000059459195 554396305 /nfs/dbraw/zinc/39/63/05/554396305.db2.gz OHWXQKQELKFUQG-LGJNPRDNSA-N -1 0 506.609 6.515 40 30 KKEBRM C[C@H](SC(=Nc1ccccc1)N(C)Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC000100470062 554398766 /nfs/dbraw/zinc/39/87/66/554398766.db2.gz ISXQXCFHZGXPNH-INIZCTEOSA-O -1 0 563.335 5.903 40 30 KKEBRM Cc1cc(N=NCc2cc(Br)ccc2O)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000100506617 554407800 /nfs/dbraw/zinc/40/78/00/554407800.db2.gz GUJRGRYFBXZYBW-GZIVZEMBSA-N -1 0 557.040 5.597 40 30 KKEBRM CCCCCCCCCCCCCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCCCCCCCCCCCCC ZINC000059663833 554421736 /nfs/dbraw/zinc/42/17/36/554421736.db2.gz KUGMMAWZCUZDRP-UHFFFAOYSA-N -1 0 600.881 10.477 40 30 KKEBRM CCCCCCCCCCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCCCCCCCCCC ZINC000059663819 554421799 /nfs/dbraw/zinc/42/17/99/554421799.db2.gz UFVDDXAFIFCJJG-UHFFFAOYSA-N -1 0 516.719 8.136 40 30 KKEBRM COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@H]5SC(=O)[N-]C5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690867 554424914 /nfs/dbraw/zinc/42/49/14/554424914.db2.gz NAXBQOBKRFCYKY-LZEAVSSESA-N -1 0 640.887 7.602 40 30 KKEBRM COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)[N-]C5=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690878 554424921 /nfs/dbraw/zinc/42/49/21/554424921.db2.gz NAXBQOBKRFCYKY-WULWJGJASA-N -1 0 640.887 7.602 40 30 KKEBRM O=C([O-])C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl ZINC000100620139 554434328 /nfs/dbraw/zinc/43/43/28/554434328.db2.gz ADMOCDJEQJUWJY-ZXXMMSQZSA-N -1 0 596.353 7.062 40 30 KKEBRM CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(I)cc(I)c2[O-])cc1 ZINC000100922705 554522580 /nfs/dbraw/zinc/52/25/80/554522580.db2.gz IVIKDHLLAKKMNK-DHRITJCHSA-N -1 0 608.221 5.733 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100928306 554525369 /nfs/dbraw/zinc/52/53/69/554525369.db2.gz JKWZGDHLZYTHTJ-UQTQCPSRSA-N -1 0 567.461 6.359 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000100936447 554530491 /nfs/dbraw/zinc/53/04/91/554530491.db2.gz PCTWXCLFPLKXAK-FPOHZDDLSA-N -1 0 524.598 6.359 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938247 554531339 /nfs/dbraw/zinc/53/13/39/554531339.db2.gz RBKUMUYWYWCTAF-VRAFJUTDSA-N -1 0 547.847 7.158 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100938773 554531584 /nfs/dbraw/zinc/53/15/84/554531584.db2.gz YUNOTOWSXCEDPW-DIENZIEHSA-N -1 0 547.847 7.158 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000100940599 554532268 /nfs/dbraw/zinc/53/22/68/554532268.db2.gz OTHBREJVHUHANP-CTMKFROTSA-N -1 0 557.455 6.903 40 30 KKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1[O-] ZINC000100958267 554541127 /nfs/dbraw/zinc/54/11/27/554541127.db2.gz ROIDVCMFHKPZCQ-WHQPAHRZSA-N -1 0 573.861 7.799 40 30 KKEBRM COc1cc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000100958275 554541187 /nfs/dbraw/zinc/54/11/87/554541187.db2.gz XUFIXPLUVZSMCH-VTNSRFBWSA-N -1 0 555.974 7.302 40 30 KKEBRM O=C1/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000100971002 554543640 /nfs/dbraw/zinc/54/36/40/554543640.db2.gz YAMUEKACRHGQCZ-KZWMQRDFSA-N -1 0 530.241 6.726 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccc(Cl)c(C(=O)[O-])c2)[nH]1 ZINC000100988281 554549117 /nfs/dbraw/zinc/54/91/17/554549117.db2.gz FDMBANJUNUMSAL-UHFFFAOYSA-N -1 0 520.114 7.466 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1OC ZINC000101011275 554557855 /nfs/dbraw/zinc/55/78/55/554557855.db2.gz WIWXRAQSGQBNJO-JLPGSUDCSA-N -1 0 513.681 6.847 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OC ZINC000101015002 554559339 /nfs/dbraw/zinc/55/93/39/554559339.db2.gz KTSKLQDXWASIMP-SOWKCMFVSA-N -1 0 507.718 6.524 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OCC ZINC000101015147 554559454 /nfs/dbraw/zinc/55/94/54/554559454.db2.gz NIIAVQAMQFANCK-FIPQWBAWSA-N -1 0 521.745 7.059 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015193 554559487 /nfs/dbraw/zinc/55/94/87/554559487.db2.gz UDVCUWHLTZLZBS-DRYNYGNZSA-N -1 0 521.745 7.058 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015184 554559503 /nfs/dbraw/zinc/55/95/03/554559503.db2.gz AYLVDTRAZTWWTO-ICOFNPIBSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OCC ZINC000101015151 554559530 /nfs/dbraw/zinc/55/95/30/554559530.db2.gz NIIAVQAMQFANCK-UNJZAIIMSA-N -1 0 521.745 7.059 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000101015117 554559539 /nfs/dbraw/zinc/55/95/39/554559539.db2.gz DKMYDIABRQCUJB-HIQXPHMNSA-N -1 0 529.680 6.633 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OCC ZINC000101015250 554559715 /nfs/dbraw/zinc/55/97/15/554559715.db2.gz VLQVZKAZTABFKA-PFIDWYSVSA-N -1 0 555.762 7.110 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OCC ZINC000101015232 554559751 /nfs/dbraw/zinc/55/97/51/554559751.db2.gz NGLYQGARJIWYFC-KBDAEWTOSA-N -1 0 521.745 6.914 40 30 KKEBRM COc1ccc(/N=C2/S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2CC(C)C)cc1 ZINC000101081042 554578772 /nfs/dbraw/zinc/57/87/72/554578772.db2.gz QAUBSZJCZNMZMR-SLJZLMJFSA-N -1 0 516.619 6.232 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Cl)c([N+](=O)[O-])c4)c3=O)n2)cc1 ZINC000101463004 554779451 /nfs/dbraw/zinc/77/94/51/554779451.db2.gz QWCJXGTWUPRSEN-FAJYDZGRSA-N -1 0 532.969 5.599 40 30 KKEBRM CC/N=C1/S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N1CC ZINC000101618734 554806941 /nfs/dbraw/zinc/80/69/41/554806941.db2.gz MWSXDMKKAPDLEL-XXZJRBTDSA-N -1 0 533.444 5.437 40 30 KKEBRM N#Cc1ccccc1Cn1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000101645463 554815411 /nfs/dbraw/zinc/81/54/11/554815411.db2.gz MFVMBPHPMGHSOO-MFMIGPSVSA-N -1 0 568.658 7.064 40 30 KKEBRM N#C[C@@H](C(N)=O)[C@H](c1c(-c2ccccc2)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102071798 554873906 /nfs/dbraw/zinc/87/39/06/554873906.db2.gz PNWGDFJSFHZKND-GMKZXUHWSA-N -1 0 570.472 5.349 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccnc2)cc1F ZINC000102625871 554987915 /nfs/dbraw/zinc/98/79/15/554987915.db2.gz GBUDZVZFBRXHDA-VWLOTQADSA-N -1 0 584.654 6.309 40 30 KKEBRM N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102917594 555144385 /nfs/dbraw/zinc/14/43/85/555144385.db2.gz XBUSUHDJJXJPTO-LITSAYRRSA-N -1 0 500.510 5.144 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC=C(Br)Cc1ccccc1 ZINC000102971214 555181704 /nfs/dbraw/zinc/18/17/04/555181704.db2.gz CRTWZGIDMWGYMF-CIQDORQPSA-N -1 0 531.388 5.238 40 30 KKEBRM CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000102983965 555189925 /nfs/dbraw/zinc/18/99/25/555189925.db2.gz BRHVZMFOLRATTM-TWKHWXDSSA-N -1 0 559.648 5.877 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000102984116 555190009 /nfs/dbraw/zinc/19/00/09/555190009.db2.gz BYYVXQVOLQGLTF-STBIYBPSSA-N -1 0 561.645 6.449 40 30 KKEBRM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000102984342 555190238 /nfs/dbraw/zinc/19/02/38/555190238.db2.gz MSGARHUDLMEHOG-WBARSBDTSA-N -1 0 526.018 5.758 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)OCC ZINC000103001422 555201200 /nfs/dbraw/zinc/20/12/00/555201200.db2.gz XWFHSBUIROKMJX-VWLOTQADSA-N -1 0 520.711 7.152 40 30 KKEBRM O=[P@@]([O-])(O)CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103624470 555457260 /nfs/dbraw/zinc/45/72/60/555457260.db2.gz BUBQNXNENZFVMX-UHFFFAOYSA-N -1 0 554.324 7.804 40 30 KKEBRM CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)cc1 ZINC000103745878 555465995 /nfs/dbraw/zinc/46/59/95/555465995.db2.gz DAVCIRRORIDGSJ-KVSWJAHQSA-N -1 0 619.404 8.132 40 30 KKEBRM CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)cc1 ZINC000103745883 555466004 /nfs/dbraw/zinc/46/60/04/555466004.db2.gz PSDOWQDZVYTYOV-KVSWJAHQSA-N -1 0 530.502 7.914 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc4c(c3)Cc3ccccc3-4)sc2c1 ZINC000103752978 555468285 /nfs/dbraw/zinc/46/82/85/555468285.db2.gz JUFYXAHEPNCXII-XAZZYMPDSA-N -1 0 533.505 8.923 40 30 KKEBRM O=[N+]([O-])c1cc(/C=N/c2ccc3nc(Sc4nc(N5CCCCC5)nc(N5CCCCC5)n4)sc3c2)ccc1[O-] ZINC000103762419 555471788 /nfs/dbraw/zinc/47/17/88/555471788.db2.gz JZHSCNSYTOHUFA-OGLMXYFKSA-N -1 0 576.708 5.978 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000103842295 571362336 /nfs/dbraw/zinc/36/23/36/571362336.db2.gz DBVAUZQWXGAWHL-FOKLQQMPSA-N -1 0 595.921 6.802 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(Br)c1OCc1ccccc1F ZINC000103841805 571362411 /nfs/dbraw/zinc/36/24/11/571362411.db2.gz QSFCJZZQJCIOOI-HZHRSRAPSA-N -1 0 623.475 6.360 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103850610 571364586 /nfs/dbraw/zinc/36/45/86/571364586.db2.gz ABSDZNLOPXZVKH-HYARGMPZSA-N -1 0 535.369 5.562 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103850641 571364670 /nfs/dbraw/zinc/36/46/70/571364670.db2.gz NZIJUGGAXUVWFY-OEAKJJBVSA-N -1 0 549.396 5.871 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103859454 571367084 /nfs/dbraw/zinc/36/70/84/571367084.db2.gz DZSWHIGBRUNMKU-CIAFOILYSA-N -1 0 616.295 6.738 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103859491 571367102 /nfs/dbraw/zinc/36/71/02/571367102.db2.gz MWWWJGYRXMHRTD-OEAKJJBVSA-N -1 0 592.402 5.340 40 30 KKEBRM CC1(C)[C@@H]2CC[C@]3(C)[C@@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](CO)O1 ZINC000104058626 571371944 /nfs/dbraw/zinc/37/19/44/571371944.db2.gz PFEQIEUTCKQPGL-LZZCRJQJSA-N -1 0 616.836 5.266 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000104100845 571373894 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C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918887 571445164 /nfs/dbraw/zinc/44/51/64/571445164.db2.gz ZKLSMMQOZBNCNB-UMVBIJKMSA-N -1 0 556.744 5.014 40 30 KKEBRM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CO/N=C3/C=C[C@@]4(C)C(=C3)CC[C@H]3[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@@H]34)c2c1 ZINC000118918998 571445427 /nfs/dbraw/zinc/44/54/27/571445427.db2.gz OAYWHZMJOWQING-BZOOLOANSA-N -1 0 589.733 5.396 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919041 571445435 /nfs/dbraw/zinc/44/54/35/571445435.db2.gz IOHDWTBLCTZIIO-CXJKNTBDSA-N -1 0 561.723 5.366 40 30 KKEBRM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](Cc5c[nH]c6ccc(O)cc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919060 571445571 /nfs/dbraw/zinc/44/55/71/571445571.db2.gz UOROQCUKQLETSA-RLIVZUDBSA-N -1 0 577.722 5.072 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118919150 571445617 /nfs/dbraw/zinc/44/56/17/571445617.db2.gz KQGBJEZYOYEOPW-KPBCCQFXSA-N -1 0 522.686 5.057 40 30 KKEBRM C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118920464 571445880 /nfs/dbraw/zinc/44/58/80/571445880.db2.gz MGUKBGMXAHYHQC-QSURVTBUSA-N -1 0 546.708 5.061 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000150344778 571459526 /nfs/dbraw/zinc/45/95/26/571459526.db2.gz PYMRPIRPJGSGSS-VQTQBJDCSA-N -1 0 745.914 5.112 40 30 KKEBRM Cc1cc(C(c2ccc(Nc3ccc4ccc(S(=O)(=O)[O-])cc4c3)cc2)=C2C=CC(=[NH+]c3ccc4ccc(S(=O)(=O)[O-])cc4c3)C=C2)ccc1N ZINC000150353378 571462683 /nfs/dbraw/zinc/46/26/83/571462683.db2.gz AOASVEXORWBOSJ-UHFFFAOYSA-N -1 0 713.837 8.821 40 30 KKEBRM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c1=2)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000150393546 571475095 /nfs/dbraw/zinc/47/50/95/571475095.db2.gz JDRWLVAGSXHNPM-GTEAYFKUSA-N -1 0 670.545 5.777 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Br)c2)cc1OC ZINC000150540074 571520643 /nfs/dbraw/zinc/52/06/43/571520643.db2.gz DJLNLXLYWJWGCZ-MHZLTWQESA-N -1 0 674.598 7.546 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150630681 571524066 /nfs/dbraw/zinc/52/40/66/571524066.db2.gz WRKLYMHZXAZVMD-FJHCYZFTSA-N -1 0 636.351 7.666 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000150634287 571524171 /nfs/dbraw/zinc/52/41/71/571524171.db2.gz OZBGOSUUFXVJDI-GFDYYOTESA-N -1 0 639.471 6.073 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150637448 571524400 /nfs/dbraw/zinc/52/44/00/571524400.db2.gz UXEGNWSQTLBCTE-INJPZLCQSA-N -1 0 622.324 7.276 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000150636790 571524406 /nfs/dbraw/zinc/52/44/06/571524406.db2.gz CNUPNZBMROVYQC-FJHCYZFTSA-N -1 0 683.351 7.508 40 30 KKEBRM CC(C)CC(Nc1ccc(COC(=O)[C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000150663860 571528462 /nfs/dbraw/zinc/52/84/62/571528462.db2.gz QPTKEHUFSCXXEH-YTTGMZPUSA-N -1 0 666.771 6.782 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000163526071 571536215 /nfs/dbraw/zinc/53/62/15/571536215.db2.gz LJAQWLZRBNMXLT-CWCMFYRQSA-N -1 0 652.364 7.876 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164346015 571546285 /nfs/dbraw/zinc/54/62/85/571546285.db2.gz QNNULJDREUFVES-WCMJOSRZSA-N -1 0 777.497 8.495 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000164374301 571546490 /nfs/dbraw/zinc/54/64/90/571546490.db2.gz ZKFNUAFPNUCQJS-DJKKODMXSA-N -1 0 646.210 5.310 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC#N ZINC000210824342 571575852 /nfs/dbraw/zinc/57/58/52/571575852.db2.gz HDNWGWWMEMYPJN-FOKLQQMPSA-N -1 0 590.474 5.494 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000408527672 572161426 /nfs/dbraw/zinc/16/14/26/572161426.db2.gz CHSIWJNBAIOBIA-XKZIYDEJSA-N -1 0 523.408 5.926 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408528169 572163142 /nfs/dbraw/zinc/16/31/42/572163142.db2.gz CUTUDSLUDBJFOF-ZKZIPFBZSA-N -1 0 563.846 6.927 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3ccc(OCC(=O)[O-])c(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408529157 572167194 /nfs/dbraw/zinc/16/71/94/572167194.db2.gz GGYXYOZZJBNJEG-GWISFZTMSA-N -1 0 537.435 6.338 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000408530692 572172921 /nfs/dbraw/zinc/17/29/21/572172921.db2.gz NBZSWQTWOGBJEO-XNLNZBGWSA-N -1 0 543.428 6.664 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408531683 572177062 /nfs/dbraw/zinc/17/70/62/572177062.db2.gz PZHGBONSBVDAHF-HMAPJEAMSA-N -1 0 553.434 6.017 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408536618 572191546 /nfs/dbraw/zinc/19/15/46/572191546.db2.gz AEGWRDXOWHXVDK-JCMHNJIXSA-N -1 0 513.034 6.371 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538417 572198136 /nfs/dbraw/zinc/19/81/36/572198136.db2.gz MPDKIHJEXJIGTD-PDGQHHTCSA-N -1 0 598.321 7.170 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000408538387 572198160 /nfs/dbraw/zinc/19/81/60/572198160.db2.gz MBFQQCCZSIUTQJ-XSFVSMFZSA-N -1 0 519.425 6.408 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408538498 572198743 /nfs/dbraw/zinc/19/87/43/572198743.db2.gz NWMZZHGSVGNIHF-LTGZKZEYSA-N -1 0 578.301 6.617 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408538632 572199113 /nfs/dbraw/zinc/19/91/13/572199113.db2.gz ATQMIRURXWPQDH-HAVVHWLPSA-N -1 0 587.113 6.942 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000408538983 572200493 /nfs/dbraw/zinc/20/04/93/572200493.db2.gz SKKUHECWHGAEHV-ZHZULCJRSA-N -1 0 547.435 6.186 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000408539897 572203753 /nfs/dbraw/zinc/20/37/53/572203753.db2.gz ZVUZWRKJZPJFEQ-ITYLOYPMSA-N -1 0 684.425 8.196 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCCC)c(OC)c2)C1=O ZINC000408540244 572205087 /nfs/dbraw/zinc/20/50/87/572205087.db2.gz PAWCZYKDHZSSAK-NKFKGCMQSA-N -1 0 543.060 6.543 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000408541127 572207889 /nfs/dbraw/zinc/20/78/89/572207889.db2.gz XXEBNISIWAUTQY-XDHOZWIPSA-N -1 0 537.871 7.361 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408541216 572207857 /nfs/dbraw/zinc/20/78/57/572207857.db2.gz YKYFBSBRFIFGAX-HKWRFOASSA-N -1 0 547.479 7.106 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(CCc4c[nH]c5ccccc45)C3=O)c3ccccc32)o1 ZINC000408544563 572216043 /nfs/dbraw/zinc/21/60/43/572216043.db2.gz UTXPBXKFORAMJY-CGVWRCKLSA-N -1 0 586.673 7.309 40 30 KKEBRM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1cc(I)c([O-])c(I)c1 ZINC000252695227 572281885 /nfs/dbraw/zinc/28/18/85/572281885.db2.gz WQQQSPMUCRLDSK-MTQDKHNBSA-N -1 0 658.362 6.700 40 30 KKEBRM C=CCOc1c(Br)cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1Br ZINC000408630906 572286714 /nfs/dbraw/zinc/28/67/14/572286714.db2.gz DQPQNWJXKAEVIA-MFOYZWKCSA-N -1 0 601.704 6.441 40 30 KKEBRM C=CCOc1c(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc([N+](=O)[O-])cc1OC ZINC000408631267 572287279 /nfs/dbraw/zinc/28/72/79/572287279.db2.gz CVCYJDFMPHWARG-XDHOZWIPSA-N -1 0 516.963 5.318 40 30 KKEBRM N#Cc1ccccc1COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Br ZINC000408631730 572287840 /nfs/dbraw/zinc/28/78/40/572287840.db2.gz BHQGKRQNKMTNNZ-UUYOSTAYSA-N -1 0 568.836 6.821 40 30 KKEBRM CCn1c(S/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631895 572288123 /nfs/dbraw/zinc/28/81/23/572288123.db2.gz HAEYLWNNANXFAA-ZRGSRPPYSA-N -1 0 698.539 6.264 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1Br ZINC000408632384 572288783 /nfs/dbraw/zinc/28/87/83/572288783.db2.gz FJTNLASMGVCPPH-PDGQHHTCSA-N -1 0 599.732 6.926 40 30 KKEBRM N#Cc1ccc(COc2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])cc2Br)cc1 ZINC000408632935 572289581 /nfs/dbraw/zinc/28/95/81/572289581.db2.gz HSQOHAZAKSAPIS-UUYOSTAYSA-N -1 0 568.836 6.821 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000408633065 572289734 /nfs/dbraw/zinc/28/97/34/572289734.db2.gz VPOCEGFKQYBPHQ-ROTLSHHCSA-N -1 0 542.020 6.226 40 30 KKEBRM CCn1c(S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633432 572290030 /nfs/dbraw/zinc/29/00/30/572290030.db2.gz MXYNSDLCSROQDW-MBTHVWNTSA-N -1 0 565.655 6.075 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408633479 572290158 /nfs/dbraw/zinc/29/01/58/572290158.db2.gz NGYYQJGPEPLTFL-MUFRIFMGSA-N -1 0 636.170 7.560 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OCc4ccccc4C#N)c(OC)c3)C(=O)[O-])n[nH]2)c1 ZINC000408634183 572291085 /nfs/dbraw/zinc/29/10/85/572291085.db2.gz RUKYRFZRBGAKOY-GATIEOLUSA-N -1 0 544.589 5.166 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OC ZINC000408634216 572291223 /nfs/dbraw/zinc/29/12/23/572291223.db2.gz SEQIRNOLIPXTKX-ZDLGFXPLSA-N -1 0 553.818 5.952 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)[O-])o1 ZINC000408634220 572291234 /nfs/dbraw/zinc/29/12/34/572291234.db2.gz SGYFVHYIXMJRFW-KSEXSDGBSA-N -1 0 567.092 6.836 40 30 KKEBRM CCOc1cc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408634660 572291680 /nfs/dbraw/zinc/29/16/80/572291680.db2.gz WFKAXIZBNIRXEG-ZRGSRPPYSA-N -1 0 558.616 5.556 40 30 KKEBRM C=CCc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408634754 572291800 /nfs/dbraw/zinc/29/18/00/572291800.db2.gz TYOFMVPTYYEZBJ-PCLIKHOPSA-N -1 0 582.509 7.703 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC ZINC000106897431 1069715466 /nfs/dbraw/zinc/71/54/66/1069715466.db2.gz BPIWNGBMNKYYOG-FGLBZAAHSA-N -1 0 507.718 6.669 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc3ccccc32)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408795354 1069741675 /nfs/dbraw/zinc/74/16/75/1069741675.db2.gz LOMDOXUDGDFNNU-LGUMZPBXSA-N -1 0 573.468 7.113 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408934136 1069758184 /nfs/dbraw/zinc/75/81/84/1069758184.db2.gz LIHXRTAIQORMDU-VATQQEKKSA-N -1 0 534.590 5.223 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408933059 1069756882 /nfs/dbraw/zinc/75/68/82/1069756882.db2.gz HBQJJDNBVKMPGB-NQLWMSKBSA-N -1 0 669.586 9.237 40 30 KKEBRM CCOC(=O)COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000408932747 1069757589 /nfs/dbraw/zinc/75/75/89/1069757589.db2.gz ZAIFOVKIMTVGBM-JEQQQZIYSA-N -1 0 625.497 5.902 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408940500 1069760373 /nfs/dbraw/zinc/76/03/73/1069760373.db2.gz UUHPQOQXZHQYRH-YGPDSOAISA-N -1 0 760.391 7.868 40 30 KKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337471 1069805274 /nfs/dbraw/zinc/80/52/74/1069805274.db2.gz VFGUGSFBJULVLZ-CJFBKLJESA-N -1 0 580.323 6.674 40 30 KKEBRM CCCOc1c2cccc1Cc1cc(/C=C3\CC/C(=C\c4ccc(OC)cc4)C3=O)cc(c1O)Cc1cccc(c1OCCC)Cc1cc([N+](=O)[O-])cc(c1[O-])C2 ZINC000409422238 1069815094 /nfs/dbraw/zinc/81/50/94/1069815094.db2.gz YRYFRVBUQDPRRF-YMQWWVFYSA-N -1 0 765.903 10.099 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408783813 1069910734 /nfs/dbraw/zinc/91/07/34/1069910734.db2.gz NGTYEFHJIFSWTC-OEAKJJBVSA-N -1 0 565.453 6.674 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408782759 1069908451 /nfs/dbraw/zinc/90/84/51/1069908451.db2.gz YWMCNCWFGQVSOY-MTDXEUNCSA-N -1 0 532.596 6.131 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000408794246 1069926416 /nfs/dbraw/zinc/92/64/16/1069926416.db2.gz RPNKYRBDRWMJQN-QHCPKHFHSA-N -1 0 550.394 6.012 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408795861 1069927997 /nfs/dbraw/zinc/92/79/97/1069927997.db2.gz WKJHHBFUENTRAJ-ACUXHLBZSA-N -1 0 582.292 7.811 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1cccc(C)c1 ZINC000408797331 1069932222 /nfs/dbraw/zinc/93/22/22/1069932222.db2.gz QWXQFMXBEAVJIH-PDSYLDJCSA-N -1 0 502.592 5.905 40 30 KKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)c2C)cc1 ZINC000408798683 1069933832 /nfs/dbraw/zinc/93/38/32/1069933832.db2.gz WNAXJKCXFDTXLI-IEALRCHKSA-N -1 0 503.580 5.203 40 30 KKEBRM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000408830738 1070018508 /nfs/dbraw/zinc/01/85/08/1070018508.db2.gz PVXXXQARSGDQHQ-OEAKJJBVSA-N -1 0 565.409 5.650 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OC ZINC000408832093 1070022772 /nfs/dbraw/zinc/02/27/72/1070022772.db2.gz PWLWHQMQPKBZGV-PWRNKBSVSA-N -1 0 702.605 7.014 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000408842562 1070046484 /nfs/dbraw/zinc/04/64/84/1070046484.db2.gz ATRXKWMXLHTTRF-YRNVUSSQSA-N -1 0 500.190 5.144 40 30 KKEBRM N#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000408843091 1070057101 /nfs/dbraw/zinc/05/71/01/1070057101.db2.gz DDYXSZKFZWGNAV-UXBLZVDNSA-N -1 0 501.178 5.034 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408851967 1070058978 /nfs/dbraw/zinc/05/89/78/1070058978.db2.gz OJEXKXJZVUKZGJ-ZVHZXABRSA-N -1 0 624.329 6.802 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408850036 1070063718 /nfs/dbraw/zinc/06/37/18/1070063718.db2.gz DGSZRRNYAYFBHZ-YZSQISJMSA-N -1 0 570.642 5.775 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccccc1 ZINC000408853770 1070071495 /nfs/dbraw/zinc/07/14/95/1070071495.db2.gz RLZWASHZJVNGFH-HMMYKYKNSA-N -1 0 523.441 6.132 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1Br ZINC000408877734 1070112942 /nfs/dbraw/zinc/11/29/42/1070112942.db2.gz UEJBDWUZOWGGIW-BXHPTCRHSA-N -1 0 533.419 5.988 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408906755 1070180496 /nfs/dbraw/zinc/18/04/96/1070180496.db2.gz KAOQKSFVPUBQHV-CCBCPFMQSA-N -1 0 580.444 5.394 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408909395 1070198077 /nfs/dbraw/zinc/19/80/77/1070198077.db2.gz GYDUWVVGVSNEBQ-JVWAILMASA-N -1 0 536.559 5.961 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408917745 1070209369 /nfs/dbraw/zinc/20/93/69/1070209369.db2.gz ARYWFTGBMJMYLV-JCEPQGBGSA-N -1 0 698.422 8.846 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408916274 1070219712 /nfs/dbraw/zinc/21/97/12/1070219712.db2.gz AUGWPFLKYRJZSI-DDDXMJBFSA-N -1 0 686.584 7.368 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930305 1070259487 /nfs/dbraw/zinc/25/94/87/1070259487.db2.gz VCKFZAVMPRNCAY-NEKJVONTSA-N -1 0 667.569 7.183 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930747 1070260582 /nfs/dbraw/zinc/26/05/82/1070260582.db2.gz BNAKJIJWARKSQE-OTACCIFUSA-N -1 0 677.548 7.687 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc43)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931338 1070263282 /nfs/dbraw/zinc/26/32/82/1070263282.db2.gz KGLVUPAWZBDSDO-KACBOXLMSA-N -1 0 614.723 8.238 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408933122 1070264783 /nfs/dbraw/zinc/26/47/83/1070264783.db2.gz HTERSXVQFKGILM-QITZVISUSA-N -1 0 523.010 6.168 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(OCc4cccc5ccccc54)c(I)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408935702 1070273963 /nfs/dbraw/zinc/27/39/63/1070273963.db2.gz NGVOJVQKEDQVKJ-JQDPYBPBSA-N -1 0 634.495 7.264 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408940674 1070286975 /nfs/dbraw/zinc/28/69/75/1070286975.db2.gz VGMCLEKIUNYWPA-WGQHKYHDSA-N -1 0 688.416 9.390 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(C(=O)[O-])cc3C)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968735 1070333565 /nfs/dbraw/zinc/33/35/65/1070333565.db2.gz YJENVOAKZZCTLF-DFZXFXTASA-N -1 0 501.652 6.632 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2Cc2ccco2)cc1 ZINC000408968402 1070333786 /nfs/dbraw/zinc/33/37/86/1070333786.db2.gz YLJIHAAXVNMZGL-UZWHTOBLSA-N -1 0 570.623 6.378 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408990886 1070357366 /nfs/dbraw/zinc/35/73/66/1070357366.db2.gz OSSIPWJKQTVFNK-QRVIBDJDSA-N -1 0 534.971 5.770 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408991292 1070357644 /nfs/dbraw/zinc/35/76/44/1070357644.db2.gz QCEJKOGUJHJWEQ-UCQKPKSFSA-N -1 0 565.453 6.674 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408988701 1070360805 /nfs/dbraw/zinc/36/08/05/1070360805.db2.gz FNUHYRNJWNBTPL-ZRGSRPPYSA-N -1 0 722.613 8.505 40 30 KKEBRM Cc1nnc(Sc2ccc(/C=C3\SC(=Nc4ccc(Cl)c(C(=O)[O-])c4)NC3=O)cc2[N+](=O)[O-])s1 ZINC000408989067 1070362027 /nfs/dbraw/zinc/36/20/27/1070362027.db2.gz GTYDYLNKHCULIT-APSNUPSMSA-N -1 0 534.000 5.149 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)o1 ZINC000408994766 1070371670 /nfs/dbraw/zinc/37/16/70/1070371670.db2.gz IRQGHHGLIGIVAV-FPOHZDDLSA-N -1 0 508.599 6.626 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000409007450 1070383916 /nfs/dbraw/zinc/38/39/16/1070383916.db2.gz QCDBQULWQZNIIN-XYGWBWBKSA-N -1 0 573.623 5.142 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409011289 1070389171 /nfs/dbraw/zinc/38/91/71/1070389171.db2.gz GXEQVDMPXKRSPJ-CNLKKNQFSA-N -1 0 516.619 5.784 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-] ZINC000409044959 1070453066 /nfs/dbraw/zinc/45/30/66/1070453066.db2.gz DWDKVSUYSOZLGI-UHFFFAOYSA-N -1 0 539.669 5.271 40 30 KKEBRM CCN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409053365 1070460754 /nfs/dbraw/zinc/46/07/54/1070460754.db2.gz JHNKNDGQMFFVGT-GSYGROADSA-N -1 0 516.022 6.665 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409059352 1070472351 /nfs/dbraw/zinc/47/23/51/1070472351.db2.gz WPBDNSJTECGWGN-YHSWEDCKSA-N -1 0 527.429 6.895 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C#N)cc3)c(I)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409062675 1070478317 /nfs/dbraw/zinc/47/83/17/1070478317.db2.gz YUQNGMJYLFXSEH-RXGKHRBVSA-N -1 0 735.341 6.669 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409064906 1070481044 /nfs/dbraw/zinc/48/10/44/1070481044.db2.gz IZMTXJRBADEPJP-PCLIKHOPSA-N -1 0 575.017 5.499 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409065913 1070482570 /nfs/dbraw/zinc/48/25/70/1070482570.db2.gz OAAQZGHCIVUVNX-XQNSMLJCSA-N -1 0 531.008 6.021 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000409066983 1070483163 /nfs/dbraw/zinc/48/31/63/1070483163.db2.gz NCSCFPPZJPXCPA-UHFFFAOYSA-N -1 0 502.007 5.215 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409067191 1070483321 /nfs/dbraw/zinc/48/33/21/1070483321.db2.gz OEAWUMPIUFLYKI-YZSQISJMSA-N -1 0 526.589 5.376 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000409068507 1070485368 /nfs/dbraw/zinc/48/53/68/1070485368.db2.gz SWISFGKIKKRTEV-UHFFFAOYSA-N -1 0 593.458 5.166 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409068495 1070485449 /nfs/dbraw/zinc/48/54/49/1070485449.db2.gz RRAZCWPWPPPISG-UHFFFAOYSA-N -1 0 632.562 6.531 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409075856 1070489323 /nfs/dbraw/zinc/48/93/23/1070489323.db2.gz USYOXZHEQZGEJK-UHFFFAOYSA-N -1 0 644.540 5.422 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409069876 1070494772 /nfs/dbraw/zinc/49/47/72/1070494772.db2.gz YFKVLSZTSCGRGZ-UHFFFAOYSA-N -1 0 665.441 9.040 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409069831 1070494816 /nfs/dbraw/zinc/49/48/16/1070494816.db2.gz APESYNLIRRZYAI-UHFFFAOYSA-N -1 0 603.759 7.892 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409070835 1070496260 /nfs/dbraw/zinc/49/62/60/1070496260.db2.gz PAWWRBTUWPQGRL-UHFFFAOYSA-N -1 0 715.479 7.821 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409072575 1070499153 /nfs/dbraw/zinc/49/91/53/1070499153.db2.gz CSBQRDOGKVCOAT-KEBDBYFISA-N -1 0 606.289 7.283 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073336 1070499610 /nfs/dbraw/zinc/49/96/10/1070499610.db2.gz GZCLQGFPLOXQCD-UHFFFAOYSA-N -1 0 627.475 6.010 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409073425 1070500463 /nfs/dbraw/zinc/50/04/63/1070500463.db2.gz YSPQBQWBABQRFR-CJLVFECKSA-N -1 0 581.046 5.210 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409080001 1070501573 /nfs/dbraw/zinc/50/15/73/1070501573.db2.gz CUBBSTFHGXVIPY-JUSJZLSKSA-N -1 0 561.103 8.514 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409083988 1070509494 /nfs/dbraw/zinc/50/94/94/1070509494.db2.gz VAAFLZRHOHGTPN-PXAWYTRESA-N -1 0 773.476 9.699 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089229 1070523516 /nfs/dbraw/zinc/52/35/16/1070523516.db2.gz YYJIUTXPVJEXLC-UHFFFAOYSA-N -1 0 642.415 5.564 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409091154 1070526080 /nfs/dbraw/zinc/52/60/80/1070526080.db2.gz PUEOEWZPNOXBGZ-WDZCHGPJSA-N -1 0 657.586 7.798 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409091325 1070526423 /nfs/dbraw/zinc/52/64/23/1070526423.db2.gz SQQZZLYBJXYROR-CGWOVYLYSA-N -1 0 540.685 8.169 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409188798 1070596803 /nfs/dbraw/zinc/59/68/03/1070596803.db2.gz GHRIZVVILXQASD-MTDXEUNCSA-N -1 0 616.686 6.381 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000409191501 1070609149 /nfs/dbraw/zinc/60/91/49/1070609149.db2.gz XOYYTXAKFLMPEG-NLRVBDNBSA-N -1 0 634.707 5.041 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000409246166 1070662744 /nfs/dbraw/zinc/66/27/44/1070662744.db2.gz FXLPRLYUMFUPEH-RQZCQDPDSA-N -1 0 525.808 5.165 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Br)c1 ZINC000409275482 1070719273 /nfs/dbraw/zinc/71/92/73/1070719273.db2.gz JRJVNASUWSZVLA-UHFFFAOYSA-N -1 0 622.397 7.004 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1I)C(=O)[O-] ZINC000409279589 1070728117 /nfs/dbraw/zinc/72/81/17/1070728117.db2.gz HMNKYJWIWLYAFW-AWEZNQCLSA-N -1 0 658.246 5.911 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409281654 1070732330 /nfs/dbraw/zinc/73/23/30/1070732330.db2.gz FDLXFBXHJZYKME-UHFFFAOYSA-N -1 0 668.500 7.139 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409282392 1070734017 /nfs/dbraw/zinc/73/40/17/1070734017.db2.gz OJRBHQGQPYNOIH-LJQANCHMSA-N -1 0 529.593 5.247 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C(C)C ZINC000409286511 1070741216 /nfs/dbraw/zinc/74/12/16/1070741216.db2.gz YYECBPGJCNWQBO-UHFFFAOYSA-N -1 0 520.973 6.043 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1 ZINC000409292929 1070746930 /nfs/dbraw/zinc/74/69/30/1070746930.db2.gz IUOGRWIETUYULN-UHFFFAOYSA-N -1 0 707.762 8.148 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(OC)c2OCC(=O)[O-])cc1C(C)C ZINC000409293470 1070747767 /nfs/dbraw/zinc/74/77/67/1070747767.db2.gz KJNRNKJKULIOQC-UHFFFAOYSA-N -1 0 608.489 6.011 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409295230 1070752473 /nfs/dbraw/zinc/75/24/73/1070752473.db2.gz QHKNCDGKNSJYCD-UHFFFAOYSA-N -1 0 607.972 6.904 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409296134 1070766317 /nfs/dbraw/zinc/76/63/17/1070766317.db2.gz SHLUGBODNYTJFG-CQSZACIVSA-N -1 0 637.352 5.430 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)c3ccccc32)cc1 ZINC000409298794 1070772195 /nfs/dbraw/zinc/77/21/95/1070772195.db2.gz PHEMGCQEGJTVSD-UHFFFAOYSA-N -1 0 504.590 6.028 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000409299688 1070774304 /nfs/dbraw/zinc/77/43/04/1070774304.db2.gz ROIFUFGWUQYQSZ-UHFFFAOYSA-N -1 0 513.617 5.460 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Cl)C(=O)[O-] ZINC000409300073 1070774681 /nfs/dbraw/zinc/77/46/81/1070774681.db2.gz UJQIPGACPWVYRT-CQSZACIVSA-N -1 0 566.795 5.960 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1 ZINC000409300088 1070774802 /nfs/dbraw/zinc/77/48/02/1070774802.db2.gz UOFZXPNAZYYCLV-UHFFFAOYSA-N -1 0 628.866 7.385 40 30 KKEBRM C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccccc1 ZINC000408880205 1070788957 /nfs/dbraw/zinc/78/89/57/1070788957.db2.gz FAGOZNHASBQWJK-XGDJZLPKSA-N -1 0 550.316 7.100 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC000409311973 1070794191 /nfs/dbraw/zinc/79/41/91/1070794191.db2.gz IUWORHICZFONIC-UHFFFAOYSA-N -1 0 521.415 5.408 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409313204 1070795684 /nfs/dbraw/zinc/79/56/84/1070795684.db2.gz OTJIVIVRSBEVIF-HZPDHXFCSA-N -1 0 542.430 5.144 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409307115 1070804902 /nfs/dbraw/zinc/80/49/02/1070804902.db2.gz REGRUBIRYWRJEK-UHFFFAOYSA-N -1 0 758.148 6.090 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409321947 1070810966 /nfs/dbraw/zinc/81/09/66/1070810966.db2.gz VLHNNYOEXHCMRG-HNNXBMFYSA-N -1 0 692.202 7.357 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCC(=O)[O-] ZINC000409327340 1070827721 /nfs/dbraw/zinc/82/77/21/1070827721.db2.gz SJONZDXIQIVCHK-ZDUSSCGKSA-N -1 0 581.261 5.179 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409328510 1070829586 /nfs/dbraw/zinc/82/95/86/1070829586.db2.gz WSSYIGRGWWUURQ-JCMHNJIXSA-N -1 0 522.673 5.610 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cn(Cc4ccc(Br)cc4)c4ccccc34)SC2=N)s1 ZINC000409333820 1070839220 /nfs/dbraw/zinc/83/92/20/1070839220.db2.gz DEVCSOZOSTUPEJ-GHBQDARPSA-N -1 0 523.481 6.284 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC000409334090 1070840160 /nfs/dbraw/zinc/84/01/60/1070840160.db2.gz RPAKIKXDXOFUCP-NSHDSACASA-N -1 0 527.202 5.325 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409325613 1070843406 /nfs/dbraw/zinc/84/34/06/1070843406.db2.gz YTWVJLZPAWBILT-UHFFFAOYSA-N -1 0 620.500 6.383 40 30 KKEBRM O=C1/C(=C\c2cc(I)c([O-])c(I)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408905753 1070898291 /nfs/dbraw/zinc/89/82/91/1070898291.db2.gz DIMSIAAZWFEAED-VOYPSTMSSA-N -1 0 638.268 6.406 40 30 KKEBRM N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408902010 1070914622 /nfs/dbraw/zinc/91/46/22/1070914622.db2.gz DMBXGYSAEINAOG-KEBDBYFISA-N -1 0 754.116 5.775 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I)C(=O)[O-] ZINC000409404644 1070923540 /nfs/dbraw/zinc/92/35/40/1070923540.db2.gz QLCMLULXMMTFMZ-AWEZNQCLSA-N -1 0 665.225 5.007 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2CCc2ccccc2)cc1 ZINC000408908540 1070983396 /nfs/dbraw/zinc/98/33/96/1070983396.db2.gz AHXBXZNBEOFSHR-BDBFOOTBSA-N -1 0 543.044 7.453 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)O[C@@H]1c1cc(OC)ccc1OCC(=O)[O-] ZINC000585266271 1070992531 /nfs/dbraw/zinc/99/25/31/1070992531.db2.gz DVDVUYOXJPQZIM-YQHHHJOQSA-N -1 0 510.989 7.130 40 30 KKEBRM Cc1cccc(COc2ccc(/C=C3\S/C(=N/c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)cc2)c1 ZINC000408916519 1071000740 /nfs/dbraw/zinc/00/07/40/1071000740.db2.gz DUJXZAFWCQZELF-QSZXSEHGSA-N -1 0 534.637 7.076 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408916269 1071000994 /nfs/dbraw/zinc/00/09/94/1071000994.db2.gz ASEQMCSENMZPJA-CBHLDZODSA-N -1 0 594.689 7.488 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408916296 1071001421 /nfs/dbraw/zinc/00/14/21/1071001421.db2.gz BGUUHVBBCVKEPM-VQEUDSMQSA-N -1 0 698.422 8.846 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408916347 1071001729 /nfs/dbraw/zinc/00/17/29/1071001729.db2.gz CEOTTWNSKGINMQ-CIRBIFNISA-N -1 0 678.004 8.583 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccc(OC)c(OC)c2)[C@H](C)O[C@@H]1c1cc(Oc2ccccc2)ccc1OCC(=O)[O-] ZINC000585266714 1071002235 /nfs/dbraw/zinc/00/22/35/1071002235.db2.gz GLSVAYNZPVUWOQ-XFMQOEPYSA-N -1 0 518.606 6.786 40 30 KKEBRM CC[C@@H](C)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914219 1071013872 /nfs/dbraw/zinc/01/38/72/1071013872.db2.gz TZYLUWQOPJYSNG-QSBXPAADSA-N -1 0 533.444 5.632 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Br)cc(Br)c3[O-])C(=O)N2C2CCCCC2)cc1 ZINC000408913098 1071019553 /nfs/dbraw/zinc/01/95/53/1071019553.db2.gz PLFZBFPVVVODNS-BYVRFLJOSA-N -1 0 550.316 7.162 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408919259 1071122099 /nfs/dbraw/zinc/12/20/99/1071122099.db2.gz VKPOHZCGXWGSSD-WNXTVMGOSA-N -1 0 701.542 7.253 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408917475 1071146486 /nfs/dbraw/zinc/14/64/86/1071146486.db2.gz VFVDEBBZMNAUCI-CJOXXUNHSA-N -1 0 668.569 7.801 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408917560 1071147732 /nfs/dbraw/zinc/14/77/32/1071147732.db2.gz XDARNINYJNHCPJ-XQBURHPFSA-N -1 0 564.663 7.085 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408931518 1071151631 /nfs/dbraw/zinc/15/16/31/1071151631.db2.gz MQZRFUPASMAFGC-RDIUFSFTSA-N -1 0 742.475 9.245 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408930759 1071157624 /nfs/dbraw/zinc/15/76/24/1071157624.db2.gz BSJJRGIAQBCHHL-JEQQQZIYSA-N -1 0 567.063 6.647 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408935153 1071226138 /nfs/dbraw/zinc/22/61/38/1071226138.db2.gz MSAMOGHJJNQASC-YWXGCGDTSA-N -1 0 642.564 8.507 40 30 KKEBRM CC[C@@H](C)n1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000408933366 1071241393 /nfs/dbraw/zinc/24/13/93/1071241393.db2.gz IWQFIPUSBBCCRB-AWJNEWIZSA-N -1 0 539.657 7.123 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OC ZINC000110708661 1071244113 /nfs/dbraw/zinc/24/41/13/1071244113.db2.gz VWZJHYHNBKPEPD-WSLHGYQHSA-N -1 0 513.681 6.927 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1OCC ZINC000110708716 1071244128 /nfs/dbraw/zinc/24/41/28/1071244128.db2.gz KORSKBMCGIDPNK-URHBISMZSA-N -1 0 591.880 9.010 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932974 1071246756 /nfs/dbraw/zinc/24/67/56/1071246756.db2.gz GEUXBQLITSEKKB-OTACCIFUSA-N -1 0 633.553 8.392 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408932500 1071250693 /nfs/dbraw/zinc/25/06/93/1071250693.db2.gz CPKCCHQCZDXJBH-NVDDIVENSA-N -1 0 665.522 6.547 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408932574 1071251280 /nfs/dbraw/zinc/25/12/80/1071251280.db2.gz XOVPJRPCKNBLCQ-ABNWFOHISA-N -1 0 568.007 6.076 40 30 KKEBRM CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408932331 1071251765 /nfs/dbraw/zinc/25/17/65/1071251765.db2.gz VRZLBCCXIAUGSM-DBFSUHOCSA-N -1 0 537.332 6.590 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408932779 1071247538 /nfs/dbraw/zinc/24/75/38/1071247538.db2.gz DYFPACNSBUOXOQ-UIMOKLRASA-N -1 0 673.585 7.938 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3ccc(I)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932667 1071249398 /nfs/dbraw/zinc/24/93/98/1071249398.db2.gz DIUUKSLFUHJVTM-BLGMPFDXSA-N -1 0 676.532 7.381 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408932041 1071254268 /nfs/dbraw/zinc/25/42/68/1071254268.db2.gz BAANVJFKBUCIGE-NFEBKBJESA-N -1 0 634.321 7.170 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OC)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408941562 1071307224 /nfs/dbraw/zinc/30/72/24/1071307224.db2.gz WDPIQNSEULPUPD-LEGKVYBRSA-N -1 0 524.598 6.359 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408941583 1071307505 /nfs/dbraw/zinc/30/75/05/1071307505.db2.gz WGAAYGIOKPXPRH-KSWISVTOSA-N -1 0 542.657 6.633 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C(=O)N2C)cccc1C(=O)[O-] ZINC000408940715 1071315105 /nfs/dbraw/zinc/31/51/05/1071315105.db2.gz VKFCJWIZFWTBTL-ZHELPIKKSA-N -1 0 553.596 6.567 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408939842 1071320797 /nfs/dbraw/zinc/32/07/97/1071320797.db2.gz UMWKFMWVASKLRP-PKDZFLIGSA-N -1 0 789.475 9.087 40 30 KKEBRM C=CCCCCON=Cc1c(O)c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263601551 1071324263 /nfs/dbraw/zinc/32/42/63/1071324263.db2.gz LGOYXFPCQQSAPK-ZCQXRJGISA-N -1 0 822.949 6.461 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408937471 1071339883 /nfs/dbraw/zinc/33/98/83/1071339883.db2.gz QSDWOGZTMTZLTI-OTACCIFUSA-N -1 0 633.097 7.578 40 30 KKEBRM C#CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408951577 1071350578 /nfs/dbraw/zinc/35/05/78/1071350578.db2.gz LXLRBCDTBBUICV-JFLMPSFJSA-N -1 0 503.602 5.409 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408948353 1071366261 /nfs/dbraw/zinc/36/62/61/1071366261.db2.gz FROBDMSEWKXOOA-KCSSXMTESA-N -1 0 602.731 7.137 40 30 KKEBRM N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408956452 1071377318 /nfs/dbraw/zinc/37/73/18/1071377318.db2.gz WVVYZJQKRSAQIW-FABQOPTDSA-N -1 0 607.710 7.425 40 30 KKEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956104 1071380624 /nfs/dbraw/zinc/38/06/24/1071380624.db2.gz WCVBXAWYZAFTIC-ZMOGYAJESA-N -1 0 561.476 6.148 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964558 1071417958 /nfs/dbraw/zinc/41/79/58/1071417958.db2.gz DPMMXKJKQBWAHW-NNEUGSMJSA-N -1 0 559.644 5.043 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)S2)cc1 ZINC000408964400 1071419432 /nfs/dbraw/zinc/41/94/32/1071419432.db2.gz RIJOYRLNSMFBEU-LPYMAVHISA-N -1 0 523.408 5.926 40 30 KKEBRM COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(OC)cc1 ZINC000408964130 1071420860 /nfs/dbraw/zinc/42/08/60/1071420860.db2.gz BUZLYMHCNWBXRF-SBZDMIGCSA-N -1 0 548.617 5.231 40 30 KKEBRM CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OCC(=O)[O-] ZINC000408969273 1071458845 /nfs/dbraw/zinc/45/88/45/1071458845.db2.gz KKFJTNRTMRWRKQ-KPGMTVGESA-N -1 0 660.574 7.494 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408987104 1071482428 /nfs/dbraw/zinc/48/24/28/1071482428.db2.gz AHTIUIXRRUTFSV-WJKFQJFPSA-N -1 0 685.765 6.625 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408985101 1071503373 /nfs/dbraw/zinc/50/33/73/1071503373.db2.gz VFZACSISMWZCSU-SXGWCWSVSA-N -1 0 519.779 5.041 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(I)cc(I)c3O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408726833 1071510896 /nfs/dbraw/zinc/51/08/96/1071510896.db2.gz VSVVCNYBDQOSTB-UILYKIRISA-N -1 0 652.295 7.027 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408983590 1071515128 /nfs/dbraw/zinc/51/51/28/1071515128.db2.gz MOPZHIBGCSMZGQ-JMIUGGIZSA-N -1 0 634.741 7.692 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408983449 1071516337 /nfs/dbraw/zinc/51/63/37/1071516337.db2.gz MEVPYTGGSOVPTA-IWIPYMOSSA-N -1 0 535.427 6.530 40 30 KKEBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408983148 1071518792 /nfs/dbraw/zinc/51/87/92/1071518792.db2.gz KYZMJJMJWVJJRD-FBHDLOMBSA-N -1 0 550.398 5.818 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(I)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408725397 1071520468 /nfs/dbraw/zinc/52/04/68/1071520468.db2.gz HUWXHNRWBCTUBS-BXHPTCRHSA-N -1 0 605.295 6.432 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000408982626 1071525077 /nfs/dbraw/zinc/52/50/77/1071525077.db2.gz INOZRWNLJCPRQX-HMAPJEAMSA-N -1 0 504.945 5.761 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408982644 1071525269 /nfs/dbraw/zinc/52/52/69/1071525269.db2.gz ISVNSQDJCVYPSY-MBTHVWNTSA-N -1 0 565.029 6.173 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408982930 1071522395 /nfs/dbraw/zinc/52/23/95/1071522395.db2.gz IXOPJIWJLDYAEM-BRPDVVIDSA-N -1 0 516.597 6.376 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1I ZINC000408723261 1071528871 /nfs/dbraw/zinc/52/88/71/1071528871.db2.gz SIXLPZSRCJBFSH-WUXMJOGZSA-N -1 0 685.108 5.599 40 30 KKEBRM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000408995212 1071554242 /nfs/dbraw/zinc/55/42/42/1071554242.db2.gz AWXAAEKYQCTGRK-HAHDFKILSA-N -1 0 610.482 6.279 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000408993309 1071567203 /nfs/dbraw/zinc/56/72/03/1071567203.db2.gz WCSPLOXGKKNJLR-FMWPKMHVSA-N -1 0 557.455 6.891 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408992119 1071575204 /nfs/dbraw/zinc/57/52/04/1071575204.db2.gz SAMRQJUPZOSDIT-XYGWBWBKSA-N -1 0 559.460 6.294 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408991908 1071576303 /nfs/dbraw/zinc/57/63/03/1071576303.db2.gz RLVVZFCVMZFTPW-CEUNXORHSA-N -1 0 546.623 6.385 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I ZINC000408991044 1071583670 /nfs/dbraw/zinc/58/36/70/1071583670.db2.gz YSNFNXBLPOCOGD-AUWJEWJLSA-N -1 0 648.622 5.089 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc(Br)cc(Br)c3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408728828 1071595219 /nfs/dbraw/zinc/59/52/19/1071595219.db2.gz UVTVBEXPUBYGHP-AMVVHIIESA-N -1 0 582.248 7.484 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc(I)cc(I)c3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408728129 1071597424 /nfs/dbraw/zinc/59/74/24/1071597424.db2.gz HZVTWSQCGVIKJJ-AMVVHIIESA-N -1 0 676.248 7.168 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)S2)c1 ZINC000408988644 1071603612 /nfs/dbraw/zinc/60/36/12/1071603612.db2.gz FEESKHAOYYKNOI-ZMFRSBBQSA-N -1 0 688.168 7.851 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408988663 1071604266 /nfs/dbraw/zinc/60/42/66/1071604266.db2.gz IUCIJKFGAQOJFM-OYKKKHCWSA-N -1 0 531.008 5.939 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000408988481 1071604697 /nfs/dbraw/zinc/60/46/97/1071604697.db2.gz IBJGYQLRLKAZHG-FCKPLEBVSA-N -1 0 527.429 6.882 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc(C)c1Br ZINC000408756340 1071639338 /nfs/dbraw/zinc/63/93/38/1071639338.db2.gz RLKRSFSEUXHMIC-NHDPSOOVSA-N -1 0 742.227 7.602 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408755606 1071643882 /nfs/dbraw/zinc/64/38/82/1071643882.db2.gz VZJCLRTWLDCWPL-FBHDLOMBSA-N -1 0 558.885 6.717 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)S2)cc1 ZINC000409001575 1071644535 /nfs/dbraw/zinc/64/45/35/1071644535.db2.gz WPUPOGIAYBGRAC-MTJSOVHGSA-N -1 0 696.304 6.373 40 30 KKEBRM O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408755157 1071646575 /nfs/dbraw/zinc/64/65/75/1071646575.db2.gz YZUFXDUOKTTWSJ-WLRTZDKTSA-N -1 0 533.585 5.370 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408753377 1071657953 /nfs/dbraw/zinc/65/79/53/1071657953.db2.gz MHXNEMJXUKJIAC-LPYMAVHISA-N -1 0 628.292 6.633 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408752133 1071667185 /nfs/dbraw/zinc/66/71/85/1071667185.db2.gz GAPQUMYBQCCJEP-MTDXEUNCSA-N -1 0 625.519 7.283 40 30 KKEBRM O=C1NC(=Nc2ccccc2Br)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000408750042 1071679889 /nfs/dbraw/zinc/67/98/89/1071679889.db2.gz WQEXYYIXJJHVRA-NTUHNPAUSA-N -1 0 533.039 5.571 40 30 KKEBRM Cc1ccc(NC(=O)c2c(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc3c2CCCCCC3)cc1C ZINC000409010192 1071692531 /nfs/dbraw/zinc/69/25/31/1071692531.db2.gz AXCKRMWVUUKTIA-KCSSXMTESA-N -1 0 526.658 7.985 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408758886 1071703019 /nfs/dbraw/zinc/70/30/19/1071703019.db2.gz TZUQETCZFCKYEK-BUVRLJJBSA-N -1 0 593.449 6.269 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409008246 1071700333 /nfs/dbraw/zinc/70/03/33/1071700333.db2.gz XCZRJPGQZYWJAX-ONUIUJJFSA-N -1 0 587.650 5.532 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408765805 1071722815 /nfs/dbraw/zinc/72/28/15/1071722815.db2.gz QKOUKDOOWXVOTE-PCLIKHOPSA-N -1 0 589.486 6.439 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)cc(C)c1Br ZINC000408765673 1071723270 /nfs/dbraw/zinc/72/32/70/1071723270.db2.gz ZKDCGXQVCMUWLO-GRSHGNNSSA-N -1 0 531.815 6.569 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408764360 1071729223 /nfs/dbraw/zinc/72/92/23/1071729223.db2.gz MLDLHTLNKHSUEJ-YDZHTSKRSA-N -1 0 635.312 6.366 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)ccc1Br ZINC000408764042 1071730068 /nfs/dbraw/zinc/73/00/68/1071730068.db2.gz VSDPFIJNBXPIKD-DJKKODMXSA-N -1 0 721.143 6.242 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c([O-])c(Br)c3)S2)cc(C)c1Br ZINC000408762462 1071735918 /nfs/dbraw/zinc/73/59/18/1071735918.db2.gz KYMRKUMRELSNJE-AUWJEWJLSA-N -1 0 561.093 6.188 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(I)c3)S2)cc(C)c1Br ZINC000408761243 1071740262 /nfs/dbraw/zinc/74/02/62/1071740262.db2.gz DGIZWOWKQKMXRP-PXNMLYILSA-N -1 0 587.233 5.026 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408776298 1071750398 /nfs/dbraw/zinc/75/03/98/1071750398.db2.gz YJCXWEWYWOHYKH-IENUPWEYSA-N -1 0 530.646 5.863 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1[C@H](C)C(=O)[O-] ZINC000409281021 1071758108 /nfs/dbraw/zinc/75/81/08/1071758108.db2.gz MUQNUYJXEKXMQC-OAHLLOKOSA-N -1 0 509.404 5.247 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409281000 1071757675 /nfs/dbraw/zinc/75/76/75/1071757675.db2.gz LOJAUXGAHUTELY-FQEVSTJZSA-N -1 0 625.479 6.714 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409280945 1071761516 /nfs/dbraw/zinc/76/15/16/1071761516.db2.gz CGODGBLCLTYJQC-UHFFFAOYSA-N -1 0 609.433 5.533 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409281067 1071758730 /nfs/dbraw/zinc/75/87/30/1071758730.db2.gz KGKMPSXSNWRRFX-UHFFFAOYSA-N -1 0 599.825 6.003 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408774060 1071762803 /nfs/dbraw/zinc/76/28/03/1071762803.db2.gz ACHRULDXKGONAW-LPYMAVHISA-N -1 0 516.937 5.043 40 30 KKEBRM O=C([O-])c1cccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2I)c1 ZINC000409280598 1071765672 /nfs/dbraw/zinc/76/56/72/1071765672.db2.gz BRLYWBARCWGKAB-UHFFFAOYSA-N -1 0 801.762 7.832 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408773899 1071765739 /nfs/dbraw/zinc/76/57/39/1071765739.db2.gz UEPWCQDRYAZXRN-PCLIKHOPSA-N -1 0 531.008 6.021 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000409280384 1071766859 /nfs/dbraw/zinc/76/68/59/1071766859.db2.gz BFMUTPYFBJTPSV-KRWDZBQOSA-N -1 0 551.521 5.554 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409280502 1071768963 /nfs/dbraw/zinc/76/89/63/1071768963.db2.gz KFSLYWTVJKPDFR-AWEZNQCLSA-N -1 0 734.195 7.230 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409279857 1071777754 /nfs/dbraw/zinc/77/77/54/1071777754.db2.gz IRVFFAPUUNUCBW-UHFFFAOYSA-N -1 0 546.023 6.266 40 30 KKEBRM COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409032331 1071779981 /nfs/dbraw/zinc/77/99/81/1071779981.db2.gz IPRHQUCDVRFQSS-IJFXDBOGSA-N -1 0 594.221 5.291 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2Br)cc1 ZINC000409032442 1071780792 /nfs/dbraw/zinc/78/07/92/1071780792.db2.gz JLKILQNWLKDGFG-PZOKPFNQSA-N -1 0 517.195 5.440 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409279220 1071787097 /nfs/dbraw/zinc/78/70/97/1071787097.db2.gz GZNSPLHOENVZBC-UHFFFAOYSA-N -1 0 590.474 6.375 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409278846 1071795457 /nfs/dbraw/zinc/79/54/57/1071795457.db2.gz GWZSXGWCERMDMU-UHFFFAOYSA-N -1 0 632.103 5.162 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409278889 1071796591 /nfs/dbraw/zinc/79/65/91/1071796591.db2.gz HAUXVYXLEGVUPX-CYBMUJFWSA-N -1 0 675.717 6.731 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409278894 1071796663 /nfs/dbraw/zinc/79/66/63/1071796663.db2.gz HAUXVYXLEGVUPX-ZDUSSCGKSA-N -1 0 675.717 6.731 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409278683 1071798076 /nfs/dbraw/zinc/79/80/76/1071798076.db2.gz DRYIWDJLNYIVDH-UHFFFAOYSA-N -1 0 579.996 6.631 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408768762 1071798772 /nfs/dbraw/zinc/79/87/72/1071798772.db2.gz IYWFYDZJXOVHAX-DJKKODMXSA-N -1 0 662.665 5.824 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409278603 1071801124 /nfs/dbraw/zinc/80/11/24/1071801124.db2.gz GGZRHRWIAQDMRX-UHFFFAOYSA-N -1 0 613.592 6.979 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408767654 1071807017 /nfs/dbraw/zinc/80/70/17/1071807017.db2.gz ZLLGUNDXQJNODT-SRZZPIQSSA-N -1 0 654.311 6.223 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1C(C)C ZINC000409278161 1071808751 /nfs/dbraw/zinc/80/87/51/1071808751.db2.gz DEIYXPWMOZZOBB-UHFFFAOYSA-N -1 0 535.600 6.653 40 30 KKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C4CCCCC4)C3=O)o2)c1 ZINC000408767441 1071809963 /nfs/dbraw/zinc/80/99/63/1071809963.db2.gz XRJJSXITUDZVKM-HVSIYQNKSA-N -1 0 507.011 7.235 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409277927 1071810543 /nfs/dbraw/zinc/81/05/43/1071810543.db2.gz BXXPLBFLTUMCFC-ZDUSSCGKSA-N -1 0 567.341 5.759 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408781802 1071813697 /nfs/dbraw/zinc/81/36/97/1071813697.db2.gz DUGNJGGCLLUINR-LPYMAVHISA-N -1 0 541.818 6.621 40 30 KKEBRM Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408782050 1071813742 /nfs/dbraw/zinc/81/37/42/1071813742.db2.gz GTKZDQLAPPCMTJ-XKZIYDEJSA-N -1 0 570.408 5.768 40 30 KKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)o1 ZINC000409277647 1071815522 /nfs/dbraw/zinc/81/55/22/1071815522.db2.gz BMSGWKZMIRQLHZ-UHFFFAOYSA-N -1 0 508.372 5.605 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409277632 1071815542 /nfs/dbraw/zinc/81/55/42/1071815542.db2.gz CDNAOVFEOGKXOT-UHFFFAOYSA-N -1 0 600.030 7.776 40 30 KKEBRM C[C@H](Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409277665 1071816099 /nfs/dbraw/zinc/81/60/99/1071816099.db2.gz BNXUKSHYYBLVTO-KRWDZBQOSA-N -1 0 531.490 5.970 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409277711 1071816679 /nfs/dbraw/zinc/81/66/79/1071816679.db2.gz CJLTZNGCURTKEB-UHFFFAOYSA-N -1 0 702.945 7.792 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2)c1 ZINC000408781173 1071820040 /nfs/dbraw/zinc/82/00/40/1071820040.db2.gz BEBGKIYKCQYHPE-UQLAIIKNSA-N -1 0 506.583 6.772 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c(I)c2)cc1C(C)C ZINC000409293995 1071823692 /nfs/dbraw/zinc/82/36/92/1071823692.db2.gz MTITYLBBGPSCSK-LJQANCHMSA-N -1 0 639.490 6.233 40 30 KKEBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)c1 ZINC000408780094 1071826043 /nfs/dbraw/zinc/82/60/43/1071826043.db2.gz RYEMPYHQYQNBFA-WSDLNYQXSA-N -1 0 577.378 5.025 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4C)c3C)cc21 ZINC000409293894 1071827038 /nfs/dbraw/zinc/82/70/38/1071827038.db2.gz MGAIPXGROAMDCM-UHFFFAOYSA-N -1 0 546.583 6.115 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Br)C(=O)[O-] ZINC000409293942 1071828070 /nfs/dbraw/zinc/82/80/70/1071828070.db2.gz MLQZYVZLUWAZHW-CYBMUJFWSA-N -1 0 690.142 6.831 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408779525 1071828743 /nfs/dbraw/zinc/82/87/43/1071828743.db2.gz XSJLAMWBYBUQFB-ZVHZXABRSA-N -1 0 535.427 6.584 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408779718 1071828870 /nfs/dbraw/zinc/82/88/70/1071828870.db2.gz ITYQAHRECOZKFN-WGOQTCKBSA-N -1 0 636.486 6.281 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409046751 1071830399 /nfs/dbraw/zinc/83/03/99/1071830399.db2.gz LWVQBPKYKNROOF-UHFFFAOYSA-N -1 0 689.416 7.700 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409293530 1071831808 /nfs/dbraw/zinc/83/18/08/1071831808.db2.gz KPSXDUOUYKEXBC-UHFFFAOYSA-N -1 0 588.498 6.150 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408778612 1071835329 /nfs/dbraw/zinc/83/53/29/1071835329.db2.gz INJFPEMWMLKLMB-TURZUDJPSA-N -1 0 502.570 6.122 40 30 KKEBRM O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC000409293163 1071841463 /nfs/dbraw/zinc/84/14/63/1071841463.db2.gz JJWUQVOUVFHCGB-UHFFFAOYSA-N -1 0 597.765 5.479 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(Br)cc(Br)c2[O-])sc2c1CCCC2 ZINC000408778070 1071839494 /nfs/dbraw/zinc/83/94/94/1071839494.db2.gz ABXIJNKUZYPCEA-WKIKZPBSSA-N -1 0 548.300 6.538 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409045708 1071839624 /nfs/dbraw/zinc/83/96/24/1071839624.db2.gz HEKDPSMOXCWIAJ-UHFFFAOYSA-N -1 0 651.414 8.649 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)cc1Br ZINC000409292981 1071844022 /nfs/dbraw/zinc/84/40/22/1071844022.db2.gz GGQQDILAPGHIJU-UHFFFAOYSA-N -1 0 615.278 5.652 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@H](C)C(=O)[O-])cc3Br)cc21 ZINC000409293061 1071845838 /nfs/dbraw/zinc/84/58/38/1071845838.db2.gz GXKZETAOCDIYPC-OAHLLOKOSA-N -1 0 592.402 5.324 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409292605 1071852938 /nfs/dbraw/zinc/85/29/38/1071852938.db2.gz FDIDFKOHPDDSGS-UHFFFAOYSA-N -1 0 595.406 5.188 40 30 KKEBRM CCCOc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409043380 1071860486 /nfs/dbraw/zinc/86/04/86/1071860486.db2.gz QMSCZJYTGCPJLJ-UHFFFAOYSA-N -1 0 567.274 5.498 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1C(C)C ZINC000409291351 1071875176 /nfs/dbraw/zinc/87/51/76/1071875176.db2.gz PNRXIXGLDWRKKW-UHFFFAOYSA-N -1 0 570.045 7.388 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000408782615 1071875526 /nfs/dbraw/zinc/87/55/26/1071875526.db2.gz XJOOGARCOACGSD-MLPAPPSSSA-N -1 0 581.069 5.873 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(OC)c([O-])c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409042114 1071872268 /nfs/dbraw/zinc/87/22/68/1071872268.db2.gz BJTJCBYBTBFEHX-UHFFFAOYSA-N -1 0 512.603 5.031 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408795515 1071882332 /nfs/dbraw/zinc/88/23/32/1071882332.db2.gz VPOCVBPFTSTEBH-FWGBRMSSSA-N -1 0 646.357 7.121 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408795072 1071883675 /nfs/dbraw/zinc/88/36/75/1071883675.db2.gz UPTZTYDTNZDRFM-SILRWXEESA-N -1 0 557.853 6.614 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408794913 1071883988 /nfs/dbraw/zinc/88/39/88/1071883988.db2.gz JPZOQUCOODATEI-GXMXPRDMSA-N -1 0 618.424 5.950 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1C(C)C ZINC000409291243 1071878547 /nfs/dbraw/zinc/87/85/47/1071878547.db2.gz XBNXPBXAAPUPNR-UHFFFAOYSA-N -1 0 731.587 7.667 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)C2=C1CCCC2=O ZINC000409041622 1071878889 /nfs/dbraw/zinc/87/88/89/1071878889.db2.gz KDTDEHPFZGMWEQ-UHFFFAOYSA-N -1 0 649.763 6.942 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409041456 1071879870 /nfs/dbraw/zinc/87/98/70/1071879870.db2.gz AEPAYGBLIXIXKV-UHFFFAOYSA-N -1 0 740.316 8.868 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408796176 1071879893 /nfs/dbraw/zinc/87/98/93/1071879893.db2.gz XHOAQQHIWRQMOZ-LNWFTCIHSA-N -1 0 591.900 7.557 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409290983 1071885417 /nfs/dbraw/zinc/88/54/17/1071885417.db2.gz OBCIBCICNMRFAG-UHFFFAOYSA-N -1 0 526.774 5.280 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408793169 1071887142 /nfs/dbraw/zinc/88/71/42/1071887142.db2.gz DHMNYTRCHTXELN-ZKEFIBFISA-N -1 0 533.562 5.505 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OCc2ccccc2F)C2=C1CCCC2=O ZINC000409040141 1071893074 /nfs/dbraw/zinc/89/30/74/1071893074.db2.gz FQJSTKIMRLMLNP-UHFFFAOYSA-N -1 0 544.406 6.210 40 30 KKEBRM C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409039796 1071894778 /nfs/dbraw/zinc/89/47/78/1071894778.db2.gz DPCSEIFWQROMPR-LICLKQGHSA-N -1 0 551.212 5.158 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408789423 1071895434 /nfs/dbraw/zinc/89/54/34/1071895434.db2.gz QDNYBHYCTFVATJ-UQTQCPSRSA-N -1 0 523.010 6.250 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408789664 1071895519 /nfs/dbraw/zinc/89/55/19/1071895519.db2.gz QTHZFDZFXWAPEV-CTMKFROTSA-N -1 0 693.357 6.963 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408789333 1071896081 /nfs/dbraw/zinc/89/60/81/1071896081.db2.gz OUKPTEBVVHNNKU-YVQDBNNVSA-N -1 0 528.340 5.549 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Br)cc1 ZINC000409289790 1071906393 /nfs/dbraw/zinc/90/63/93/1071906393.db2.gz PBAPCIMXBQTELP-UHFFFAOYSA-N -1 0 701.293 7.767 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408787344 1071900772 /nfs/dbraw/zinc/90/07/72/1071900772.db2.gz YEWVAEIPGPOXFG-LPYMAVHISA-N -1 0 551.426 6.284 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])c3)cc21 ZINC000409290065 1071901605 /nfs/dbraw/zinc/90/16/05/1071901605.db2.gz JRVBXKGQOPICBX-UHFFFAOYSA-N -1 0 624.993 6.539 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409289816 1071906953 /nfs/dbraw/zinc/90/69/53/1071906953.db2.gz IIGAEYJJYAYCHT-UHFFFAOYSA-N -1 0 629.305 6.213 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000409056648 1071920350 /nfs/dbraw/zinc/92/03/50/1071920350.db2.gz NDUZXQKTINEWPV-OVCLIPMQSA-N -1 0 540.595 5.096 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc3ccccc3c2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1 ZINC000409289279 1071917584 /nfs/dbraw/zinc/91/75/84/1071917584.db2.gz FPJPTTKBHJLRSE-UHFFFAOYSA-N -1 0 600.030 7.776 40 30 KKEBRM Cc1c(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409056704 1071920808 /nfs/dbraw/zinc/92/08/08/1071920808.db2.gz NKAZVJONNONQMC-FGZKNKNMSA-N -1 0 550.467 7.237 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409289069 1071919242 /nfs/dbraw/zinc/91/92/42/1071919242.db2.gz DORPIYPCLLEKAC-GOSISDBHSA-N -1 0 637.487 6.299 40 30 KKEBRM CCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC ZINC000409056352 1071922073 /nfs/dbraw/zinc/92/20/73/1071922073.db2.gz DDTFHZJXJLKBQW-DLIIZKKJSA-N -1 0 505.390 5.179 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409055691 1071925179 /nfs/dbraw/zinc/92/51/79/1071925179.db2.gz DDVOYSBDHZOZNF-KPBLUWHNSA-N -1 0 614.461 6.201 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409288541 1071929474 /nfs/dbraw/zinc/92/94/74/1071929474.db2.gz HPISEHZMMBNTQM-UHFFFAOYSA-N -1 0 570.827 5.543 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409054990 1071930067 /nfs/dbraw/zinc/93/00/67/1071930067.db2.gz OVQPTHGBDZWAKL-OEXTVKITSA-N -1 0 533.562 5.505 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1C(C)C ZINC000409288378 1071932214 /nfs/dbraw/zinc/93/22/14/1071932214.db2.gz GTQNLRWHISQAFX-UHFFFAOYSA-N -1 0 556.018 6.998 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br)C(=O)[O-] ZINC000409288153 1071932748 /nfs/dbraw/zinc/93/27/48/1071932748.db2.gz DGQTZKNWLADZBC-CQSZACIVSA-N -1 0 566.795 5.960 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OC(C)C ZINC000409053014 1071942890 /nfs/dbraw/zinc/94/28/90/1071942890.db2.gz GFBDDVDFHJNFPM-LTMWAVIFSA-N -1 0 519.417 5.567 40 30 KKEBRM O=C([O-])c1cccc(COc2c(I)cc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2I)c1 ZINC000409287399 1071944250 /nfs/dbraw/zinc/94/42/50/1071944250.db2.gz UVBCTHXHBOQGPU-UHFFFAOYSA-N -1 0 733.344 6.813 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409297256 1071949489 /nfs/dbraw/zinc/94/94/89/1071949489.db2.gz SWOMIKKQDIIJMI-GOSISDBHSA-N -1 0 656.961 7.053 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409051709 1071950251 /nfs/dbraw/zinc/95/02/51/1071950251.db2.gz CEGOORLRSBYACR-UCQKPKSFSA-N -1 0 598.460 6.132 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409296672 1071958940 /nfs/dbraw/zinc/95/89/40/1071958940.db2.gz UUJOHPFETFVAKN-UHFFFAOYSA-N -1 0 585.798 5.442 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c([O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000409296703 1071959309 /nfs/dbraw/zinc/95/93/09/1071959309.db2.gz RANGAKZLTKKALX-UHFFFAOYSA-N -1 0 520.973 6.043 40 30 KKEBRM O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)cc1[N+](=O)[O-] ZINC000409296738 1071955036 /nfs/dbraw/zinc/95/50/36/1071955036.db2.gz RFEQLDCYIOBRLT-UHFFFAOYSA-N -1 0 597.765 5.479 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409296834 1071956724 /nfs/dbraw/zinc/95/67/24/1071956724.db2.gz RSGHDOXSURFLKR-HNNXBMFYSA-N -1 0 604.379 5.978 40 30 KKEBRM Cc1ccc(COc2c(Br)cc(Br)cc2C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409049118 1071965632 /nfs/dbraw/zinc/96/56/32/1071965632.db2.gz URFLIFKRDFZYMF-UHFFFAOYSA-N -1 0 685.453 7.869 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409048678 1071970449 /nfs/dbraw/zinc/97/04/49/1071970449.db2.gz UKIQYXBDALINAI-FYJGNVAPSA-N -1 0 521.356 5.251 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)cc2I)c1 ZINC000409295853 1071974429 /nfs/dbraw/zinc/97/44/29/1071974429.db2.gz RPZNFJQBHWZNRV-UHFFFAOYSA-N -1 0 641.421 6.574 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409295628 1071975511 /nfs/dbraw/zinc/97/55/11/1071975511.db2.gz FUWFINHONVXKLQ-UHFFFAOYSA-N -1 0 521.415 5.444 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCC(=O)[O-] ZINC000409295693 1071976736 /nfs/dbraw/zinc/97/67/36/1071976736.db2.gz RHMTZGOBOXFGGI-UHFFFAOYSA-N -1 0 517.925 5.207 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2)c(C(=O)[O-])c1 ZINC000409047747 1071977794 /nfs/dbraw/zinc/97/77/94/1071977794.db2.gz PIJFFCIUEDRCPZ-UHFFFAOYSA-N -1 0 500.591 6.364 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000409295292 1071979896 /nfs/dbraw/zinc/97/98/96/1071979896.db2.gz OACOZWMNCUGZGH-UHFFFAOYSA-N -1 0 673.863 7.293 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409295223 1071983853 /nfs/dbraw/zinc/98/38/53/1071983853.db2.gz QGQBFJZNALDABF-UHFFFAOYSA-N -1 0 717.370 7.893 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C)cc1C(C)C ZINC000409295009 1071984766 /nfs/dbraw/zinc/98/47/66/1071984766.db2.gz CRPHXDCPLDIJHA-UHFFFAOYSA-N -1 0 654.767 8.071 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409057795 1071990765 /nfs/dbraw/zinc/99/07/65/1071990765.db2.gz MGIXFMCPGASJTD-VLGKMFQTSA-N -1 0 597.520 7.632 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409057336 1071993543 /nfs/dbraw/zinc/99/35/43/1071993543.db2.gz JXKOJXJQFGIADU-WCQUZOIFSA-N -1 0 616.331 7.113 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000409066404 1071994733 /nfs/dbraw/zinc/99/47/33/1071994733.db2.gz MZXCKECJGDNYCA-UHFFFAOYSA-N -1 0 580.096 7.218 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409065041 1071995395 /nfs/dbraw/zinc/99/53/95/1071995395.db2.gz GUGWCNLZTUDMCE-UHFFFAOYSA-N -1 0 713.828 6.521 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1cccc2ccccc21 ZINC000409065110 1071995820 /nfs/dbraw/zinc/99/58/20/1071995820.db2.gz HLQAJOGILDGMKJ-UHFFFAOYSA-N -1 0 686.643 8.350 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC000409065072 1071995953 /nfs/dbraw/zinc/99/59/53/1071995953.db2.gz FYKOVSPBPCMYOI-UHFFFAOYSA-N -1 0 685.453 7.603 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409066709 1072001130 /nfs/dbraw/zinc/00/11/30/1072001130.db2.gz MBXDOOLWHLQLQC-UHFFFAOYSA-N -1 0 647.335 6.818 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409066747 1072001743 /nfs/dbraw/zinc/00/17/43/1072001743.db2.gz NVWIIJUCJQNHQK-UHFFFAOYSA-N -1 0 596.551 7.733 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)C2=C1CC(C)(C)CC2=O ZINC000409066591 1072002528 /nfs/dbraw/zinc/00/25/28/1072002528.db2.gz BYSNORKILZIPOQ-UHFFFAOYSA-N -1 0 541.688 7.059 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409067260 1071997638 /nfs/dbraw/zinc/99/76/38/1071997638.db2.gz PYSVQFSXELFQRC-UHFFFAOYSA-N -1 0 571.714 7.068 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1 ZINC000409294365 1071998673 /nfs/dbraw/zinc/99/86/73/1071998673.db2.gz LZVKWFMDLCJTAJ-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409066998 1071999157 /nfs/dbraw/zinc/99/91/57/1071999157.db2.gz NENXXDMVYFROBX-PCLIKHOPSA-N -1 0 530.552 5.207 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066978 1071999218 /nfs/dbraw/zinc/99/92/18/1071999218.db2.gz OIYUXYMSGKTTKT-YDZHTSKRSA-N -1 0 547.951 5.231 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409065615 1072009688 /nfs/dbraw/zinc/00/96/88/1072009688.db2.gz JRXVHOAJBMVWSE-UHFFFAOYSA-N -1 0 618.170 7.426 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065660 1072007193 /nfs/dbraw/zinc/00/71/93/1072007193.db2.gz IPHOZRSSDKHNRN-UHFFFAOYSA-N -1 0 586.062 5.004 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409306939 1072007877 /nfs/dbraw/zinc/00/78/77/1072007877.db2.gz SMGQTLNXBSWCIN-UHFFFAOYSA-N -1 0 628.468 7.675 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)cc1C(C)C ZINC000409306672 1072008452 /nfs/dbraw/zinc/00/84/52/1072008452.db2.gz QLVFJOCAWGPBMS-UHFFFAOYSA-N -1 0 596.083 7.317 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409065587 1072009083 /nfs/dbraw/zinc/00/90/83/1072009083.db2.gz HUNJULAHFAZGAT-WGOQTCKBSA-N -1 0 545.035 6.329 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065425 1072009969 /nfs/dbraw/zinc/00/99/69/1072009969.db2.gz LQBKNUYPWFWHSU-UHFFFAOYSA-N -1 0 640.154 6.123 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCC ZINC000409065945 1072005427 /nfs/dbraw/zinc/00/54/27/1072005427.db2.gz ODJBQHLFICVTAK-UHFFFAOYSA-N -1 0 532.431 5.135 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)cc21 ZINC000409306814 1072005958 /nfs/dbraw/zinc/00/59/58/1072005958.db2.gz QEAMEGKYWKTMSZ-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409064453 1072014017 /nfs/dbraw/zinc/01/40/17/1072014017.db2.gz HDKIZHLTFUITAZ-TWKHWXDSSA-N -1 0 623.105 7.292 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(C)cc1 ZINC000409064561 1072015170 /nfs/dbraw/zinc/01/51/70/1072015170.db2.gz HLRCQOJGUQEDNZ-UHFFFAOYSA-N -1 0 611.779 7.471 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064913 1072011521 /nfs/dbraw/zinc/01/15/21/1072011521.db2.gz JBTBVXFVWGVTHJ-UHFFFAOYSA-N -1 0 566.448 5.778 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409064754 1072012335 /nfs/dbraw/zinc/01/23/35/1072012335.db2.gz FWQILYDVDZQXKC-UHFFFAOYSA-N -1 0 596.551 7.733 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1cccc2ccccc21 ZINC000409064760 1072012435 /nfs/dbraw/zinc/01/24/35/1072012435.db2.gz FYQUZWXLJGNFGP-UHFFFAOYSA-N -1 0 633.785 7.926 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064088 1072017522 /nfs/dbraw/zinc/01/75/22/1072017522.db2.gz GCXBWJGRUCOZTC-UHFFFAOYSA-N -1 0 668.208 6.615 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409064106 1072018008 /nfs/dbraw/zinc/01/80/08/1072018008.db2.gz GFBWAHVLGXTXPP-UHFFFAOYSA-N -1 0 686.621 6.304 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409063634 1072020194 /nfs/dbraw/zinc/02/01/94/1072020194.db2.gz DBCSFGQGELQDIO-VUTHCHCSSA-N -1 0 562.622 6.221 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409063385 1072021597 /nfs/dbraw/zinc/02/15/97/1072021597.db2.gz BASUFNLVHKCJNO-CIAFOILYSA-N -1 0 582.396 5.884 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409063418 1072021959 /nfs/dbraw/zinc/02/19/59/1072021959.db2.gz BLYKADURBKPRCT-UHFFFAOYSA-N -1 0 636.583 7.058 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@H](C)C(=O)[O-])ccc2ccccc21 ZINC000409305132 1072029043 /nfs/dbraw/zinc/02/90/43/1072029043.db2.gz MWWHGNDBXBRNFY-OAHLLOKOSA-N -1 0 508.372 5.170 40 30 KKEBRM C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409305048 1072032460 /nfs/dbraw/zinc/03/24/60/1072032460.db2.gz MPZOHFTUKMNBCY-CQSZACIVSA-N -1 0 532.896 5.105 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCC(C)C ZINC000409060373 1072034270 /nfs/dbraw/zinc/03/42/70/1072034270.db2.gz RHKPWLLEPTXABC-GFSFEPBKSA-N -1 0 547.471 6.205 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409074494 1072040889 /nfs/dbraw/zinc/04/08/89/1072040889.db2.gz MCUWXIREDSVRHA-YDZHTSKRSA-N -1 0 551.426 6.284 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC(=O)[O-] ZINC000409067339 1072039249 /nfs/dbraw/zinc/03/92/49/1072039249.db2.gz OYUSGOCFFPRBFQ-UHFFFAOYSA-N -1 0 551.680 5.219 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)cc1C(C)C ZINC000409304436 1072040218 /nfs/dbraw/zinc/04/02/18/1072040218.db2.gz KCLRYVVGGFEYJD-UHFFFAOYSA-N -1 0 561.638 6.663 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409304103 1072043479 /nfs/dbraw/zinc/04/34/79/1072043479.db2.gz KEOCXLRNDUAIKZ-INIZCTEOSA-N -1 0 576.403 5.705 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076926 1072045297 /nfs/dbraw/zinc/04/52/97/1072045297.db2.gz CKTNBIYVTCPPFL-FYJGNVAPSA-N -1 0 637.399 5.851 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409303943 1072045271 /nfs/dbraw/zinc/04/52/71/1072045271.db2.gz IQPFLVKWIYWMLX-UHFFFAOYSA-N -1 0 604.707 6.729 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409303938 1072045372 /nfs/dbraw/zinc/04/53/72/1072045372.db2.gz IOWXUPOKOWUKQZ-UHFFFAOYSA-N -1 0 676.305 5.884 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409303963 1072045442 /nfs/dbraw/zinc/04/54/42/1072045442.db2.gz PEUJCIQVPQHIOW-UHFFFAOYSA-N -1 0 604.501 6.765 40 30 KKEBRM O=C([O-])COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl ZINC000409303734 1072050563 /nfs/dbraw/zinc/05/05/63/1072050563.db2.gz OGMLFBVPMPBERS-UHFFFAOYSA-N -1 0 518.795 5.206 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076490 1072050906 /nfs/dbraw/zinc/05/09/06/1072050906.db2.gz AELHKHVWXBTYNH-LDADJPATSA-N -1 0 578.921 5.352 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(OCC(=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409076534 1072051162 /nfs/dbraw/zinc/05/11/62/1072051162.db2.gz AJPKYSPRFRUCGD-RXXZHPLBSA-N -1 0 525.070 7.019 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076123 1072055709 /nfs/dbraw/zinc/05/57/09/1072055709.db2.gz YARTWWRPPOUABZ-UHFFFAOYSA-N -1 0 609.513 7.135 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000409076155 1072053212 /nfs/dbraw/zinc/05/32/12/1072053212.db2.gz YTIZQGVCYWQZPX-UHFFFAOYSA-N -1 0 698.235 7.986 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-] ZINC000409303330 1072053666 /nfs/dbraw/zinc/05/36/66/1072053666.db2.gz IIPNVHPLKVXYDD-NSHDSACASA-N -1 0 585.680 5.607 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])c(Br)c2Br)cc1C(C)C ZINC000409302605 1072063230 /nfs/dbraw/zinc/06/32/30/1072063230.db2.gz GNCSNBBARNZJIW-UHFFFAOYSA-N -1 0 673.358 6.383 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409302578 1072062839 /nfs/dbraw/zinc/06/28/39/1072062839.db2.gz JLUAALYAVJYLDC-UHFFFAOYSA-N -1 0 543.421 5.695 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075404 1072060121 /nfs/dbraw/zinc/06/01/21/1072060121.db2.gz YHRKWTLLDPHSRH-UHFFFAOYSA-N -1 0 721.066 7.039 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409075470 1072060201 /nfs/dbraw/zinc/06/02/01/1072060201.db2.gz ZBVLISUCFLWZGB-UHFFFAOYSA-N -1 0 666.642 8.470 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2)cc1 ZINC000409075527 1072060516 /nfs/dbraw/zinc/06/05/16/1072060516.db2.gz WQIXCTBOWLBGLO-UHFFFAOYSA-N -1 0 527.661 6.426 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409075528 1072060592 /nfs/dbraw/zinc/06/05/92/1072060592.db2.gz RJPITIOVTXJWHY-BUVRLJJBSA-N -1 0 532.980 5.331 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409302768 1072061677 /nfs/dbraw/zinc/06/16/77/1072061677.db2.gz KBYASFTUOPOHIL-CQSZACIVSA-N -1 0 654.299 5.554 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409075122 1072062250 /nfs/dbraw/zinc/06/22/50/1072062250.db2.gz UTDXTJQHIULQCS-KOEQRZSOSA-N -1 0 512.562 5.068 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409074375 1072069060 /nfs/dbraw/zinc/06/90/60/1072069060.db2.gz QJUCJVCFYJPYQI-UHFFFAOYSA-N -1 0 691.540 5.264 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1O[C@H](C)C(=O)[O-] ZINC000409302471 1072065460 /nfs/dbraw/zinc/06/54/60/1072065460.db2.gz GAIQCPJVCQFKON-OAHLLOKOSA-N -1 0 609.376 5.157 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074370 1072069180 /nfs/dbraw/zinc/06/91/80/1072069180.db2.gz QHBLSQDDRZOCEY-UHFFFAOYSA-N -1 0 697.610 7.673 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074251 1072068191 /nfs/dbraw/zinc/06/81/91/1072068191.db2.gz PNIZRIIPFZWBOK-UHFFFAOYSA-N -1 0 673.850 8.629 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409074155 1072070101 /nfs/dbraw/zinc/07/01/01/1072070101.db2.gz YGVCWIPUICDVJW-UHFFFAOYSA-N -1 0 621.512 5.859 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409073959 1072070553 /nfs/dbraw/zinc/07/05/53/1072070553.db2.gz OLTQTUXNMBWBMG-ZVHZXABRSA-N -1 0 548.998 6.160 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409073962 1072070647 /nfs/dbraw/zinc/07/06/47/1072070647.db2.gz ONMBYZCYIZVASN-BUVRLJJBSA-N -1 0 545.523 5.107 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3cccc(Cl)c3)c(Br)c2)C2=C1CCCC2=O ZINC000409073998 1072070691 /nfs/dbraw/zinc/07/06/91/1072070691.db2.gz OZUKJZPIVQSSCF-UHFFFAOYSA-N -1 0 584.894 6.570 40 30 KKEBRM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409073286 1072076643 /nfs/dbraw/zinc/07/66/43/1072076643.db2.gz GSMNJHAHAVYLQN-UHFFFAOYSA-N -1 0 530.061 5.526 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000409301611 1072076753 /nfs/dbraw/zinc/07/67/53/1072076753.db2.gz BDOSEQYJIDAKBJ-UHFFFAOYSA-N -1 0 556.800 5.289 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)[O-] ZINC000409073891 1072072062 /nfs/dbraw/zinc/07/20/62/1072072062.db2.gz JHLBFFSCFQGNMG-UHFFFAOYSA-N -1 0 516.034 5.518 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409073927 1072072140 /nfs/dbraw/zinc/07/21/40/1072072140.db2.gz OCMYNLINWIYNQL-UHFFFAOYSA-N -1 0 661.839 8.706 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073556 1072074323 /nfs/dbraw/zinc/07/43/23/1072074323.db2.gz ZWWZNHJROJFYDX-HYARGMPZSA-N -1 0 615.491 5.863 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409073068 1072077100 /nfs/dbraw/zinc/07/71/00/1072077100.db2.gz ORGMNUVWAHYUJG-UHFFFAOYSA-N -1 0 535.036 7.017 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC(=O)[O-] ZINC000409073362 1072075138 /nfs/dbraw/zinc/07/51/38/1072075138.db2.gz HDHWBMPFGREEPS-UHFFFAOYSA-N -1 0 565.707 5.609 40 30 KKEBRM C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409073642 1072075182 /nfs/dbraw/zinc/07/51/82/1072075182.db2.gz WQWCEVFSVAJMLS-LICLKQGHSA-N -1 0 553.228 5.711 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409073630 1072075234 /nfs/dbraw/zinc/07/52/34/1072075234.db2.gz QSLOLWOXILNQIF-HZHRSRAPSA-N -1 0 560.990 5.109 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409301567 1072075802 /nfs/dbraw/zinc/07/58/02/1072075802.db2.gz ATIKDKQAXBCMTR-UHFFFAOYSA-N -1 0 612.908 6.668 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)[O-] ZINC000409073231 1072076095 /nfs/dbraw/zinc/07/60/95/1072076095.db2.gz GGDJTVVTIKDZHZ-UHFFFAOYSA-N -1 0 607.485 5.469 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC(=O)[O-] ZINC000409072238 1072083948 /nfs/dbraw/zinc/08/39/48/1072083948.db2.gz UOTKTHQFRVEEPE-UHFFFAOYSA-N -1 0 507.627 5.250 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409301672 1072077638 /nfs/dbraw/zinc/07/76/38/1072077638.db2.gz BTJYXLAGRULWCK-UHFFFAOYSA-N -1 0 685.531 7.334 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409072224 1072084078 /nfs/dbraw/zinc/08/40/78/1072084078.db2.gz JINQXTNLIZBXQO-UHFFFAOYSA-N -1 0 533.415 5.321 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409072817 1072079353 /nfs/dbraw/zinc/07/93/53/1072079353.db2.gz DSIOQXVPHXUEIM-ZVHZXABRSA-N -1 0 545.523 5.107 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409301114 1072081332 /nfs/dbraw/zinc/08/13/32/1072081332.db2.gz ZQOIVERJGSBMRO-CQSZACIVSA-N -1 0 562.922 5.114 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409301087 1072084540 /nfs/dbraw/zinc/08/45/40/1072084540.db2.gz DDFGMOJBKQJBKB-MRXNPFEDSA-N -1 0 613.306 6.594 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC(=O)[O-] ZINC000409072554 1072082264 /nfs/dbraw/zinc/08/22/64/1072082264.db2.gz SQISJRDCXLOPPB-UHFFFAOYSA-N -1 0 507.627 5.203 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409301227 1072082882 /nfs/dbraw/zinc/08/28/82/1072082882.db2.gz DGEYHBNDTOWHAC-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072471 1072083537 /nfs/dbraw/zinc/08/35/37/1072083537.db2.gz VPGSKWZYJIFLNP-UHFFFAOYSA-N -1 0 672.649 9.199 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409071271 1072090916 /nfs/dbraw/zinc/09/09/16/1072090916.db2.gz GIZPLDMTUQSDMN-UHFFFAOYSA-N -1 0 576.454 5.259 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1 ZINC000409071609 1072087373 /nfs/dbraw/zinc/08/73/73/1072087373.db2.gz KOXIZWQIKSKRSM-UHFFFAOYSA-N -1 0 683.583 7.039 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409071720 1072087825 /nfs/dbraw/zinc/08/78/25/1072087825.db2.gz LBOYYMONPGPFJR-UHFFFAOYSA-N -1 0 634.932 5.758 40 30 KKEBRM C[C@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409300794 1072087866 /nfs/dbraw/zinc/08/78/66/1072087866.db2.gz ACFNGPMVMAIZHL-AWEZNQCLSA-N -1 0 560.326 5.579 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000409071457 1072088327 /nfs/dbraw/zinc/08/83/27/1072088327.db2.gz RLNJXWFAXNROOS-UHFFFAOYSA-N -1 0 574.512 6.017 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409071546 1072088716 /nfs/dbraw/zinc/08/87/16/1072088716.db2.gz HBSHTOFXKBJTBF-UHFFFAOYSA-N -1 0 534.480 6.552 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071322 1072089174 /nfs/dbraw/zinc/08/91/74/1072089174.db2.gz JFZWDTSXYUKBRA-UHFFFAOYSA-N -1 0 521.997 5.669 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409071305 1072091292 /nfs/dbraw/zinc/09/12/92/1072091292.db2.gz JFDOOMLJQAFKSC-YDZHTSKRSA-N -1 0 520.944 5.462 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000409071308 1072091319 /nfs/dbraw/zinc/09/13/19/1072091319.db2.gz JFEOADYQCYGROG-UHFFFAOYSA-N -1 0 612.166 8.233 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409071033 1072091333 /nfs/dbraw/zinc/09/13/33/1072091333.db2.gz MZHYPPGGGCJEEV-UHFFFAOYSA-N -1 0 670.224 6.975 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071406 1072089563 /nfs/dbraw/zinc/08/95/63/1072089563.db2.gz OCJFYOUSXAQRGS-UHFFFAOYSA-N -1 0 541.644 6.134 40 30 KKEBRM C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409299932 1072098320 /nfs/dbraw/zinc/09/83/20/1072098320.db2.gz WCPQQZICVHQLGL-UHFFFAOYSA-N -1 0 576.447 5.754 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000409069915 1072099154 /nfs/dbraw/zinc/09/91/54/1072099154.db2.gz BNPNDZXGEVUDJT-UHFFFAOYSA-N -1 0 557.687 6.435 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409070991 1072092874 /nfs/dbraw/zinc/09/28/74/1072092874.db2.gz PPYFRMHYMOFQSY-BUVRLJJBSA-N -1 0 577.431 5.527 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409300111 1072093436 /nfs/dbraw/zinc/09/34/36/1072093436.db2.gz WVWORULTODASFX-UHFFFAOYSA-N -1 0 643.099 8.030 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409070590 1072093468 /nfs/dbraw/zinc/09/34/68/1072093468.db2.gz CLEWYDFONZAFEM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/09/55/03/1072095503.db2.gz WHMUAXBAIWDNAD-UHFFFAOYSA-N -1 0 795.293 7.451 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409070148 1072096546 /nfs/dbraw/zinc/09/65/46/1072096546.db2.gz NDCLZUJGQLMTLN-WSDLNYQXSA-N -1 0 553.398 5.682 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409070185 1072096724 /nfs/dbraw/zinc/09/67/24/1072096724.db2.gz DUCYXDBCIFDHQT-ZVHZXABRSA-N -1 0 576.005 5.929 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070272 1072097423 /nfs/dbraw/zinc/09/74/23/1072097423.db2.gz YOOYAVSANKEZTN-UHFFFAOYSA-N -1 0 768.066 6.881 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)C2=C1CCCC2=O ZINC000409069961 1072099078 /nfs/dbraw/zinc/09/90/78/1072099078.db2.gz KDXXUTOEBKBDQK-UHFFFAOYSA-N -1 0 590.503 7.614 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000409299784 1072100285 /nfs/dbraw/zinc/10/02/85/1072100285.db2.gz RXUHBGZGQILHQV-UHFFFAOYSA-N -1 0 622.943 6.803 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069793 1072100438 /nfs/dbraw/zinc/10/04/38/1072100438.db2.gz AHGWXKNTABLHMS-UHFFFAOYSA-N -1 0 597.752 7.406 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409069537 1072103088 /nfs/dbraw/zinc/10/30/88/1072103088.db2.gz DHLSDDTUXWPRRD-YDZHTSKRSA-N -1 0 537.399 5.976 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000409069534 1072103139 /nfs/dbraw/zinc/10/31/39/1072103139.db2.gz DHHVWBPDKZFVDS-UHFFFAOYSA-N -1 0 619.339 7.223 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409069229 1072105363 /nfs/dbraw/zinc/10/53/63/1072105363.db2.gz VHNYWYMLXDCDCX-CIAFOILYSA-N -1 0 571.844 6.629 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068869 1072107321 /nfs/dbraw/zinc/10/73/21/1072107321.db2.gz JSFZPSIVLPINHM-YDZHTSKRSA-N -1 0 596.423 6.274 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccccc1 ZINC000409069007 1072106344 /nfs/dbraw/zinc/10/63/44/1072106344.db2.gz VGYWQCYRGLCBKJ-UHFFFAOYSA-N -1 0 606.557 7.188 40 30 KKEBRM C[C@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000409298785 1072112701 /nfs/dbraw/zinc/11/27/01/1072112701.db2.gz XSGCIVZGWDOWBP-AWEZNQCLSA-N -1 0 577.347 5.215 40 30 KKEBRM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409068143 1072113117 /nfs/dbraw/zinc/11/31/17/1072113117.db2.gz HNAAZZFDRROXOW-UHFFFAOYSA-N -1 0 620.584 7.822 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409068103 1072113134 /nfs/dbraw/zinc/11/31/34/1072113134.db2.gz FRSHDHMAJGMANK-UHFFFAOYSA-N -1 0 761.551 9.417 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409068203 1072113684 /nfs/dbraw/zinc/11/36/84/1072113684.db2.gz TUEUYJQFVHZBFR-UHFFFAOYSA-N -1 0 641.548 7.641 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409068770 1072109310 /nfs/dbraw/zinc/10/93/10/1072109310.db2.gz VHZDRCCJYMOFJF-UHFFFAOYSA-N -1 0 604.538 5.643 40 30 KKEBRM C#CCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(CCC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409068451 1072111245 /nfs/dbraw/zinc/11/12/45/1072111245.db2.gz APUUREGAYHHLJB-UHFFFAOYSA-N -1 0 544.475 6.166 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OC ZINC000409067680 1072115628 /nfs/dbraw/zinc/11/56/28/1072115628.db2.gz PGQPKJHFUPEYFZ-UHFFFAOYSA-N -1 0 607.485 5.469 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080935 1072119663 /nfs/dbraw/zinc/11/96/63/1072119663.db2.gz OJQCYAFEQNPGAY-UHFFFAOYSA-N -1 0 649.018 7.346 40 30 KKEBRM COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409298234 1072121287 /nfs/dbraw/zinc/12/12/87/1072121287.db2.gz YSDXYALDUNHTNF-UHFFFAOYSA-N -1 0 680.147 6.160 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c(Br)c3)c2C(=O)NCc2ccco2)C1 ZINC000409080241 1072124101 /nfs/dbraw/zinc/12/41/01/1072124101.db2.gz MLPHWVQWDVUPDD-DBUPPGCOSA-N -1 0 594.369 7.403 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(O[C@@H](C)C(=O)[O-])ccc3ccccc32)cc1C(C)C ZINC000409298012 1072126306 /nfs/dbraw/zinc/12/63/06/1072126306.db2.gz MBUFZWRNFDYTIW-NRFANRHFSA-N -1 0 549.627 6.391 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409080005 1072127849 /nfs/dbraw/zinc/12/78/49/1072127849.db2.gz CUBBSTFHGXVIPY-XRNVTWDNSA-N -1 0 561.103 8.514 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)cc1C(C)C ZINC000409297671 1072129373 /nfs/dbraw/zinc/12/93/73/1072129373.db2.gz UTZFIIXRLKPAIL-UHFFFAOYSA-N -1 0 625.725 8.207 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@@H](C)C(=O)[O-])c(OCC)c2)cc1C(C)C ZINC000409297322 1072133166 /nfs/dbraw/zinc/13/31/66/1072133166.db2.gz KGCRBLZKPUKQIR-FQEVSTJZSA-N -1 0 683.543 6.631 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OCC)c1OCC(=O)[O-] ZINC000409314891 1072139400 /nfs/dbraw/zinc/13/94/00/1072139400.db2.gz SYKWRIAWOPTGDC-UHFFFAOYSA-N -1 0 568.468 5.680 40 30 KKEBRM Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409079467 1072135455 /nfs/dbraw/zinc/13/54/55/1072135455.db2.gz JWAZFYNNBHQODU-QIRQOOSRSA-N -1 0 553.728 8.008 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079293 1072136775 /nfs/dbraw/zinc/13/67/75/1072136775.db2.gz JDQXGSLGPKTWPP-UDWIEESQSA-N -1 0 578.921 5.352 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCC(=O)[O-] ZINC000409314700 1072140198 /nfs/dbraw/zinc/14/01/98/1072140198.db2.gz SWNPZYIZGORPDJ-CYBMUJFWSA-N -1 0 581.261 5.179 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078423 1072146110 /nfs/dbraw/zinc/14/61/10/1072146110.db2.gz CSIXNOKUVGLMLU-UHFFFAOYSA-N -1 0 626.628 7.566 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409314535 1072143679 /nfs/dbraw/zinc/14/36/79/1072143679.db2.gz GPCVSMCCERUQEN-HNNXBMFYSA-N -1 0 786.202 7.041 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(OCC)c1 ZINC000409313620 1072151003 /nfs/dbraw/zinc/15/10/03/1072151003.db2.gz CXYRGBGZUNSMEJ-CYBMUJFWSA-N -1 0 581.261 5.007 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409077852 1072152438 /nfs/dbraw/zinc/15/24/38/1072152438.db2.gz GEPIUOAZEYGDLW-UHFFFAOYSA-N -1 0 691.285 6.318 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409086504 1072163848 /nfs/dbraw/zinc/16/38/48/1072163848.db2.gz DZBHDOMLUFNSRD-UHFFFAOYSA-N -1 0 626.416 5.946 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC000409312130 1072164477 /nfs/dbraw/zinc/16/44/77/1072164477.db2.gz DAAMMZSJBDBDTG-UHFFFAOYSA-N -1 0 570.443 6.424 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085811 1072173272 /nfs/dbraw/zinc/17/32/72/1072173272.db2.gz ZRAINWREHYCULA-UHFFFAOYSA-N -1 0 626.584 6.641 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409311201 1072173412 /nfs/dbraw/zinc/17/34/12/1072173412.db2.gz DTIAZKNGORFANG-GFCCVEGCSA-N -1 0 585.680 5.652 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409310932 1072176925 /nfs/dbraw/zinc/17/69/25/1072176925.db2.gz XJERMEIJOACLNR-UHFFFAOYSA-N -1 0 609.433 5.578 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409310658 1072179647 /nfs/dbraw/zinc/17/96/47/1072179647.db2.gz CAUVXXKPBJANIE-UHFFFAOYSA-N -1 0 520.383 5.271 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409310224 1072184819 /nfs/dbraw/zinc/18/48/19/1072184819.db2.gz SHSHIFUFJNXDSY-UHFFFAOYSA-N -1 0 534.410 5.661 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC000409310416 1072183803 /nfs/dbraw/zinc/18/38/03/1072183803.db2.gz BBVTUJPJRXYAJO-HNNXBMFYSA-N -1 0 535.442 5.969 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409084602 1072185897 /nfs/dbraw/zinc/18/58/97/1072185897.db2.gz MKSAEVFRPRHQCR-UHFFFAOYSA-N -1 0 631.638 6.311 40 30 KKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 ZINC000409084477 1072188000 /nfs/dbraw/zinc/18/80/00/1072188000.db2.gz XZQRXFAFQKPOJJ-CRQMMYCGSA-N -1 0 512.679 6.893 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC000409310005 1072188294 /nfs/dbraw/zinc/18/82/94/1072188294.db2.gz PBAJTZBLMVVEAA-UHFFFAOYSA-N -1 0 691.804 7.476 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409309754 1072188850 /nfs/dbraw/zinc/18/88/50/1072188850.db2.gz LZKWXFAUFVXGKN-UHFFFAOYSA-N -1 0 599.825 5.833 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409084541 1072189031 /nfs/dbraw/zinc/18/90/31/1072189031.db2.gz WTQYEOVUYJSAFB-GMUGERAYSA-N -1 0 560.470 6.549 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000409309624 1072190442 /nfs/dbraw/zinc/19/04/42/1072190442.db2.gz KBPNIFJNAXQIFW-QGZVFWFLSA-N -1 0 534.410 5.832 40 30 KKEBRM COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)c1[O-] ZINC000409084381 1072190794 /nfs/dbraw/zinc/19/07/94/1072190794.db2.gz BLTXKGPACOPQGH-FFCNRAIOSA-N -1 0 542.057 7.178 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409083119 1072205288 /nfs/dbraw/zinc/20/52/88/1072205288.db2.gz UNGFEHYNWCXZNM-UHFFFAOYSA-N -1 0 672.518 7.762 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409082603 1072209131 /nfs/dbraw/zinc/20/91/31/1072209131.db2.gz QIPDFFWWFVLRFD-CIVPRSJYSA-N -1 0 645.619 8.942 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082175 1072214915 /nfs/dbraw/zinc/21/49/15/1072214915.db2.gz PMDZRAAKOCSSEO-UHFFFAOYSA-N -1 0 611.991 5.845 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409082631 1072209554 /nfs/dbraw/zinc/20/95/54/1072209554.db2.gz SYKLBYAFVHXGRK-REKXRUHJSA-N -1 0 559.515 7.672 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082624 1072209612 /nfs/dbraw/zinc/20/96/12/1072209612.db2.gz SBACHYFRBQFUFL-UDWIEESQSA-N -1 0 623.372 5.461 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409082629 1072209638 /nfs/dbraw/zinc/20/96/38/1072209638.db2.gz SBFNEFFCYLRFST-GAWHJTMWSA-N -1 0 591.900 7.544 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409307945 1072215390 /nfs/dbraw/zinc/21/53/90/1072215390.db2.gz WWCLKGHNISMQEH-AWEZNQCLSA-N -1 0 683.275 6.740 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409307563 1072218858 /nfs/dbraw/zinc/21/88/58/1072218858.db2.gz SZIDFZUNEBAPSB-UHFFFAOYSA-N -1 0 601.251 5.398 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1O[C@H](C)C(=O)[O-] ZINC000409317232 1072224685 /nfs/dbraw/zinc/22/46/85/1072224685.db2.gz SVDGKZGSYMKVKK-UONOGXRCSA-N -1 0 595.288 5.568 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000409316344 1072231246 /nfs/dbraw/zinc/23/12/46/1072231246.db2.gz XJOOBLNJDIIEIB-INIZCTEOSA-N -1 0 643.332 6.603 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409316430 1072232228 /nfs/dbraw/zinc/23/22/28/1072232228.db2.gz QDQBCBCCWKJBBT-KRWDZBQOSA-N -1 0 534.410 5.832 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409316220 1072233147 /nfs/dbraw/zinc/23/31/47/1072233147.db2.gz PMSVLZIEHRFAOB-CYBMUJFWSA-N -1 0 686.195 6.474 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409315458 1072239735 /nfs/dbraw/zinc/23/97/35/1072239735.db2.gz VMJVOQKYILHAOJ-UHFFFAOYSA-N -1 0 598.881 6.323 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409315574 1072237991 /nfs/dbraw/zinc/23/79/91/1072237991.db2.gz VZWGCRGVNPNTGD-VXGBXAGGSA-N -1 0 615.706 5.831 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)n1-c1ccc(OCC(=O)[O-])cc1 ZINC000409315472 1072239642 /nfs/dbraw/zinc/23/96/42/1072239642.db2.gz IXEGUEYRYVMQII-UHFFFAOYSA-N -1 0 577.479 5.960 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409315567 1072240493 /nfs/dbraw/zinc/24/04/93/1072240493.db2.gz VZWGCRGVNPNTGD-NWDGAFQWSA-N -1 0 615.706 5.831 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br ZINC000409315563 1072240517 /nfs/dbraw/zinc/24/05/17/1072240517.db2.gz VZWGCRGVNPNTGD-NEPJUHHUSA-N -1 0 615.706 5.831 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409327250 1072241009 /nfs/dbraw/zinc/24/10/09/1072241009.db2.gz RSVXMVSIQNGZLD-UHFFFAOYSA-N -1 0 595.406 5.188 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409325971 1072251313 /nfs/dbraw/zinc/25/13/13/1072251313.db2.gz DVUOSBQPPUZXJK-MRXNPFEDSA-N -1 0 660.306 6.437 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000409325524 1072255635 /nfs/dbraw/zinc/25/56/35/1072255635.db2.gz ZOPLFYMHCXHWLV-KRWDZBQOSA-N -1 0 535.442 5.998 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC000409324979 1072260651 /nfs/dbraw/zinc/26/06/51/1072260651.db2.gz VSGXNDYZZSUZJL-UHFFFAOYSA-N -1 0 704.359 6.664 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409324365 1072265618 /nfs/dbraw/zinc/26/56/18/1072265618.db2.gz SGMQTMBKTWBSEP-HNNXBMFYSA-N -1 0 658.303 6.503 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091944 1072266721 /nfs/dbraw/zinc/26/67/21/1072266721.db2.gz RTKGYSHOLFZPMG-CIAFOILYSA-N -1 0 606.975 6.051 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409091040 1072274158 /nfs/dbraw/zinc/27/41/58/1072274158.db2.gz ORUMYQTUTBTUIS-RCASGSTKSA-N -1 0 570.711 7.450 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000409091626 1072268669 /nfs/dbraw/zinc/26/86/69/1072268669.db2.gz QSXFSKCACNTOMI-UHFFFAOYSA-N -1 0 570.520 6.294 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)c2C(=O)NCc2ccco2)C1 ZINC000409091375 1072271936 /nfs/dbraw/zinc/27/19/36/1072271936.db2.gz PXRKQWCRGASYBR-IMJZNTEBSA-N -1 0 565.091 7.784 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409323028 1072277254 /nfs/dbraw/zinc/27/72/54/1072277254.db2.gz MOBDMRAUSCVFQQ-ZDUSSCGKSA-N -1 0 641.744 6.365 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409323134 1072278098 /nfs/dbraw/zinc/27/80/98/1072278098.db2.gz NPALMUYDYBAFMZ-UHFFFAOYSA-N -1 0 598.881 6.323 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I)C(=O)[O-] ZINC000409323149 1072278485 /nfs/dbraw/zinc/27/84/85/1072278485.db2.gz NXWLVBIUNCJIRS-ZDUSSCGKSA-N -1 0 750.169 6.150 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409322895 1072278945 /nfs/dbraw/zinc/27/89/45/1072278945.db2.gz YMWPJBNFFQBVJR-HNNXBMFYSA-N -1 0 658.303 6.503 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409090288 1072283444 /nfs/dbraw/zinc/28/34/44/1072283444.db2.gz MBKCZSINOKRVDF-SJTYYMPVSA-N -1 0 635.182 8.112 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1OCC(=O)[O-] ZINC000409322222 1072285789 /nfs/dbraw/zinc/28/57/89/1072285789.db2.gz IOKBMTUMSWSDSD-INIZCTEOSA-N -1 0 542.430 5.145 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)cc(I)c1OCC(=O)[O-] ZINC000409089739 1072286221 /nfs/dbraw/zinc/28/62/21/1072286221.db2.gz JZRKNFPWWXKMJR-CHPGRJDFSA-N -1 0 646.547 6.979 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409321717 1072288663 /nfs/dbraw/zinc/28/86/63/1072288663.db2.gz IZDYALYFKLVSBI-STQMWFEESA-N -1 0 629.733 6.221 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089449 1072288841 /nfs/dbraw/zinc/28/88/41/1072288841.db2.gz IMCFCNYPBUBNHD-UHFFFAOYSA-N -1 0 665.415 6.675 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409321217 1072294346 /nfs/dbraw/zinc/29/43/46/1072294346.db2.gz RXRZVJQUZZJYAJ-UHFFFAOYSA-N -1 0 565.380 5.179 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088882 1072294652 /nfs/dbraw/zinc/29/46/52/1072294652.db2.gz KXBQQJSWGASFEV-VCHYOVAHSA-N -1 0 636.366 7.116 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409087867 1072304024 /nfs/dbraw/zinc/30/40/24/1072304024.db2.gz IGUYMNUDWMUAIR-UHFFFAOYSA-N -1 0 602.383 6.100 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl)C(=O)[O-] ZINC000409320003 1072305290 /nfs/dbraw/zinc/30/52/90/1072305290.db2.gz APHQTUZLTYBQHD-CQSZACIVSA-N -1 0 532.822 5.594 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409319803 1072305694 /nfs/dbraw/zinc/30/56/94/1072305694.db2.gz MBSSCAPYTMQSSM-UHFFFAOYSA-N -1 0 658.303 6.332 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c2C(=O)Nc2ccccc2)C1 ZINC000409087632 1072307550 /nfs/dbraw/zinc/30/75/50/1072307550.db2.gz COMQENZSPRDKCW-ZHYUTQBBSA-N -1 0 561.103 8.514 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC000409319732 1072307957 /nfs/dbraw/zinc/30/79/57/1072307957.db2.gz LAFGJIJXZURNCG-UHFFFAOYSA-N -1 0 722.228 7.195 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409087418 1072308130 /nfs/dbraw/zinc/30/81/30/1072308130.db2.gz UCFHFPXGUNPTQZ-JPYNXDQDSA-N -1 0 599.108 7.299 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409319196 1072314045 /nfs/dbraw/zinc/31/40/45/1072314045.db2.gz BWSMGRIKLMNFOM-FQEVSTJZSA-N -1 0 618.528 6.959 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409318710 1072317484 /nfs/dbraw/zinc/31/74/84/1072317484.db2.gz XFUBCMBVFREKLF-UHFFFAOYSA-N -1 0 633.724 6.687 40 30 KKEBRM COc1c([O-])c(Br)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000409336611 1072329069 /nfs/dbraw/zinc/32/90/69/1072329069.db2.gz TXFKFILHZRLFEU-UHFFFAOYSA-N -1 0 520.376 5.472 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)SC2=Nc2ccccc2)cc1 ZINC000409098603 1072331310 /nfs/dbraw/zinc/33/13/10/1072331310.db2.gz QTVKOHLDZCJVFA-KQOXCAADSA-N -1 0 557.096 7.994 40 30 KKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(I)cc1 ZINC000409335564 1072338956 /nfs/dbraw/zinc/33/89/56/1072338956.db2.gz KHBINNPSDVBKCL-GRXGRPPOSA-N -1 0 505.406 5.573 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)SC2=N)s1 ZINC000409334768 1072343409 /nfs/dbraw/zinc/34/34/09/1072343409.db2.gz ILHRIPDKNIIVHD-PTLAJMPYSA-N -1 0 527.502 7.137 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409334707 1072343672 /nfs/dbraw/zinc/34/36/72/1072343672.db2.gz ICVOOKOXOFXBKF-DBGOLLIESA-N -1 0 505.448 6.845 40 30 KKEBRM CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409105648 1072348060 /nfs/dbraw/zinc/34/80/60/1072348060.db2.gz JBXWITBBCNMILN-XKJRVUDJSA-N -1 0 537.878 6.389 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1OCC(=O)[O-] ZINC000409333092 1072355589 /nfs/dbraw/zinc/35/55/89/1072355589.db2.gz IKURTVTYYOMQEX-UHFFFAOYSA-N -1 0 593.272 5.323 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000409332565 1072359784 /nfs/dbraw/zinc/35/97/84/1072359784.db2.gz HGEUCORVFORCSX-LBPRGKRZSA-N -1 0 630.131 5.761 40 30 KKEBRM CCOc1ccc2nc(Sc3ccc(/C=C4/SC(=Nc5ccc(Cl)c(C(=O)[O-])c5)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000409332223 1072361558 /nfs/dbraw/zinc/36/15/58/1072361558.db2.gz CSRODVMYYMKCAQ-YVNNLAQVSA-N -1 0 613.098 6.998 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000409330461 1072375797 /nfs/dbraw/zinc/37/57/97/1072375797.db2.gz AOCZWZAXCHFSJL-QGZVFWFLSA-N -1 0 564.436 5.841 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@H](C)C(=O)[O-] ZINC000409327703 1072397849 /nfs/dbraw/zinc/39/78/49/1072397849.db2.gz WMYPGSDZNGMBAG-CHWSQXEVSA-N -1 0 506.784 5.060 40 30 KKEBRM COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409109137 1072400995 /nfs/dbraw/zinc/40/09/95/1072400995.db2.gz YHTQULXMAADRKV-IPBVOBEMSA-N -1 0 523.851 5.999 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)SC2=N)s1 ZINC000409336994 1072406547 /nfs/dbraw/zinc/40/65/47/1072406547.db2.gz SEOINVATIYDUGH-OMCFUHKXSA-N -1 0 513.475 6.828 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409136179 1072479800 /nfs/dbraw/zinc/47/98/00/1072479800.db2.gz UBUQQQWBBSCOFT-WPWMEQJKSA-N -1 0 602.659 5.991 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc(Cl)cc1 ZINC000409337642 1072492156 /nfs/dbraw/zinc/49/21/56/1072492156.db2.gz WZLSVXCNUJPCKX-OZACXRCISA-N -1 0 500.045 6.149 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=N)s1 ZINC000409337725 1072492817 /nfs/dbraw/zinc/49/28/17/1072492817.db2.gz ZDPRYEIQLSMINM-HKDICLHKSA-N -1 0 520.463 6.413 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=Nc2ccccc2)cc1 ZINC000409127457 1072531579 /nfs/dbraw/zinc/53/15/79/1072531579.db2.gz CSUUJLSUDHZZAZ-LGSKZASQSA-N -1 0 517.582 5.165 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409349810 1072547204 /nfs/dbraw/zinc/54/72/04/1072547204.db2.gz WFTBZUNERDRDEE-HAHDFKILSA-N -1 0 615.596 6.763 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409142148 1072548675 /nfs/dbraw/zinc/54/86/75/1072548675.db2.gz LMBZVKWCLDVSSN-YZSQISJMSA-N -1 0 570.642 5.462 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCCC ZINC000409140709 1072557689 /nfs/dbraw/zinc/55/76/89/1072557689.db2.gz RZHJRFLOYYDLRE-XQNSMLJCSA-N -1 0 536.625 5.062 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000409147225 1072577571 /nfs/dbraw/zinc/57/75/71/1072577571.db2.gz WZUVZZZAANDYCT-DPNNOFEESA-N -1 0 518.525 7.211 40 30 KKEBRM N#Cc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409376109 1072623724 /nfs/dbraw/zinc/62/37/24/1072623724.db2.gz UOVTUAFSUUJGEK-NHCUHLMSSA-N -1 0 594.420 5.070 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409378508 1072674608 /nfs/dbraw/zinc/67/46/08/1072674608.db2.gz PLUABMKFSZMJLK-YDZHTSKRSA-N -1 0 590.499 5.692 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387279 1072681545 /nfs/dbraw/zinc/68/15/45/1072681545.db2.gz VLSFFAWPKVWVQO-ZDXZXTGYSA-N -1 0 595.790 7.969 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C(=O)N2Cc2ccco2)cc1 ZINC000409387017 1072682975 /nfs/dbraw/zinc/68/29/75/1072682975.db2.gz YSOPULOSHNCIAO-BXFRJJNSSA-N -1 0 560.584 5.971 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000409386884 1072683977 /nfs/dbraw/zinc/68/39/77/1072683977.db2.gz OGABCNHGNCWKHT-LPYMAVHISA-N -1 0 593.446 5.136 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386649 1072686050 /nfs/dbraw/zinc/68/60/50/1072686050.db2.gz QXJZGKJIJHJMKD-AWVZRPFUSA-N -1 0 604.798 6.059 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386389 1072686696 /nfs/dbraw/zinc/68/66/96/1072686696.db2.gz SWMHOOCXGRDWHG-JAIQZWGSSA-N -1 0 529.368 5.220 40 30 KKEBRM COCCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)SC1=Nc1ccccc1 ZINC000409386005 1072689626 /nfs/dbraw/zinc/68/96/26/1072689626.db2.gz NFEZFINDVQKHDU-SGDOBAIKSA-N -1 0 535.691 5.983 40 30 KKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)S2)cc1 ZINC000409385242 1072693913 /nfs/dbraw/zinc/69/39/13/1072693913.db2.gz ISNTWYGDWCASND-HMAPJEAMSA-N -1 0 505.665 6.187 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409383108 1072704158 /nfs/dbraw/zinc/70/41/58/1072704158.db2.gz ULFBLAXKYNCULL-WSDLNYQXSA-N -1 0 576.472 5.302 40 30 KKEBRM N#Cc1ccccc1COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000409400151 1072746614 /nfs/dbraw/zinc/74/66/14/1072746614.db2.gz PKZYBNTZUCDTTH-GRSHGNNSSA-N -1 0 553.210 5.124 40 30 KKEBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1C#N ZINC000409399230 1072750052 /nfs/dbraw/zinc/75/00/52/1072750052.db2.gz GRVGYWAAPVBKII-ODLFYWEKSA-N -1 0 583.236 5.132 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409405815 1072760515 /nfs/dbraw/zinc/76/05/15/1072760515.db2.gz VSMKYHFHMQUDFV-AWEZNQCLSA-N -1 0 601.251 5.331 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409405816 1072760558 /nfs/dbraw/zinc/76/05/58/1072760558.db2.gz VSMKYHFHMQUDFV-CQSZACIVSA-N -1 0 601.251 5.331 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409405375 1072762537 /nfs/dbraw/zinc/76/25/37/1072762537.db2.gz UHSFDAIWSANJCL-UHFFFAOYSA-N -1 0 598.453 6.384 40 30 KKEBRM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(CC=C)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185990 1072765927 /nfs/dbraw/zinc/76/59/27/1072765927.db2.gz UMPQLHKXJLZGLG-KOZSHQPOSA-N -1 0 737.878 8.086 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409403095 1072773029 /nfs/dbraw/zinc/77/30/29/1072773029.db2.gz KPZCSDUXMRBDRW-UHFFFAOYSA-N -1 0 598.453 6.384 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409402721 1072775354 /nfs/dbraw/zinc/77/53/54/1072775354.db2.gz IYUIRRJFXOATKS-UHFFFAOYSA-N -1 0 645.453 6.226 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409401222 1072782110 /nfs/dbraw/zinc/78/21/10/1072782110.db2.gz CSJGZJJHSXLSBM-UHFFFAOYSA-N -1 0 584.426 5.994 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409191471 1072861371 /nfs/dbraw/zinc/86/13/71/1072861371.db2.gz IGNHAVYCZABKLF-ZXVVBBHZSA-N -1 0 648.734 5.431 40 30 KKEBRM COc1cccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409190688 1072868274 /nfs/dbraw/zinc/86/82/74/1072868274.db2.gz VBXGUIWANZRDGJ-STBIYBPSSA-N -1 0 514.559 6.782 40 30 KKEBRM COc1cccc(/C=N\c2ccc(I)cc2C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187985 1072884061 /nfs/dbraw/zinc/88/40/61/1072884061.db2.gz WEGQTCWVRSFXHD-MXAYSNPKSA-N -1 0 501.320 5.636 40 30 KKEBRM CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409203293 1072910990 /nfs/dbraw/zinc/91/09/90/1072910990.db2.gz WFHSBMSGALPVHK-UVHMKAGCSA-N -1 0 549.792 6.680 40 30 KKEBRM CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1 ZINC000409199458 1072925909 /nfs/dbraw/zinc/92/59/09/1072925909.db2.gz DLFONSJCUBVTFT-LGJNPRDNSA-N -1 0 533.216 6.638 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531095922 1072927639 /nfs/dbraw/zinc/92/76/39/1072927639.db2.gz FVJDLBZZHLGCNV-DGPGAKKCSA-N -1 0 674.184 6.114 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531109994 1072932570 /nfs/dbraw/zinc/93/25/70/1072932570.db2.gz VUPQQOGILYNKOC-YNFMAFFXSA-N -1 0 658.303 6.287 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC001531128359 1072938560 /nfs/dbraw/zinc/93/85/60/1072938560.db2.gz DZZBDJWYRZLFAP-TXKPYDHESA-N -1 0 615.706 5.615 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001531131338 1072939058 /nfs/dbraw/zinc/93/90/58/1072939058.db2.gz FMPVPEWWEXXGKR-PPDIBHTLSA-N -1 0 528.790 5.950 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531138732 1072942268 /nfs/dbraw/zinc/94/22/68/1072942268.db2.gz IZPLAGIDHAXTKT-OXDZLNHXSA-N -1 0 550.837 5.243 40 30 KKEBRM COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1 ZINC000409216783 1072945033 /nfs/dbraw/zinc/94/50/33/1072945033.db2.gz OLJGOOCEDPATHA-BRJLIKDPSA-N -1 0 519.189 6.248 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409216488 1072946004 /nfs/dbraw/zinc/94/60/04/1072946004.db2.gz LUKVNRCAJXSWMN-JFLMPSFJSA-N -1 0 529.374 6.280 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC001531155947 1072946860 /nfs/dbraw/zinc/94/68/60/1072946860.db2.gz BMGCUXZRTWDNQW-DMWKKASYSA-N -1 0 691.804 7.431 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409214829 1072950992 /nfs/dbraw/zinc/95/09/92/1072950992.db2.gz ZDRFAOOHOYARCD-KZINRLMESA-N -1 0 503.020 5.715 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC001531169774 1072953114 /nfs/dbraw/zinc/95/31/14/1072953114.db2.gz AUQUCTYJZUEDKI-MWYAZZEHSA-N -1 0 571.653 5.218 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001531195453 1072962037 /nfs/dbraw/zinc/96/20/37/1072962037.db2.gz OJGWVZCRCQUNHY-FDVSRXAVSA-N -1 0 534.410 5.616 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531226868 1072976314 /nfs/dbraw/zinc/97/63/14/1072976314.db2.gz LYSXBLHWFJHZQE-KBVAKVRCSA-N -1 0 577.479 5.727 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001531231518 1072982732 /nfs/dbraw/zinc/98/27/32/1072982732.db2.gz LDDGMOYLAUPSKC-SSAQJZBFSA-N -1 0 581.261 5.178 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC001531234038 1072985355 /nfs/dbraw/zinc/98/53/55/1072985355.db2.gz FCYVWRRBBJWESF-DPNNOFEESA-N -1 0 584.470 6.814 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001531236048 1072989672 /nfs/dbraw/zinc/98/96/72/1072989672.db2.gz LUKDZNDBBVZLTM-ZNIRGWDNSA-N -1 0 568.855 6.485 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(I)cc(Br)c2OCC(=O)[O-])S1 ZINC000409221981 1072996999 /nfs/dbraw/zinc/99/69/99/1072996999.db2.gz AJRABWYKFYWRQS-GIDUJCDVSA-N -1 0 607.651 5.371 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@H](C)C(=O)[O-])c2ccccc12 ZINC001531242664 1072997115 /nfs/dbraw/zinc/99/71/15/1072997115.db2.gz QVYOVLLHRWHIPH-NKZWWHGNSA-N -1 0 509.404 5.293 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531245060 1073000849 /nfs/dbraw/zinc/00/08/49/1073000849.db2.gz MUIHZXHWHHKRSF-BUMKNRDJSA-N -1 0 598.881 6.494 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531245153 1073001772 /nfs/dbraw/zinc/00/17/72/1073001772.db2.gz QDQBCBCCWKJBBT-HRXXRIAWSA-N -1 0 534.410 5.832 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531254842 1073007873 /nfs/dbraw/zinc/00/78/73/1073007873.db2.gz LOBLIAXVXYRYCT-FJEPWZHXSA-N -1 0 609.433 5.578 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@H](C)C(=O)[O-])ccc2ccccc21 ZINC001531254973 1073008646 /nfs/dbraw/zinc/00/86/46/1073008646.db2.gz PEWJITWYQGECKS-NEZLHVBRSA-N -1 0 522.399 5.389 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC001531255544 1073009597 /nfs/dbraw/zinc/00/95/97/1073009597.db2.gz BBVTUJPJRXYAJO-PUIHGENOSA-N -1 0 535.442 5.969 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC001531255751 1073011065 /nfs/dbraw/zinc/01/10/65/1073011065.db2.gz LESLZAXPGQQZDF-XNJNRSFUSA-N -1 0 674.184 6.159 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC001531268635 1073028343 /nfs/dbraw/zinc/02/83/43/1073028343.db2.gz POUOUSQUXSRERE-IURWMYGYSA-N -1 0 663.750 6.695 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC001531268667 1073028683 /nfs/dbraw/zinc/02/86/83/1073028683.db2.gz UWELPCZGLVIZJV-SAHOEIGMSA-N -1 0 722.228 7.366 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1Br ZINC001531268668 1073028741 /nfs/dbraw/zinc/02/87/41/1073028741.db2.gz UWELPCZGLVIZJV-UVFOXEMKSA-N -1 0 722.228 7.366 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531269606 1073032445 /nfs/dbraw/zinc/03/24/45/1073032445.db2.gz AVJIQWZWRONKEC-VTKCVZDWSA-N -1 0 736.255 7.756 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC001531275605 1073037944 /nfs/dbraw/zinc/03/79/44/1073037944.db2.gz SITXTZGMXMAKKY-HIWRWHBISA-N -1 0 722.228 7.195 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531282373 1073047297 /nfs/dbraw/zinc/04/72/97/1073047297.db2.gz QHJNUGWYJULUIR-OKCVXOCRSA-N -1 0 564.436 5.670 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC001531283017 1073048518 /nfs/dbraw/zinc/04/85/18/1073048518.db2.gz DKTHYKDOJUZREX-YQLXCNAFSA-N -1 0 565.468 5.814 40 30 KKEBRM N#Cc1ccccc1Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 ZINC000409234078 1073052963 /nfs/dbraw/zinc/05/29/63/1073052963.db2.gz YSGPNPLDBDKHQD-FSJBWODESA-N -1 0 530.531 5.411 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001531289653 1073057008 /nfs/dbraw/zinc/05/70/08/1073057008.db2.gz SPJSXXNRSGZQRR-RWPZCVJISA-N -1 0 521.415 5.490 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531291058 1073058632 /nfs/dbraw/zinc/05/86/32/1073058632.db2.gz BMZXOXHKJMMXRQ-VLCQYKRPSA-N -1 0 594.462 5.849 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409232473 1073061800 /nfs/dbraw/zinc/06/18/00/1073061800.db2.gz IILAOVLZYWQVII-DDFGBMTRSA-N -1 0 545.419 7.034 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531296782 1073067907 /nfs/dbraw/zinc/06/79/07/1073067907.db2.gz VWXMBCVCGGLGMA-YJDIGNJUSA-N -1 0 658.303 6.503 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC001531297079 1073070089 /nfs/dbraw/zinc/07/00/89/1073070089.db2.gz LAFGJIJXZURNCG-HIWRWHBISA-N -1 0 722.228 7.195 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531297261 1073071247 /nfs/dbraw/zinc/07/12/47/1073071247.db2.gz VLHNNYOEXHCMRG-JNKHFKFZSA-N -1 0 692.202 7.357 40 30 KKEBRM C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409247012 1073072667 /nfs/dbraw/zinc/07/26/67/1073072667.db2.gz FUCVILSTAMTWTN-WGOQTCKBSA-N -1 0 526.589 5.492 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001531297592 1073073308 /nfs/dbraw/zinc/07/33/08/1073073308.db2.gz LNOFYVWXVLOCAW-BUGPSZFBSA-N -1 0 541.229 5.543 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531297755 1073073542 /nfs/dbraw/zinc/07/35/42/1073073542.db2.gz PUIOGYFYEYTOHG-IPPBACCNSA-N -1 0 554.828 5.924 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001531303218 1073076480 /nfs/dbraw/zinc/07/64/80/1073076480.db2.gz IYUSHEIGYYBVSU-XHARTHDMSA-N -1 0 541.229 5.713 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC001531304552 1073082527 /nfs/dbraw/zinc/08/25/27/1073082527.db2.gz IZDYALYFKLVSBI-MGFGFNOVSA-N -1 0 629.733 6.221 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531309932 1073085437 /nfs/dbraw/zinc/08/54/37/1073085437.db2.gz BOPJWHODDKNVQP-HWFREFBRSA-N -1 0 704.359 6.835 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OCC)c1 ZINC001531312236 1073089583 /nfs/dbraw/zinc/08/95/83/1073089583.db2.gz MRUFRBVLTITBGN-ZKJHFGPLSA-N -1 0 595.288 5.397 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531317513 1073092252 /nfs/dbraw/zinc/09/22/52/1073092252.db2.gz LEUUHWJBXSAYKF-VVEOGCPPSA-N -1 0 633.724 6.687 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2C)c1C ZINC001531318743 1073095845 /nfs/dbraw/zinc/09/58/45/1073095845.db2.gz XSPBIHOQVKVUHU-CCVNUDIWSA-N -1 0 521.415 5.408 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1OCC(=O)[O-] ZINC001531319241 1073097100 /nfs/dbraw/zinc/09/71/00/1073097100.db2.gz IOKBMTUMSWSDSD-WBBAFLOHSA-N -1 0 542.430 5.145 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(I)c2)S/C1=N/c1ccc(F)cc1 ZINC000409241551 1073100340 /nfs/dbraw/zinc/10/03/40/1073100340.db2.gz OIUWPQXKSZKZHN-GQINGBAWSA-N -1 0 605.223 5.280 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC001531325619 1073101417 /nfs/dbraw/zinc/10/14/17/1073101417.db2.gz XNQQIKLUAPVJKQ-HRXXRIAWSA-N -1 0 534.410 5.832 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1Br ZINC001531326400 1073102958 /nfs/dbraw/zinc/10/29/58/1073102958.db2.gz HSOYVBBILSYVPQ-IURWMYGYSA-N -1 0 708.201 6.805 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531326574 1073105107 /nfs/dbraw/zinc/10/51/07/1073105107.db2.gz IEGFOYXZXZMPCK-KPGMTVGESA-N -1 0 612.908 6.713 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531326587 1073105647 /nfs/dbraw/zinc/10/56/47/1073105647.db2.gz JMRITZWAVAWVNV-BUMKNRDJSA-N -1 0 598.881 6.494 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409240949 1073105744 /nfs/dbraw/zinc/10/57/44/1073105744.db2.gz VQQXJUGTGILWLG-ZVHZXABRSA-N -1 0 523.010 6.216 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC001531326956 1073108662 /nfs/dbraw/zinc/10/86/62/1073108662.db2.gz UHNLWHLOGCYETA-PUIHGENOSA-N -1 0 535.442 5.969 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(=O)[O-])ccc2ccccc21 ZINC001531329350 1073112203 /nfs/dbraw/zinc/11/22/03/1073112203.db2.gz RUGXKIFQYSGFKU-QJXMJWHHSA-N -1 0 508.372 5.171 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001531333399 1073118293 /nfs/dbraw/zinc/11/82/93/1073118293.db2.gz MHUVZYUMDUAHAZ-AYLNWMBDSA-N -1 0 521.415 5.660 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1OCC(=O)[O-] ZINC001531333653 1073119719 /nfs/dbraw/zinc/11/97/19/1073119719.db2.gz ZTQXGKZPDDMCEJ-LGXUHMPSSA-N -1 0 628.261 5.021 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409238335 1073120170 /nfs/dbraw/zinc/12/01/70/1073120170.db2.gz WYZQTTMOJMOJRJ-VCUCLJMBSA-N -1 0 597.487 6.367 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC001531337320 1073123217 /nfs/dbraw/zinc/12/32/17/1073123217.db2.gz XMGMAQKZTYGAAE-WKULSOCRSA-N -1 0 535.442 5.798 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c([O-])c(I)c2)S/C1=N/c1ccc(F)cc1 ZINC000409237416 1073127621 /nfs/dbraw/zinc/12/76/21/1073127621.db2.gz WOWFSYKJYLJQQU-ROGFPXQNSA-N -1 0 594.187 5.364 40 30 KKEBRM COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC001531382616 1073145075 /nfs/dbraw/zinc/14/50/75/1073145075.db2.gz BLAWIRRQJWLBNZ-VTNSRFBWSA-N -1 0 631.426 5.836 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531382824 1073147844 /nfs/dbraw/zinc/14/78/44/1073147844.db2.gz NOHKNWIWIFYRGV-QXUDOOCXSA-N -1 0 545.595 5.960 40 30 KKEBRM C[C@H](Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC001531383889 1073154867 /nfs/dbraw/zinc/15/48/67/1073154867.db2.gz RRVHVEZGECQEHU-ZKJHFGPLSA-N -1 0 571.225 5.323 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC001531384097 1073156060 /nfs/dbraw/zinc/15/60/60/1073156060.db2.gz CMERYNZVTPKQPN-KBVAKVRCSA-N -1 0 509.949 5.876 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001531384125 1073156364 /nfs/dbraw/zinc/15/63/64/1073156364.db2.gz DVUIEKZIBIFXJT-OCSSWDANSA-N -1 0 520.501 5.131 40 30 KKEBRM Cc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC001531384189 1073157682 /nfs/dbraw/zinc/15/76/82/1073157682.db2.gz DZOFSDPWQNVBHT-QLQYKETESA-N -1 0 568.633 6.630 40 30 KKEBRM C[C@@H](Oc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)C(=O)[O-] ZINC001531384259 1073158125 /nfs/dbraw/zinc/15/81/25/1073158125.db2.gz FMGJGJWGUSBZDI-HWDKICEFSA-N -1 0 526.774 5.214 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531384574 1073160087 /nfs/dbraw/zinc/16/00/87/1073160087.db2.gz IOGMEARSCKMNIF-KVAAJVFYSA-N -1 0 677.349 7.147 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC001531384677 1073161108 /nfs/dbraw/zinc/16/11/08/1073161108.db2.gz LKLLNOBAENTRSM-OCSSWDANSA-N -1 0 520.501 5.131 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001531384985 1073163976 /nfs/dbraw/zinc/16/39/76/1073163976.db2.gz QNPNSEUPABKORL-WCMJOSRZSA-N -1 0 599.397 5.894 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531385277 1073165709 /nfs/dbraw/zinc/16/57/09/1073165709.db2.gz UVMBPMNESAMEIV-XOUCVQQTSA-N -1 0 615.278 5.721 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(Cl)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1)C(=O)[O-] ZINC001531385486 1073166765 /nfs/dbraw/zinc/16/67/65/1073166765.db2.gz KAFPMBDSOHEBNV-HWDKICEFSA-N -1 0 526.774 5.214 40 30 KKEBRM COc1cc(C(=O)[O-])ccc1NC(=O)C1=C(c2cccc(Cl)c2F)[C@@](C#N)(c2ccc(Cl)cc2F)C(CC(C)(C)C)N1 ZINC001560408702 1073195331 /nfs/dbraw/zinc/19/53/31/1073195331.db2.gz WRCKLZGJEWBZHJ-HKBQPEDESA-N -1 0 613.468 7.361 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)cc21 ZINC000409274457 1073310456 /nfs/dbraw/zinc/31/04/56/1073310456.db2.gz DDXONFHDKOVOGG-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409277245 1073322089 /nfs/dbraw/zinc/32/20/89/1073322089.db2.gz AKQVPAJAAHPDNO-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409276781 1073326692 /nfs/dbraw/zinc/32/66/92/1073326692.db2.gz WJMKVEIUMMZNBX-UHFFFAOYSA-N -1 0 764.370 7.735 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409276559 1073330260 /nfs/dbraw/zinc/33/02/60/1073330260.db2.gz STVQDSQTFFJRKF-UHFFFAOYSA-N -1 0 624.049 7.030 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409276301 1073331062 /nfs/dbraw/zinc/33/10/62/1073331062.db2.gz PLFUAKDGXDVUCH-UHFFFAOYSA-N -1 0 708.201 6.975 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br)C(=O)[O-] ZINC000409275671 1073333359 /nfs/dbraw/zinc/33/33/59/1073333359.db2.gz LDZANTVKEQCURV-CYBMUJFWSA-N -1 0 639.222 6.341 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)o2)ccc1Cl ZINC000409287059 1073340421 /nfs/dbraw/zinc/34/04/21/1073340421.db2.gz YDGLQARMJRTNHS-UHFFFAOYSA-N -1 0 588.801 7.066 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409286871 1073341593 /nfs/dbraw/zinc/34/15/93/1073341593.db2.gz XEBAEWSKXQENDG-UHFFFAOYSA-N -1 0 717.370 7.893 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409286919 1073342148 /nfs/dbraw/zinc/34/21/48/1073342148.db2.gz XKOACNGVTCWKSK-UHFFFAOYSA-N -1 0 536.975 6.451 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409286793 1073344191 /nfs/dbraw/zinc/34/41/91/1073344191.db2.gz ZSZARMZKNIVYNS-UHFFFAOYSA-N -1 0 671.298 6.088 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409286552 1073344610 /nfs/dbraw/zinc/34/46/10/1073344610.db2.gz YXWWURGDAGOTJI-GOSISDBHSA-N -1 0 626.935 7.044 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409286595 1073345413 /nfs/dbraw/zinc/34/54/13/1073345413.db2.gz QKJCYUYHIMCRMM-UHFFFAOYSA-N -1 0 544.533 6.379 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409286290 1073348543 /nfs/dbraw/zinc/34/85/43/1073348543.db2.gz YHLLFQXPYCTPTR-UHFFFAOYSA-N -1 0 641.080 7.225 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000409285560 1073355977 /nfs/dbraw/zinc/35/59/77/1073355977.db2.gz XPQMRDGDFLZBHT-UHFFFAOYSA-N -1 0 543.501 6.242 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409285276 1073358994 /nfs/dbraw/zinc/35/89/94/1073358994.db2.gz SYIGUGAWJBZQCR-GFCCVEGCSA-N -1 0 660.157 5.940 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2OCc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000409285014 1073362736 /nfs/dbraw/zinc/36/27/36/1073362736.db2.gz WDSULNVUUBNXKG-UHFFFAOYSA-N -1 0 610.110 7.707 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000409284720 1073365732 /nfs/dbraw/zinc/36/57/32/1073365732.db2.gz VKZBYBYOGLARSY-UHFFFAOYSA-N -1 0 612.391 7.549 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409284695 1073365750 /nfs/dbraw/zinc/36/57/50/1073365750.db2.gz VJGGUASTXKPRDZ-UHFFFAOYSA-N -1 0 666.450 7.403 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC000409283617 1073375992 /nfs/dbraw/zinc/37/59/92/1073375992.db2.gz RGUJWHZEKQSFHQ-UHFFFAOYSA-N -1 0 649.723 6.305 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C(C)C ZINC000409283551 1073378299 /nfs/dbraw/zinc/37/82/99/1073378299.db2.gz QXLJESIEIRZOLW-UHFFFAOYSA-N -1 0 719.430 8.188 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2cccc(C(=O)[O-])c2)ccc2ccccc21 ZINC000409283237 1073381572 /nfs/dbraw/zinc/38/15/72/1073381572.db2.gz RPUDSOSHFHCBGK-UHFFFAOYSA-N -1 0 542.389 5.780 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCC(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409283033 1073382639 /nfs/dbraw/zinc/38/26/39/1073382639.db2.gz PXZIQTLYAIEQEY-UHFFFAOYSA-N -1 0 655.489 5.853 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409282808 1073386558 /nfs/dbraw/zinc/38/65/58/1073386558.db2.gz QRPHATAOHGUYIX-UHFFFAOYSA-N -1 0 564.436 5.625 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OC)c3OCc3cccc(C(=O)[O-])c3)cc21 ZINC000409282094 1073394837 /nfs/dbraw/zinc/39/48/37/1073394837.db2.gz OBUYVAKGZLXBSO-UHFFFAOYSA-N -1 0 575.577 5.986 40 30 KKEBRM CCOc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408634178 195479375 /nfs/dbraw/zinc/47/93/75/195479375.db2.gz RSZMEVQWIKBKCH-MXAYSNPKSA-N -1 0 564.019 6.466 40 30 KKEBRM CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408634832 195482108 /nfs/dbraw/zinc/48/21/08/195482108.db2.gz VGUSZPYBILIFMR-OYKKKHCWSA-N -1 0 533.993 6.457 40 30 KKEBRM C#CCOc1c(I)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1OC ZINC000408635313 195484249 /nfs/dbraw/zinc/48/42/49/195484249.db2.gz ZAHAAWJCBBVBST-BOPFTXTBSA-N -1 0 568.776 5.233 40 30 KKEBRM COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(I)c([O-])c(I)c2)S1 ZINC000408850252 195487806 /nfs/dbraw/zinc/48/78/06/195487806.db2.gz JMZBOVAOTPNBJU-NSIKDUERSA-N -1 0 612.614 5.155 40 30 KKEBRM CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4C#N)cc3Br)C(=O)[N-]C2=S)cc1 ZINC000409381691 195512593 /nfs/dbraw/zinc/51/25/93/195512593.db2.gz VMYVRCNWCUCSBY-WSDLNYQXSA-N -1 0 576.472 5.302 40 30 KKEBRM CCOC(=O)[C@@H](Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000825154 551544604 /nfs/dbraw/zinc/54/46/04/551544604.db2.gz AACWRHFJUHVMRP-HDNNTFNPSA-N -1 0 511.361 5.220 40 30 KKEBRM COc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4[O-])ccc3o2)cc1Br ZINC000002071387 551747404 /nfs/dbraw/zinc/74/74/04/551747404.db2.gz NVRKFNKGQQBTRV-KIBLKLHPSA-N -1 0 581.058 7.247 40 30 KKEBRM [O-]c1c(I)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000003090218 552286674 /nfs/dbraw/zinc/28/66/74/552286674.db2.gz CKCQWXGRIJSDHR-UVHMKAGCSA-N -1 0 524.745 7.362 40 30 KKEBRM C=CC/N=c1/scc(-c2ccc(OC)cc2)n1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC000003287971 552338650 /nfs/dbraw/zinc/33/86/50/552338650.db2.gz NUOLUSIMZBTBJN-XATMHOQWSA-N -1 0 523.250 5.425 40 30 KKEBRM CCCCOc1ccc(CN=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)cc1 ZINC000006480835 552593552 /nfs/dbraw/zinc/59/35/52/552593552.db2.gz MEZMIMDVIQQMQI-DHRITJCHSA-N -1 0 534.252 6.308 40 30 KKEBRM CCCOc1ccc(CN=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)c(O)c1 ZINC000006500668 552595969 /nfs/dbraw/zinc/59/59/69/552595969.db2.gz IVWNQLQQESAXAU-BHGWPJFGSA-N -1 0 536.224 5.623 40 30 KKEBRM CC(=O)OC[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]43C)[C@]2(C)CC[C@@H]1OC(C)=O ZINC000008655663 553108534 /nfs/dbraw/zinc/10/85/34/553108534.db2.gz KBLYXYBUIJSJAE-AGRUAJHYSA-N -1 0 570.767 6.527 40 30 KKEBRM CC[C@H](C)[C@H](NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000008788851 553145137 /nfs/dbraw/zinc/14/51/37/553145137.db2.gz PLKXUFTWZZOUBY-SFYPTHFJSA-N -1 0 500.680 5.143 40 30 KKEBRM O=[N+]([O-])c1ccccc1CC=CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000012562569 553394920 /nfs/dbraw/zinc/39/49/20/553394920.db2.gz FUXBCYQCVKTGCT-JQIUPULWSA-N -1 0 501.908 5.068 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1 ZINC000012570159 553398058 /nfs/dbraw/zinc/39/80/58/553398058.db2.gz TVGGJECNKVMGLD-OXUBWTJQSA-N -1 0 514.432 5.154 40 30 KKEBRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000012660232 553411740 /nfs/dbraw/zinc/41/17/40/553411740.db2.gz QEYUAMOEHCQAOC-WGOQTCKBSA-N -1 0 504.515 5.450 40 30 KKEBRM O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000017778551 553599558 /nfs/dbraw/zinc/59/95/58/553599558.db2.gz RQCUGGMYZIGRHU-LJQANCHMSA-N -1 0 514.173 5.390 40 30 KKEBRM O=C([O-])C[C@H](CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000020076992 553676667 /nfs/dbraw/zinc/67/66/67/553676667.db2.gz GDYRNNJTXZQUSG-NTKDMRAZSA-N -1 0 510.373 5.830 40 30 KKEBRM O=C([O-])/C=C/C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681677 553707647 /nfs/dbraw/zinc/70/76/47/553707647.db2.gz BUEDFFYOKTZGSS-OWOJBTEDSA-N -1 0 534.118 5.137 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(C2CCCCC2)cc1 ZINC000096398876 553753299 /nfs/dbraw/zinc/75/32/99/553753299.db2.gz AULPIWXBOOZXKM-USHMODERSA-N -1 0 522.627 6.288 40 30 KKEBRM O=C([O-])[C@H](Cc1ccc(OS(=O)(=O)OC=C(Cl)Cl)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097950033 553803426 /nfs/dbraw/zinc/80/34/26/553803426.db2.gz JDNCIOFMCRYUMK-QHCPKHFHSA-N -1 0 578.426 5.138 40 30 KKEBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000097958938 553859003 /nfs/dbraw/zinc/85/90/03/553859003.db2.gz MITDRGWNKLFDKZ-JAIQZWGSSA-N -1 0 593.377 5.566 40 30 KKEBRM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000033685404 553967772 /nfs/dbraw/zinc/96/77/72/553967772.db2.gz ZRQREPVGJXZRIP-MXAYSNPKSA-N -1 0 510.906 5.487 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000097980709 553990632 /nfs/dbraw/zinc/99/06/32/553990632.db2.gz FSZZFRRDMHNUFF-UCQKPKSFSA-N -1 0 519.377 5.003 40 30 KKEBRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2cccc(Br)c2)cc1 ZINC000097980717 553990680 /nfs/dbraw/zinc/99/06/80/553990680.db2.gz CYVYRMWNCCOBBJ-UCQKPKSFSA-N -1 0 519.377 5.003 40 30 KKEBRM CCOc1ccc([N-]S(=O)(=O)c2cc(/N=C/c3ccc(C(=O)OC)cc3)ccc2OC)cc1Br ZINC000097982314 554001168 /nfs/dbraw/zinc/00/11/68/554001168.db2.gz LSCWUDCDSZYECJ-CVKSISIWSA-N -1 0 547.427 5.194 40 30 KKEBRM CCOc1ccc([N-]S(=O)(=O)c2cc(/N=C/c3cn(-c4ccccc4)nc3-c3cccnc3)ccc2Cl)cc1 ZINC000097982394 554001984 /nfs/dbraw/zinc/00/19/84/554001984.db2.gz AXBAFSVUTAOUOA-BIZUNTBRSA-N -1 0 558.063 6.538 40 30 KKEBRM O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097984218 554015051 /nfs/dbraw/zinc/01/50/51/554015051.db2.gz MMECIRZFAFFKGW-JVCXMKTPSA-N -1 0 626.876 5.656 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OCC ZINC000035657199 554062286 /nfs/dbraw/zinc/06/22/86/554062286.db2.gz HODZPUGQRLKDMS-NVHABHRXSA-N -1 0 519.417 5.569 40 30 KKEBRM C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100022593 554182216 /nfs/dbraw/zinc/18/22/16/554182216.db2.gz GLJSXTIFQNHMIV-XFPJRNFQSA-N -1 0 532.460 5.758 40 30 KKEBRM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100041903 554192601 /nfs/dbraw/zinc/19/26/01/554192601.db2.gz OYJDIUNBPLCGDV-UHFFFAOYSA-N -1 0 508.099 5.451 40 30 KKEBRM C[C@@H](Sc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)C(=O)Nc1nccs1 ZINC000100097219 554218653 /nfs/dbraw/zinc/21/86/53/554218653.db2.gz GEIGNFWNSMSGEA-CTWDJJQWSA-N -1 0 509.465 6.635 40 30 KKEBRM O=C(Nc1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1)c1cccc(Cl)c1 ZINC000038179850 554274024 /nfs/dbraw/zinc/27/40/24/554274024.db2.gz FZVPBNBEGBMYRJ-BHGWPJFGSA-N -1 0 508.597 6.574 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000100301620 554291630 /nfs/dbraw/zinc/29/16/30/554291630.db2.gz DXTBZKMNLHSXOQ-MWRNPHMMSA-N -1 0 542.561 7.408 40 30 KKEBRM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000100313280 554301806 /nfs/dbraw/zinc/30/18/06/554301806.db2.gz WWOCOKAAXQUQKE-UHFFFAOYSA-N -1 0 595.328 5.990 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O ZINC000100314742 554302423 /nfs/dbraw/zinc/30/24/23/554302423.db2.gz QGCGONKGMPTQCJ-UHFFFAOYSA-N -1 0 570.867 6.180 40 30 KKEBRM Cc1ccc(COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1 ZINC000100315709 554302760 /nfs/dbraw/zinc/30/27/60/554302760.db2.gz LCRTZYJAMOIUIR-UHFFFAOYSA-N -1 0 562.106 6.998 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100321984 554306421 /nfs/dbraw/zinc/30/64/21/554306421.db2.gz ZQGQWTSHPLDPCQ-AORAWDAISA-N -1 0 503.536 5.496 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=C3N=C(Nc4cccc(Cl)c4Cl)SC3=O)cc2Br)cc1 ZINC000100331717 554314065 /nfs/dbraw/zinc/31/40/65/554314065.db2.gz ILKJSUVKBIKVSE-YBFXNURJSA-N -1 0 578.271 6.925 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000100397094 554370844 /nfs/dbraw/zinc/37/08/44/554370844.db2.gz JMYCDZIEFZZVQS-ZSOIEALJSA-N -1 0 540.595 5.096 40 30 KKEBRM N#Cc1ccccc1COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000059105180 554380280 /nfs/dbraw/zinc/38/02/80/554380280.db2.gz JMQCYBSJNRAGAC-ZVHZXABRSA-N -1 0 517.497 5.526 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000059135541 554381542 /nfs/dbraw/zinc/38/15/42/554381542.db2.gz BWELXZVLDDYASU-OVVQPSECSA-N -1 0 506.533 6.157 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000059135580 554381648 /nfs/dbraw/zinc/38/16/48/554381648.db2.gz FNSHEVILUDNRDO-OEAKJJBVSA-N -1 0 504.489 5.152 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000059135892 554381964 /nfs/dbraw/zinc/38/19/64/554381964.db2.gz WHVVSWGURRBWDZ-CJLVFECKSA-N -1 0 516.594 6.204 40 30 KKEBRM C=CCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000059136317 554382271 /nfs/dbraw/zinc/38/22/71/554382271.db2.gz UOQMQMNJFGLAST-GXDHUFHOSA-N -1 0 505.365 5.223 40 30 KKEBRM C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000059136308 554382370 /nfs/dbraw/zinc/38/23/70/554382370.db2.gz QZSABAKOFJVGJN-GXDHUFHOSA-N -1 0 505.365 5.223 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccccc1F ZINC000059136380 554382636 /nfs/dbraw/zinc/38/26/36/554382636.db2.gz QFAGTEIRLFBDQE-XSFVSMFZSA-N -1 0 520.557 5.953 40 30 KKEBRM N#Cc1ccccc1COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000059198281 554384610 /nfs/dbraw/zinc/38/46/10/554384610.db2.gz OPUQPIMNFOEXKM-FYJGNVAPSA-N -1 0 502.324 5.406 40 30 KKEBRM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3nc(S[C@@H](c4ccccc4)c4ccc(Cl)cc4)sc3c2)c1 ZINC000100457369 554396659 /nfs/dbraw/zinc/39/66/59/554396659.db2.gz WCFYZDHVWHMYFU-SJHQEIOHSA-N -1 0 532.046 8.196 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474809 554396725 /nfs/dbraw/zinc/39/67/25/554396725.db2.gz SFWJNDIRKFJFAG-FOKLQQMPSA-N -1 0 509.525 5.300 40 30 KKEBRM Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3s2)cc1Cl ZINC000059483457 554397339 /nfs/dbraw/zinc/39/73/39/554397339.db2.gz BCGMGLKBSYUFMY-OPEKNORGSA-N -1 0 513.000 6.353 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000100505823 554407850 /nfs/dbraw/zinc/40/78/50/554407850.db2.gz GQZZGXOIVHEZOL-YSURURNPSA-N -1 0 584.126 6.299 40 30 KKEBRM Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(I)cc(I)c4[O-])c3)oc2c1 ZINC000100511277 554408681 /nfs/dbraw/zinc/40/86/81/554408681.db2.gz FVUDPTOCXNAAOP-OPEKNORGSA-N -1 0 594.190 6.777 40 30 KKEBRM CCCCCCCCCOC(=O)C(/C=C/c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1)C(=O)OCCCCCCCCC ZINC000059664053 554421762 /nfs/dbraw/zinc/42/17/62/554421762.db2.gz IIQCBXYQFUVPAO-LGUFXXKBSA-N -1 0 622.799 8.821 40 30 KKEBRM CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000059663699 554421795 /nfs/dbraw/zinc/42/17/95/554421795.db2.gz RJIPHPZFQJQFJP-UHFFFAOYSA-N -1 0 546.660 8.123 40 30 KKEBRM CCCCCCCCCCCCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCCCCCCCCCCCC ZINC000059663830 554421802 /nfs/dbraw/zinc/42/18/02/554421802.db2.gz DMCGRWUDDGZPGC-UHFFFAOYSA-N -1 0 572.827 9.696 40 30 KKEBRM CCCCCCCCCCOC(=O)C(/C=C/c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1)C(=O)OCCCCCCCCCC ZINC000059664058 554421793 /nfs/dbraw/zinc/42/17/93/554421793.db2.gz GRAPDJIQQHQMRP-SGWCAAJKSA-N -1 0 650.853 9.601 40 30 KKEBRM CC(C)Oc1c(I)cc(I)cc1/C=N/c1cccc(C(=O)[O-])c1 ZINC000100924107 554523151 /nfs/dbraw/zinc/52/31/51/554523151.db2.gz XSUVNUSOXVNDQI-AWQFTUOYSA-N -1 0 535.119 5.132 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000100927409 554524649 /nfs/dbraw/zinc/52/46/49/554524649.db2.gz AFEJTOJULXEZHK-IVUPGEOZSA-N -1 0 538.625 6.750 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000100935618 554529451 /nfs/dbraw/zinc/52/94/51/554529451.db2.gz MBJVFEZCVNWSBB-CUMGKQAMSA-N -1 0 602.370 8.545 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100937348 554531101 /nfs/dbraw/zinc/53/11/01/554531101.db2.gz BDCFMTYXPKBEGX-LGUMZPBXSA-N -1 0 573.468 7.113 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCc1ccccc1 ZINC000100937513 554531277 /nfs/dbraw/zinc/53/12/77/554531277.db2.gz RCSRKRBPVIQKOJ-QDJMWYJCSA-N -1 0 553.434 5.969 40 30 KKEBRM C=C(C)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000067665206 554533314 /nfs/dbraw/zinc/53/33/14/554533314.db2.gz LLGQICNFACCGPR-LDXVMNHOSA-N -1 0 568.182 9.754 40 30 in-vitro KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])[C@H](C)CC)C2=O)cc1OCC ZINC000101014735 554559026 /nfs/dbraw/zinc/55/90/26/554559026.db2.gz JTITWFNMUPDIBD-DKCDORTNSA-N -1 0 507.718 6.525 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OCC ZINC000101014784 554559057 /nfs/dbraw/zinc/55/90/57/554559057.db2.gz FIEZTNIUUVCZBH-LFVJCYFKSA-N -1 0 529.680 6.634 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])[C@H](C)CC)C2=O)cc1OCC ZINC000101014738 554559074 /nfs/dbraw/zinc/55/90/74/554559074.db2.gz JTITWFNMUPDIBD-CTNWAFATSA-N -1 0 507.718 6.525 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000101539391 554795748 /nfs/dbraw/zinc/79/57/48/554795748.db2.gz RIXLTADUBLYSRZ-FOKLQQMPSA-N -1 0 565.152 5.895 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000102454094 554933690 /nfs/dbraw/zinc/93/36/90/554933690.db2.gz ZTJSFCKCBAZFRG-SANMLTNESA-N -1 0 618.111 7.568 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2c3ccccc3c(Cl)c3ccccc32)c([N+](=O)[O-])c1 ZINC000102966078 555180151 /nfs/dbraw/zinc/18/01/51/555180151.db2.gz GUTUDXTVEKYVCG-OCSSWDANSA-N -1 0 561.019 6.810 40 30 KKEBRM COc1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000102983559 555189485 /nfs/dbraw/zinc/18/94/85/555189485.db2.gz CLWKCCIWHPNCOA-BRJLIKDPSA-N -1 0 526.905 5.105 40 30 KKEBRM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000102984328 555190223 /nfs/dbraw/zinc/19/02/23/555190223.db2.gz UEXANLCMHOTNNY-YDZHTSKRSA-N -1 0 523.796 5.648 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4c(Cl)cc([N+](=O)[O-])cc4Cl)c3=O)n2)cc1 ZINC000103328847 555359375 /nfs/dbraw/zinc/35/93/75/555359375.db2.gz WQCSNDGIHIDJCD-WMMMYUQOSA-N -1 0 567.414 6.253 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000103746560 555466735 /nfs/dbraw/zinc/46/67/35/555466735.db2.gz PDNIAYUYCOUGSH-JQAMDZJQSA-N -1 0 514.286 8.658 40 30 KKEBRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)/C(=N/NC(N)=S)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-] ZINC000253504523 560037809 /nfs/dbraw/zinc/03/78/09/560037809.db2.gz GNMBGIPFQQWAMF-XHORUQJFSA-N -1 0 527.819 7.228 40 30 biogenic,in-vitro KKEBRM C=C(C)[C@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(COC(C)=O)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253534740 560039920 /nfs/dbraw/zinc/03/99/20/560039920.db2.gz UTGRZYZMRODBMC-MIGVDIPNSA-N -1 0 514.747 6.633 40 30 biogenic,in-vitro KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000103842139 571362437 /nfs/dbraw/zinc/36/24/37/571362437.db2.gz SSZFQQDQAKUDON-DPNNOFEESA-N -1 0 634.748 7.666 40 30 KKEBRM CCc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000103843265 571362684 /nfs/dbraw/zinc/36/26/84/571362684.db2.gz RUWQYKLEMHYKHD-QHRGSVBCSA-N -1 0 549.696 7.726 40 30 KKEBRM C/N=C1/S/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)N1C ZINC000103843236 571362685 /nfs/dbraw/zinc/36/26/85/571362685.db2.gz VLYUBDQIEYRZFK-UJJGPDFLSA-N -1 0 540.233 5.021 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)NC2=O)cc1 ZINC000103843707 571362805 /nfs/dbraw/zinc/36/28/05/571362805.db2.gz AQNRTAJHOFZNJO-NHDPSOOVSA-N -1 0 543.826 6.271 40 30 KKEBRM Cc1cc(Br)ccc1/N=C1/NC(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)S1 ZINC000103845802 571363274 /nfs/dbraw/zinc/36/32/74/571363274.db2.gz YZJFLZISIZXXRI-XKZIYDEJSA-N -1 0 523.408 5.926 40 30 KKEBRM CCc1ccc(N=C2SC(=Cc3c(O)n(-c4ccc(Cl)cc4)c(=S)[n-]c3=O)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000103846379 571363453 /nfs/dbraw/zinc/36/34/53/571363453.db2.gz NQPHRMMYWFEWQY-KDEGBSSESA-N -1 0 589.142 6.180 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103848444 571363850 /nfs/dbraw/zinc/36/38/50/571363850.db2.gz KMTWJPPSOMNFOK-LPYMAVHISA-N -1 0 618.424 5.998 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103848348 571363851 /nfs/dbraw/zinc/36/38/51/571363851.db2.gz PSKJPMUGCVCANW-LPYMAVHISA-N -1 0 571.424 6.156 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000103850108 571364496 /nfs/dbraw/zinc/36/44/96/571364496.db2.gz HYLIJSOEHQDDIZ-LQKURTRISA-N -1 0 534.547 5.350 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000103850735 571364600 /nfs/dbraw/zinc/36/46/00/571364600.db2.gz YYEVEQNZELKANG-WPWMEQJKSA-N -1 0 536.559 5.961 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000103850587 571364647 /nfs/dbraw/zinc/36/46/47/571364647.db2.gz JVEOWEGWSCMLIW-HZHRSRAPSA-N -1 0 582.369 5.404 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103850575 571364654 /nfs/dbraw/zinc/36/46/54/571364654.db2.gz OSXPOAGSABAYDL-FYJGNVAPSA-N -1 0 525.363 6.106 40 30 KKEBRM 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CYDFPALPMKHQCB-WOAKAZFHSA-N -1 0 646.357 7.121 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\S/C(=N\C4CCCCC4)N(C4CCCCC4)C3=O)cc2I)cc1 ZINC000150630201 571524064 /nfs/dbraw/zinc/52/40/64/571524064.db2.gz LRZGUJYTWLFEPV-PEBYHUBMSA-N -1 0 770.471 8.111 40 30 KKEBRM N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1I ZINC000164398731 571547260 /nfs/dbraw/zinc/54/72/60/571547260.db2.gz DEZKKLDIVOXVMO-RQZCQDPDSA-N -1 0 709.278 5.317 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164408613 571547423 /nfs/dbraw/zinc/54/74/23/571547423.db2.gz FYFJURWJNGEWAA-YBFXNURJSA-N -1 0 620.327 7.034 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000164409790 571547437 /nfs/dbraw/zinc/54/74/37/571547437.db2.gz AQEIROUIWQWNPY-PXLXIMEGSA-N -1 0 642.490 5.968 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000164472194 571548570 /nfs/dbraw/zinc/54/85/70/571548570.db2.gz OXAWXHICTHHIDB-BUVRLJJBSA-N -1 0 687.328 6.426 40 30 KKEBRM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000164521488 571549311 /nfs/dbraw/zinc/54/93/11/571549311.db2.gz JULLTQVMPJWUJY-JQAMDZJQSA-N -1 0 697.188 8.561 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)ccc1Cl ZINC000168699606 571552959 /nfs/dbraw/zinc/55/29/59/571552959.db2.gz SSYQFUUWDAOHQR-MRUKODCESA-N -1 0 554.748 5.577 40 30 KKEBRM CCCCCCCCCCCCCCCC(=O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000169722868 571559510 /nfs/dbraw/zinc/55/95/10/571559510.db2.gz NLGQVCOHKYKWAW-HKBQPEDESA-N -1 0 564.767 7.576 40 30 KKEBRM C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000204880306 571569425 /nfs/dbraw/zinc/56/94/25/571569425.db2.gz YWLYGSSMGSIXLN-HGVSOZRPSA-N -1 0 670.851 5.120 40 30 KKEBRM CCCCCCCCCCCCCCCCCc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000221965099 571604541 /nfs/dbraw/zinc/60/45/41/571604541.db2.gz AQPRQSHMCOYYFU-NGKHCYMSSA-N -1 0 743.009 10.715 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408528477 572164644 /nfs/dbraw/zinc/16/46/44/572164644.db2.gz FEUSUAUMRNKDIS-PMCGIYOFSA-N -1 0 599.131 8.033 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408530650 572172259 /nfs/dbraw/zinc/17/22/59/572172259.db2.gz MYASAXCYVGVGBF-UKRZBMNNSA-N -1 0 575.473 8.079 40 30 KKEBRM Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000408531946 572178047 /nfs/dbraw/zinc/17/80/47/572178047.db2.gz HPSONBCLHGNCTQ-DPKWMRNTSA-N -1 0 504.344 5.774 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408533351 572183193 /nfs/dbraw/zinc/18/31/93/572183193.db2.gz YDLRLFYZPWGREY-ZKZIPFBZSA-N -1 0 655.297 6.879 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408534207 572185745 /nfs/dbraw/zinc/18/57/45/572185745.db2.gz UEZRBEUUKFMKNJ-PCYGFIDKSA-N -1 0 534.637 7.389 40 30 KKEBRM Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(I)cc4)C3=O)cc2)cc1 ZINC000408535335 572188190 /nfs/dbraw/zinc/18/81/90/572188190.db2.gz NQHWWOUBWNTEKP-DPKWMRNTSA-N -1 0 551.344 5.617 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408536851 572192826 /nfs/dbraw/zinc/19/28/26/572192826.db2.gz BJPBKFSXBWUYJW-HAVVHWLPSA-N -1 0 587.511 6.652 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408537205 572193856 /nfs/dbraw/zinc/19/38/56/572193856.db2.gz CUQPSWSKYDMLPG-STZFKDTASA-N -1 0 606.355 7.234 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408537394 572194259 /nfs/dbraw/zinc/19/42/59/572194259.db2.gz DLYKLYRCYXVLTI-HFTWOUSFSA-N -1 0 561.078 7.325 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408537836 572196217 /nfs/dbraw/zinc/19/62/17/572196217.db2.gz HLTJNQMFLFDFTC-RCCKNPSSSA-N -1 0 622.354 7.016 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408537951 572196487 /nfs/dbraw/zinc/19/64/87/572196487.db2.gz ILPUPXDHZYUIEL-HFTWOUSFSA-N -1 0 556.659 6.680 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408538185 572196921 /nfs/dbraw/zinc/19/69/21/572196921.db2.gz KACKWIFANDVQOE-XSFVSMFZSA-N -1 0 563.876 6.517 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408538393 572198038 /nfs/dbraw/zinc/19/80/38/572198038.db2.gz MENDDBGMGCPHTN-XLNRJJMWSA-N -1 0 509.559 5.399 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408538767 572199480 /nfs/dbraw/zinc/19/94/80/572199480.db2.gz QMPNQTDASBNNEJ-RGEXLXHISA-N -1 0 568.295 7.162 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408539059 572200544 /nfs/dbraw/zinc/20/05/44/572200544.db2.gz FAKIAHCPOAGZBT-KGENOOAVSA-N -1 0 533.452 6.798 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br ZINC000408539650 572202785 /nfs/dbraw/zinc/20/27/85/572202785.db2.gz XVYZVDSIQQCKDZ-ZHZULCJRSA-N -1 0 636.337 6.404 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408539599 572202939 /nfs/dbraw/zinc/20/29/39/572202939.db2.gz ILEFNJAFVZAETF-CJLVFECKSA-N -1 0 513.034 6.453 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408540116 572204559 /nfs/dbraw/zinc/20/45/59/572204559.db2.gz NGRSDUPUQUSMJL-HKWRFOASSA-N -1 0 529.431 5.863 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408540721 572206607 /nfs/dbraw/zinc/20/66/07/572206607.db2.gz VKYHPFUETPXAIL-RCCKNPSSSA-N -1 0 547.877 6.817 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542327 572210024 /nfs/dbraw/zinc/21/00/24/572210024.db2.gz KSHDSGOUQBMKFU-WKAAWRMCSA-N -1 0 661.780 7.403 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(CCCc4ccccc4)C3=O)c3ccccc32)o1 ZINC000408544008 572214138 /nfs/dbraw/zinc/21/41/38/572214138.db2.gz UHRFBGFDYCWTPP-PSBWXVDBSA-N -1 0 561.663 7.218 40 30 KKEBRM CCN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408544835 572216841 /nfs/dbraw/zinc/21/68/41/572216841.db2.gz XUPRZRUBJRTFEI-UHJIOYGOSA-N -1 0 556.644 5.441 40 30 KKEBRM C=CCOc1ccc(Br)cc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-] ZINC000408631106 572286924 /nfs/dbraw/zinc/28/69/24/572286924.db2.gz CAORVGQJRXNCEL-ZDLGFXPLSA-N -1 0 523.792 5.944 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1Br ZINC000408632049 572288294 /nfs/dbraw/zinc/28/82/94/572288294.db2.gz CVJKXRPXCJHWLI-YBEGLDIGSA-N -1 0 510.207 5.871 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])n[nH]1 ZINC000408632824 572289239 /nfs/dbraw/zinc/28/92/39/572289239.db2.gz TYJIVLCYJUSLRJ-FMCGGJTJSA-N -1 0 518.982 5.802 40 30 KKEBRM CCn1c(S/C(=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633293 572289956 /nfs/dbraw/zinc/28/99/56/572289956.db2.gz MJADZVYEPRHEJY-OYKKKHCWSA-N -1 0 595.906 7.049 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1OC ZINC000408633728 572290484 /nfs/dbraw/zinc/29/04/84/572290484.db2.gz OVEJPZSPALNTGG-OCKHKDLRSA-N -1 0 549.399 5.308 40 30 KKEBRM C=CCc1cc(/C=C(/Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc(OCC)c1OCc1ccccc1Cl ZINC000408634256 572291256 /nfs/dbraw/zinc/29/12/56/572291256.db2.gz SVESVNOJGIIADC-CVKSISIWSA-N -1 0 613.519 7.976 40 30 KKEBRM C=CCOc1ccc(Br)cc1C=C(Sc1n[nH]c(-c2cc(OC)cc(OC)c2)n1)C(=O)[O-] ZINC000408634465 572291523 /nfs/dbraw/zinc/29/15/23/572291523.db2.gz UYIFIHFDQHCOLO-ODLFYWEKSA-N -1 0 518.389 5.034 40 30 KKEBRM COc1cc(OC)cc(-c2nc(SC(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)[O-])n[nH]2)c1 ZINC000408634525 572291609 /nfs/dbraw/zinc/29/16/09/572291609.db2.gz VSQUPJIXXSFFJL-ZMFRSBBQSA-N -1 0 537.601 5.581 40 30 KKEBRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)[O-] ZINC000014089772 574410893 /nfs/dbraw/zinc/41/08/93/574410893.db2.gz HMMGKOVEOFBCAU-WRXRYVCPSA-N -1 0 512.731 6.839 40 30 endogenous,in-man KKEBRM COC(=O)c1[n-]n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)c1N=Nc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000095671309 1069686391 /nfs/dbraw/zinc/68/63/91/1069686391.db2.gz QPIDLQQLPCBQEG-AAPHRLRXSA-N -1 0 596.098 6.682 40 30 KKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Br)c3[O-])S2)cc1Cl ZINC000408739484 1069737047 /nfs/dbraw/zinc/73/70/47/1069737047.db2.gz WRPPCSKQQFFOQW-RZNTYIFUSA-N -1 0 502.615 5.771 40 30 KKEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408826190 1069744198 /nfs/dbraw/zinc/74/41/98/1069744198.db2.gz BSYFINGJVXWKMA-AVXPXCAYSA-N -1 0 639.752 7.194 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408909990 1069753477 /nfs/dbraw/zinc/75/34/77/1069753477.db2.gz VMSPKQWKWYMQBB-XFNLHSONSA-N -1 0 540.233 5.328 40 30 KKEBRM O=C([O-])COc1c(Br)cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000409090352 1069774939 /nfs/dbraw/zinc/77/49/39/1069774939.db2.gz PDDHJSDAAPQGBE-NNKVJSOYSA-N -1 0 616.331 6.348 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408771528 1069871481 /nfs/dbraw/zinc/87/14/81/1069871481.db2.gz ISQASSJUQSVVQP-MFKUBSTISA-N -1 0 559.460 6.348 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408773228 1069886325 /nfs/dbraw/zinc/88/63/25/1069886325.db2.gz JMIDKJPICROUFO-MFKUBSTISA-N -1 0 541.560 5.194 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1I ZINC000408784063 1069911641 /nfs/dbraw/zinc/91/16/41/1069911641.db2.gz QZEFTUDRKCNHDO-MLPAPPSSSA-N -1 0 675.069 5.558 40 30 KKEBRM O=C(NCc1ccccc1)c1c(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])sc2c1CCCC2 ZINC000408785564 1069914774 /nfs/dbraw/zinc/91/47/74/1069914774.db2.gz HMGOGOYGGJUNTH-ZMFRSBBQSA-N -1 0 514.401 5.684 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792520 1069925015 /nfs/dbraw/zinc/92/50/15/1069925015.db2.gz AQFBCJHIHKTLFM-QERWWCMESA-N -1 0 718.194 7.872 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408796173 1069928653 /nfs/dbraw/zinc/92/86/53/1069928653.db2.gz OIDXMOULANOIHP-QLIPUSLZSA-N -1 0 530.343 5.483 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OCC ZINC000408827495 1070007068 /nfs/dbraw/zinc/00/70/68/1070007068.db2.gz DCOOKPUYPFEAHB-IVOPWSSRSA-N -1 0 765.648 7.799 40 30 KKEBRM C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408832868 1070024606 /nfs/dbraw/zinc/02/46/06/1070024606.db2.gz SCLKJBUMKQNLRW-YDZHTSKRSA-N -1 0 551.382 5.259 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000408846631 1070054581 /nfs/dbraw/zinc/05/45/81/1070054581.db2.gz QYCFUGFNYIMHDZ-XYOKQWHBSA-N -1 0 542.238 5.161 40 30 KKEBRM N#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408850913 1070064814 /nfs/dbraw/zinc/06/48/14/1070064814.db2.gz GHGITCFSIBZCKK-UXBLZVDNSA-N -1 0 590.080 5.252 40 30 KKEBRM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000408854648 1070072500 /nfs/dbraw/zinc/07/25/00/1070072500.db2.gz AQNHPEQJZAWBNQ-UKTHLTGXSA-N -1 0 603.265 5.393 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000408859142 1070080508 /nfs/dbraw/zinc/08/05/08/1070080508.db2.gz WTYKXZAEVBBQQL-UKTHLTGXSA-N -1 0 511.814 5.442 40 30 KKEBRM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(I)c([O-])c(I)c2)S/C1=N\c1ccccc1 ZINC000408876822 1070111176 /nfs/dbraw/zinc/11/11/76/1070111176.db2.gz ODBAKBNGSQDESB-KEBNRDOESA-N -1 0 644.316 6.784 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(I)c([O-])c(I)c3)C(=O)N2Cc2ccccc2)cc1 ZINC000408911017 1070203299 /nfs/dbraw/zinc/20/32/99/1070203299.db2.gz MNINMONLAMODGA-CIFGJUBISA-N -1 0 652.295 6.714 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408917627 1070208765 /nfs/dbraw/zinc/20/87/65/1070208765.db2.gz YPUHMGWGHAGQBL-VJNSTGJUSA-N -1 0 534.229 6.314 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408917451 1070208219 /nfs/dbraw/zinc/20/82/19/1070208219.db2.gz USINOXWNNSZHLI-BCYKQRFFSA-N -1 0 591.483 6.362 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccco4)C3=O)cc2Br)cc1 ZINC000408917753 1070209255 /nfs/dbraw/zinc/20/92/55/1070209255.db2.gz AURHPKXCYWXFKN-VHOCVAHHSA-N -1 0 589.467 7.124 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408917909 1070209769 /nfs/dbraw/zinc/20/97/69/1070209769.db2.gz COYQPHNFYHBETO-DNSOMCPUSA-N -1 0 629.532 7.539 40 30 KKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S/C2=N/c2ccccc2)cc1 ZINC000408917917 1070209781 /nfs/dbraw/zinc/20/97/81/1070209781.db2.gz CRSJZEXTYUSXCY-BMFRLLBWSA-N -1 0 596.577 6.798 40 30 KKEBRM CCCCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408913844 1070211954 /nfs/dbraw/zinc/21/19/54/1070211954.db2.gz RSLAVTFGMMBGED-UBFHDEFQSA-N -1 0 524.278 6.630 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408914812 1070214891 /nfs/dbraw/zinc/21/48/91/1070214891.db2.gz ZBGQNSMLTDVIBW-MFKUBSTISA-N -1 0 514.553 5.507 40 30 KKEBRM COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408915538 1070216748 /nfs/dbraw/zinc/21/67/48/1070216748.db2.gz XIOZOGDLKPCUHI-UHFFFAOYSA-N -1 0 540.309 5.040 40 30 KKEBRM COc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408918253 1070231228 /nfs/dbraw/zinc/23/12/28/1070231228.db2.gz IFPTYLKNUNVCQA-RGYAJZRCSA-N 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/nfs/dbraw/zinc/26/22/39/1070262239.db2.gz HSNQSJLXMSGNAX-YRDVNVGOSA-N -1 0 562.445 6.441 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408931254 1070262812 /nfs/dbraw/zinc/26/28/12/1070262812.db2.gz JBWYHSAOWIXNQA-WOAKAZFHSA-N -1 0 648.906 6.773 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408934072 1070268076 /nfs/dbraw/zinc/26/80/76/1070268076.db2.gz CMWCFMNUQPGIMU-ZBKNUEDVSA-N -1 0 565.276 6.753 40 30 KKEBRM COC(=O)c1ccccc1-c1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)o1 ZINC000408933397 1070265708 /nfs/dbraw/zinc/26/57/08/1070265708.db2.gz JHSUJBGMCSSTPX-HJZSEULOSA-N -1 0 568.607 6.244 40 30 KKEBRM Cc1ccc(NC(=O)COc2ccc(/C=C3\S/C(=N\c4cccc(C(=O)[O-])c4C)N(C)C3=O)cc2)cc1 ZINC000408932078 1070279122 /nfs/dbraw/zinc/27/91/22/1070279122.db2.gz SUXMYBUBHNNFAM-JNGXCMENSA-N -1 0 515.591 5.253 40 30 KKEBRM C=CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408942330 1070302473 /nfs/dbraw/zinc/30/24/73/1070302473.db2.gz ZDSRGZUOUCYXBN-UCQKPKSFSA-N -1 0 523.372 5.804 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408943301 1070304826 /nfs/dbraw/zinc/30/48/26/1070304826.db2.gz YUAOFOUQDPEZGI-QHMIWGDOSA-N -1 0 708.030 8.591 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408960753 1070321433 /nfs/dbraw/zinc/32/14/33/1070321433.db2.gz INJMNGQBPDHDAB-OEAKJJBVSA-N -1 0 614.461 6.167 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(Cl)cc1 ZINC000408965070 1070330545 /nfs/dbraw/zinc/33/05/45/1070330545.db2.gz GEVZJWHQPWQHEB-OLZWGXQXSA-N -1 0 523.010 6.250 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C(=O)[O-])ccc3C)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966953 1070332096 /nfs/dbraw/zinc/33/20/96/1070332096.db2.gz OFVBVIQUPQRKHD-DFZXFXTASA-N -1 0 501.652 6.632 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408982108 1070339637 /nfs/dbraw/zinc/33/96/37/1070339637.db2.gz FULRUCXZIGTJLH-BRPDVVIDSA-N -1 0 516.597 6.376 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408990527 1070355963 /nfs/dbraw/zinc/35/59/63/1070355963.db2.gz NRTVSEULNWORQR-PKAZHMFMSA-N -1 0 535.600 5.493 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(C=C3C(=O)c4ccccc4C3=O)cc2I)cc1 ZINC000408996284 1070365121 /nfs/dbraw/zinc/36/51/21/1070365121.db2.gz LUZBMYXJUTUMDM-UHFFFAOYSA-N -1 0 636.179 5.636 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408994742 1070370963 /nfs/dbraw/zinc/37/09/63/1070370963.db2.gz ZZWHBKGIOPIYIW-QRVIBDJDSA-N -1 0 561.978 5.539 40 30 KKEBRM O=C([O-])c1ccc(COc2c(I)cc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)cc2I)cc1 ZINC000408999021 1070374000 /nfs/dbraw/zinc/37/40/00/1070374000.db2.gz RECUJNDQWOYQLL-MUXKCCDJSA-N -1 0 712.303 5.639 40 30 KKEBRM CN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409009930 1070387781 /nfs/dbraw/zinc/38/77/81/1070387781.db2.gz ITPPASYDJXQZFD-SXVACTGTSA-N -1 0 517.788 6.295 40 30 KKEBRM CCCN1C2=C(C(=O)CCC2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CCCC2=O ZINC000409031290 1070416008 /nfs/dbraw/zinc/41/60/08/1070416008.db2.gz AIQVEBYPONCDDR-UHFFFAOYSA-N -1 0 509.238 5.741 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1[O-] ZINC000409050583 1070465304 /nfs/dbraw/zinc/46/53/04/1070465304.db2.gz XGHTUARMRACSLJ-UHFFFAOYSA-N -1 0 538.515 7.627 40 30 KKEBRM CCN1C(=O)/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409051449 1070466721 /nfs/dbraw/zinc/46/67/21/1070466721.db2.gz COKUHQHJJMMJLM-FLNDSNKGSA-N -1 0 587.495 7.503 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409055843 1070476953 /nfs/dbraw/zinc/47/69/53/1070476953.db2.gz QGXFSXUZSRRWMA-BTFZAQEFSA-N -1 0 519.535 5.114 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409064066 1070479714 /nfs/dbraw/zinc/47/97/14/1070479714.db2.gz BKKIYCYKSXPBLO-UHFFFAOYSA-N -1 0 516.034 5.135 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409067998 1070484766 /nfs/dbraw/zinc/48/47/66/1070484766.db2.gz FGPFBVFJXRDPTQ-UHFFFAOYSA-N -1 0 658.383 7.889 40 30 KKEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C2=C1CCCC2=O ZINC000409068320 1070485360 /nfs/dbraw/zinc/48/53/60/1070485360.db2.gz AJCVQHIJSGGGAB-UHFFFAOYSA-N -1 0 576.454 5.259 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000409074701 1070487462 /nfs/dbraw/zinc/48/74/62/1070487462.db2.gz UTBLETNBVHMSGX-UHFFFAOYSA-N -1 0 624.926 6.303 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409075042 1070488387 /nfs/dbraw/zinc/48/83/87/1070488387.db2.gz XASUZTFVOLRJSH-UHFFFAOYSA-N -1 0 676.648 7.926 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Cl)cc(Cl)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409077148 1070492187 /nfs/dbraw/zinc/49/21/87/1070492187.db2.gz DBMMJHIYWLDMNJ-RNWQJLHQSA-N -1 0 501.479 7.914 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)c2C(=O)NCc2ccco2)C1 ZINC000409077373 1070493061 /nfs/dbraw/zinc/49/30/61/1070493061.db2.gz DHWSCIKKUPRJPY-BAHYRHEWSA-N -1 0 649.607 8.212 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409070161 1070495622 /nfs/dbraw/zinc/49/56/22/1070495622.db2.gz NDYCEZGRXWQVSI-BUVRLJJBSA-N -1 0 516.981 5.713 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409070578 1070495718 /nfs/dbraw/zinc/49/57/18/1070495718.db2.gz ZSEFPLIYOBBPGQ-OEAKJJBVSA-N -1 0 518.953 5.028 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409073132 1070499591 /nfs/dbraw/zinc/49/95/91/1070499591.db2.gz VEPBBWVXKHSDPH-UDWIEESQSA-N -1 0 571.844 6.629 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409073997 1070501099 /nfs/dbraw/zinc/50/10/99/1070501099.db2.gz OZTRJIMKNHZMPY-UHFFFAOYSA-N -1 0 589.732 7.850 40 30 KKEBRM COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409080701 1070503196 /nfs/dbraw/zinc/50/31/96/1070503196.db2.gz NTQPSBLHKLCPRJ-ADTOWFOKSA-N -1 0 631.194 8.841 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)cc(I)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409082086 1070506047 /nfs/dbraw/zinc/50/60/47/1070506047.db2.gz RORDOYGTMSVEMM-DBUPPGCOSA-N -1 0 641.369 7.245 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409083085 1070507770 /nfs/dbraw/zinc/50/77/70/1070507770.db2.gz RWRQCSWFOKLHAT-LJKFRJGNSA-N -1 0 595.548 9.167 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(Cl)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409078722 1070514122 /nfs/dbraw/zinc/51/41/22/1070514122.db2.gz JHVKBDMPCJXOEL-YJDIGNJUSA-N -1 0 535.924 8.568 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079032 1070514588 /nfs/dbraw/zinc/51/45/88/1070514588.db2.gz KHLSGQPZMQPATB-XDHOZWIPSA-N -1 0 592.948 5.661 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)cc(Cl)c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409092967 1070516792 /nfs/dbraw/zinc/51/67/92/1070516792.db2.gz YGWFVRHFMMLDSW-FFCNRAIOSA-N -1 0 545.930 8.024 40 30 KKEBRM O=C1/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000409088789 1070522743 /nfs/dbraw/zinc/52/27/43/1070522743.db2.gz YEFHLGNBWUUNPL-CIFGJUBISA-N -1 0 558.295 6.590 40 30 KKEBRM C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Br ZINC000409195878 1070615677 /nfs/dbraw/zinc/61/56/77/1070615677.db2.gz WWSHHVYVGDTSSP-WOJGMQOQSA-N -1 0 620.294 5.073 40 30 KKEBRM COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)SC2=Nc2ccccc2)cc1 ZINC000409212989 1070636653 /nfs/dbraw/zinc/63/66/53/1070636653.db2.gz SUNZKDAWJZUMCK-GUBSXUCISA-N -1 0 537.641 6.605 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(Br)c2)S1 ZINC000409250295 1070667035 /nfs/dbraw/zinc/66/70/35/1070667035.db2.gz MXUPVOXPNFVIFU-VIZOYTHASA-N -1 0 560.651 5.528 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000409285888 1070722320 /nfs/dbraw/zinc/72/23/20/1070722320.db2.gz PCUBQGUKUQJACP-UHFFFAOYSA-N -1 0 580.566 6.974 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c(Br)c2)cc1C(C)C ZINC000409285919 1070722453 /nfs/dbraw/zinc/72/24/53/1070722453.db2.gz PFCCXWYBAHJEAJ-IBGZPJMESA-N -1 0 592.490 6.391 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409284527 1070740172 /nfs/dbraw/zinc/74/01/72/1070740172.db2.gz LRBNRGVWMFWRER-UHFFFAOYSA-N -1 0 772.175 6.651 40 30 KKEBRM O=C([O-])c1cccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1 ZINC000409283719 1070737924 /nfs/dbraw/zinc/73/79/24/1070737924.db2.gz SRONDKBPURRYHZ-UHFFFAOYSA-N -1 0 594.421 6.732 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409284937 1070741039 /nfs/dbraw/zinc/74/10/39/1070741039.db2.gz SHGZRPJQPLEDIC-SFHVURJKSA-N -1 0 655.489 5.851 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409285101 1070741708 /nfs/dbraw/zinc/74/17/08/1070741708.db2.gz MTQVZFHXDQCAKE-UHFFFAOYSA-N -1 0 561.638 6.663 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409294225 1070750010 /nfs/dbraw/zinc/75/00/10/1070750010.db2.gz AMEQMZQNMNCCCK-UHFFFAOYSA-N -1 0 782.239 8.265 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(Br)cc(Br)c([O-])c1Br ZINC000409294672 1070750898 /nfs/dbraw/zinc/75/08/98/1070750898.db2.gz CBNZJWXLDSBBTM-UHFFFAOYSA-N -1 0 608.910 5.597 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409289843 1070761240 /nfs/dbraw/zinc/76/12/40/1070761240.db2.gz PKQUMRSTZBRGAV-FQEVSTJZSA-N -1 0 543.620 5.637 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409290676 1070763202 /nfs/dbraw/zinc/76/32/02/1070763202.db2.gz AFUHUWJXXXAEJZ-UHFFFAOYSA-N -1 0 601.679 5.227 40 30 KKEBRM C[C@H](C(=O)[O-])n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc21 ZINC000409298082 1070770354 /nfs/dbraw/zinc/77/03/54/1070770354.db2.gz NCBZFAJXCHMFNP-MRXNPFEDSA-N -1 0 555.388 6.055 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000409300445 1070775861 /nfs/dbraw/zinc/77/58/61/1070775861.db2.gz ZBGRRQWFRXODJS-UHFFFAOYSA-N -1 0 543.501 6.242 40 30 KKEBRM O=C([O-])c1ccc(COc2c(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cccc2[N+](=O)[O-])cc1 ZINC000409300123 1070774829 /nfs/dbraw/zinc/77/48/29/1070774829.db2.gz XAPWVYSTBJFOSX-UHFFFAOYSA-N -1 0 526.549 5.512 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCC(=O)[O-] ZINC000409304049 1070784343 /nfs/dbraw/zinc/78/43/43/1070784343.db2.gz PJCNATOLCZBEIM-UHFFFAOYSA-N -1 0 593.272 5.323 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409302818 1070781968 /nfs/dbraw/zinc/78/19/68/1070781968.db2.gz KUGGWRGHVOYVAX-UHFFFAOYSA-N -1 0 507.388 5.270 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409321713 1070810196 /nfs/dbraw/zinc/81/01/96/1070810196.db2.gz IZDYALYFKLVSBI-QWHCGFSZSA-N -1 0 629.733 6.221 40 30 KKEBRM O=C([O-])COc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409322100 1070810537 /nfs/dbraw/zinc/81/05/37/1070810537.db2.gz KLODNKKRFCZCJZ-UHFFFAOYSA-N -1 0 518.795 5.206 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000409322787 1070811814 /nfs/dbraw/zinc/81/18/14/1070811814.db2.gz LCPLAFMAVSKSSA-UHFFFAOYSA-N -1 0 528.790 5.995 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409323764 1070813659 /nfs/dbraw/zinc/81/36/59/1070813659.db2.gz QEGHYEHSXOVBAH-UHFFFAOYSA-N -1 0 623.460 5.968 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCC(=O)[O-] ZINC000409314703 1070815460 /nfs/dbraw/zinc/81/54/60/1070815460.db2.gz SWNPZYIZGORPDJ-ZDUSSCGKSA-N -1 0 581.261 5.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC000409316828 1070820082 /nfs/dbraw/zinc/82/00/82/1070820082.db2.gz NHCBMWCKTBRQOI-UHFFFAOYSA-N -1 0 627.539 7.069 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=N)s1 ZINC000409336957 1070857958 /nfs/dbraw/zinc/85/79/58/1070857958.db2.gz RMVMCVBYLSUQDY-CKRRQIFKSA-N -1 0 529.043 5.198 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408906156 1070896819 /nfs/dbraw/zinc/89/68/19/1070896819.db2.gz HWBKYUXOLNKMNG-BPRICDSQSA-N -1 0 600.434 5.567 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408899939 1070939424 /nfs/dbraw/zinc/93/94/24/1070939424.db2.gz QNRCZOGDUXSBKT-BUVRLJJBSA-N -1 0 595.877 6.475 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408909665 1070975875 /nfs/dbraw/zinc/97/58/75/1070975875.db2.gz IAVRTDXDROLLIE-ITWWWJCVSA-N -1 0 600.434 5.962 40 30 KKEBRM C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N\c1ccccc1 ZINC000408909451 1070976578 /nfs/dbraw/zinc/97/65/78/1070976578.db2.gz HNFSYRPCNGVMQO-ZPTXOXNNSA-N -1 0 529.017 7.663 40 30 KKEBRM C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263896 1070985884 /nfs/dbraw/zinc/98/58/84/1070985884.db2.gz CGTOVIZZUMDLJE-ZLHRWQCLSA-N -1 0 525.472 8.026 40 30 KKEBRM C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccccc1 ZINC000408907847 1070987839 /nfs/dbraw/zinc/98/78/39/1070987839.db2.gz PGJKHWWXTOQRFR-HEWDXIBNSA-N -1 0 558.295 7.282 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408907715 1070989113 /nfs/dbraw/zinc/98/91/13/1070989113.db2.gz PACKIJJSXUWIJU-MMUBZGPSSA-N -1 0 614.461 6.128 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408917147 1070992436 /nfs/dbraw/zinc/99/24/36/1070992436.db2.gz NTPKJEIXHVZHJA-VEILYXNESA-N -1 0 566.654 6.516 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](C(C)C)O[C@@H]1c1cc(OCc2ccccc2)ccc1OCC(=O)[O-] ZINC000585264420 1070993716 /nfs/dbraw/zinc/99/37/16/1070993716.db2.gz BKCHTBSNYSHFEI-OFGNKZJFSA-N -1 0 535.080 7.845 40 30 KKEBRM CCOC(=O)COc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408916767 1070998104 /nfs/dbraw/zinc/99/81/04/1070998104.db2.gz HDKPSBVGLABKLB-LERWUDDOSA-N -1 0 686.524 6.134 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408917043 1070994176 /nfs/dbraw/zinc/99/41/76/1070994176.db2.gz LKDGMDGTQDLFRP-WQCVWPLISA-N -1 0 704.586 8.080 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@@H](C(C)C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000585263932 1070994462 /nfs/dbraw/zinc/99/44/62/1070994462.db2.gz JIKQMYQWOPJLKJ-CUTKCQJKSA-N -1 0 567.553 9.052 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408916909 1070996069 /nfs/dbraw/zinc/99/60/69/1070996069.db2.gz IMQYKTGHDJYBLT-KINCXPHCSA-N -1 0 663.977 8.193 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408916920 1070996235 /nfs/dbraw/zinc/99/62/35/1070996235.db2.gz IUIPTNDSNWTAKO-KINCXPHCSA-N -1 0 694.522 7.520 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2Cc2ccccc2)cc1 ZINC000408915622 1071007111 /nfs/dbraw/zinc/00/71/11/1071007111.db2.gz ZAJXIZCRAUJHTB-VNKJZNQASA-N -1 0 529.017 7.411 40 30 KKEBRM C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](c2ccc(OC)cc2)O[C@@H]1c1cc(F)ccc1OCC(=O)[O-] ZINC000585267490 1071008152 /nfs/dbraw/zinc/00/81/52/1071008152.db2.gz ODFXUTRAIPSPDE-JJUMQRNRSA-N -1 0 510.989 7.130 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408913650 1071016357 /nfs/dbraw/zinc/01/63/57/1071016357.db2.gz QZTGTXDZENEXNN-VNKJZNQASA-N -1 0 529.017 7.724 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000408913262 1071019232 /nfs/dbraw/zinc/01/92/32/1071019232.db2.gz SKVHVVSUNCTOJI-VXQSOKKJSA-N -1 0 502.592 5.395 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408912022 1071058897 /nfs/dbraw/zinc/05/88/97/1071058897.db2.gz PNCXJFSSAZKHJW-OGLMXYFKSA-N -1 0 550.586 6.352 40 30 KKEBRM CCCCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408910858 1071065234 /nfs/dbraw/zinc/06/52/34/1071065234.db2.gz LPDXQUGQPFKIDE-GQKMNLJRSA-N -1 0 580.444 5.476 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408917432 1071145856 /nfs/dbraw/zinc/14/58/56/1071145856.db2.gz UIMGKOPXJLOMLH-MSPQWDQXSA-N -1 0 678.004 8.583 40 30 KKEBRM CCOC(=O)COc1ccccc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000408917572 1071143867 /nfs/dbraw/zinc/14/38/67/1071143867.db2.gz XOLCYDVJAZFLFK-HOSXVWCNSA-N -1 0 516.575 5.131 40 30 KKEBRM COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408931687 1071150491 /nfs/dbraw/zinc/15/04/91/1071150491.db2.gz OYYDOBMXRMKQEU-LQKURTRISA-N -1 0 525.399 5.322 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931653 1071150570 /nfs/dbraw/zinc/15/05/70/1071150570.db2.gz ONSWJGRLJQNVCD-OTACCIFUSA-N -1 0 633.097 7.578 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408931469 1071151073 /nfs/dbraw/zinc/15/10/73/1071151073.db2.gz MCQPKURUTREDBS-BUXGOBLGSA-N -1 0 632.698 7.417 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408931476 1071151130 /nfs/dbraw/zinc/15/11/30/1071151130.db2.gz MEBSIKCYKGUROS-CQKZKLDESA-N -1 0 638.540 6.414 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408931128 1071155748 /nfs/dbraw/zinc/15/57/48/1071155748.db2.gz HNTMLHFMSDUDQS-YSKQPDFISA-N -1 0 678.548 7.663 40 30 KKEBRM COCCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000408931399 1071153143 /nfs/dbraw/zinc/15/31/43/1071153143.db2.gz LDBDRLDXCUJJIE-SDOFRJHVSA-N -1 0 581.488 6.367 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408931154 1071153770 /nfs/dbraw/zinc/15/37/70/1071153770.db2.gz HSZSFYOBKDHWET-STBIYBPSSA-N -1 0 586.426 5.554 40 30 KKEBRM CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc12 ZINC000408930649 1071158848 /nfs/dbraw/zinc/15/88/48/1071158848.db2.gz ABWRGUJWVLHFSC-QSTDEECPSA-N -1 0 538.625 6.750 40 30 KKEBRM CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930555 1071160938 /nfs/dbraw/zinc/16/09/38/1071160938.db2.gz YPDYZZFKJHEWKM-WGDWCZOWSA-N -1 0 610.563 7.885 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)S/C1=N/c1ccccc1 ZINC000408929628 1071168918 /nfs/dbraw/zinc/16/89/18/1071168918.db2.gz LVVAQORUKWVASH-UNTXSTRGSA-N -1 0 581.090 6.656 40 30 KKEBRM CCOCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)S/C1=N/c1ccccc1 ZINC000408928543 1071181076 /nfs/dbraw/zinc/18/10/76/1071181076.db2.gz BXOOPNSVQAZNNS-WZGRHJFWSA-N -1 0 502.592 5.604 40 30 KKEBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(C(=O)[O-])c4C)N(C)C3=O)c2C)c(C)c1 ZINC000408935160 1071226103 /nfs/dbraw/zinc/22/61/03/1071226103.db2.gz MSRZNQDKPODSBV-AFLFMGIPSA-N -1 0 517.607 5.430 40 30 KKEBRM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408934747 1071231606 /nfs/dbraw/zinc/23/16/06/1071231606.db2.gz MILBUHYYCNCEFM-CCZFINHFSA-N -1 0 642.329 7.153 40 30 KKEBRM Cc1c(/N=C2\S/C(=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C(=O)N2C)cccc1C(=O)[O-] ZINC000408933191 1071245717 /nfs/dbraw/zinc/24/57/17/1071245717.db2.gz IGYVDSBDZIWJBO-ZHELPIKKSA-N -1 0 553.596 6.567 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408932858 1071248261 /nfs/dbraw/zinc/24/82/61/1071248261.db2.gz FDUUAHDQYBVWHV-OJKSJTCQSA-N -1 0 672.541 6.608 40 30 KKEBRM O=C([O-])COc1c(I)cc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1I ZINC000408932139 1071254858 /nfs/dbraw/zinc/25/48/58/1071254858.db2.gz UNSXTWAKKPVVHT-NFASZRGGSA-N -1 0 794.365 6.595 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408932021 1071256758 /nfs/dbraw/zinc/25/67/58/1071256758.db2.gz AVYWCEPWBVOLLQ-BSFFGKOQSA-N -1 0 640.117 7.310 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408941522 1071306981 /nfs/dbraw/zinc/30/69/81/1071306981.db2.gz VYPYPMQSLAOKLA-ZHTLXXMMSA-N -1 0 650.982 8.021 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408939734 1071322431 /nfs/dbraw/zinc/32/24/31/1071322431.db2.gz UDOZWWPEFZHFLU-XOXQHGIQSA-N -1 0 641.677 6.363 40 30 KKEBRM CCOC(=O)COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000408937323 1071340931 /nfs/dbraw/zinc/34/09/31/1071340931.db2.gz QIVBRFHZBXBMJD-HJZSEULOSA-N -1 0 590.654 5.538 40 30 KKEBRM COc1ccc(/N=C2\S/C(=C\c3ccc(OC)c(I)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408937415 1071342120 /nfs/dbraw/zinc/34/21/20/1071342120.db2.gz QQCUVHHBUUJJBG-GWISFZTMSA-N -1 0 600.434 5.811 40 30 KKEBRM Cc1ccc(C(=O)[O-])cc1N=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1C ZINC000408950000 1071357950 /nfs/dbraw/zinc/35/79/50/1071357950.db2.gz CZDNCBUYQVVPJZ-QDTXFXTASA-N -1 0 500.168 5.045 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408949909 1071358944 /nfs/dbraw/zinc/35/89/44/1071358944.db2.gz SRQPSMLTVWVTBC-FBHDLOMBSA-N -1 0 500.407 6.299 40 30 KKEBRM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000408956957 1071374574 /nfs/dbraw/zinc/37/45/74/1071374574.db2.gz RXJUOMCTJGTFBN-DUEWUTTHSA-N -1 0 776.435 5.009 40 30 KKEBRM C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408955141 1071386746 /nfs/dbraw/zinc/38/67/46/1071386746.db2.gz SSEWCOATOCNFKY-STBIYBPSSA-N -1 0 530.624 5.986 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408953961 1071393459 /nfs/dbraw/zinc/39/34/59/1071393459.db2.gz QRNBBYHJDXTTNR-WSDLNYQXSA-N -1 0 546.963 5.051 40 30 KKEBRM COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408961879 1071405390 /nfs/dbraw/zinc/40/53/90/1071405390.db2.gz PDHXTXULEUKPII-RGVLZGJSSA-N -1 0 563.846 6.824 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408966915 1071408570 /nfs/dbraw/zinc/40/85/70/1071408570.db2.gz RGPZFPVNFSOYJH-LPYMAVHISA-N -1 0 543.428 6.561 40 30 KKEBRM COc1cc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965502 1071414041 /nfs/dbraw/zinc/41/40/41/1071414041.db2.gz IBJOUTHDYQWTBD-CJUPBPKFSA-N -1 0 517.607 5.272 40 30 KKEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408965376 1071414869 /nfs/dbraw/zinc/41/48/69/1071414869.db2.gz KXIDSIGBEMIVCM-LPYMAVHISA-N -1 0 524.982 5.526 40 30 KKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C(=O)[O-])c4)N(C)C3=O)c2C)c1 ZINC000408964009 1071419347 /nfs/dbraw/zinc/41/93/47/1071419347.db2.gz BCRHYEIYBGPEKA-QAAICXCNSA-N -1 0 503.580 5.203 40 30 KKEBRM O=C([O-])c1cccc(Cn2cc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)c3ccccc32)c1 ZINC000408963230 1071424565 /nfs/dbraw/zinc/42/45/65/1071424565.db2.gz BALYDTMHAKYNAV-WSDLNYQXSA-N -1 0 522.413 6.586 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408961597 1071429702 /nfs/dbraw/zinc/42/97/02/1071429702.db2.gz NTLHWWAYDDCZGV-YZSQISJMSA-N -1 0 528.630 6.291 40 30 KKEBRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000408960465 1071432617 /nfs/dbraw/zinc/43/26/17/1071432617.db2.gz LYFQXPQOEHUASO-ZYXDICAXSA-N -1 0 514.603 5.747 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)o1 ZINC000408960410 1071432891 /nfs/dbraw/zinc/43/28/91/1071432891.db2.gz FPCLPNGIVLEWCA-BOJSJVFISA-N -1 0 508.599 6.800 40 30 KKEBRM COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408960031 1071435185 /nfs/dbraw/zinc/43/51/85/1071435185.db2.gz IEMLCMWTLFWJGY-MRYWEKRUSA-N -1 0 552.656 6.054 40 30 KKEBRM CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408968518 1071462131 /nfs/dbraw/zinc/46/21/31/1071462131.db2.gz ZZHOTEIZXRENSX-WEAIDNMYSA-N -1 0 571.699 6.587 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408985190 1071501867 /nfs/dbraw/zinc/50/18/67/1071501867.db2.gz ADPHQUSPERMNID-XKZIYDEJSA-N -1 0 534.971 5.770 40 30 KKEBRM O=C1/C(=C/c2cc(Br)c([O-])c(I)c2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000408727211 1071510820 /nfs/dbraw/zinc/51/08/20/1071510820.db2.gz QMYXCPZPSOJXGG-YERBRMDYSA-N -1 0 583.289 6.696 40 30 KKEBRM COc1ccc(NC(=O)[C@H](CCCNC(=NC(=O)OCc2ccccc2)[N-]C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000408720436 1071512394 /nfs/dbraw/zinc/51/23/94/1071512394.db2.gz OVVGTKMGLOFRCJ-YTTGMZPUSA-N -1 0 681.746 5.918 40 30 KKEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1Cl ZINC000408984058 1071512600 /nfs/dbraw/zinc/51/26/00/1071512600.db2.gz HVWXIUWBUMPNEF-UWVJOHFNSA-N -1 0 629.692 6.291 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408983038 1071521099 /nfs/dbraw/zinc/52/10/99/1071521099.db2.gz JTXKTSONDRHIGJ-UCQKPKSFSA-N -1 0 504.945 5.761 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408982988 1071521192 /nfs/dbraw/zinc/52/11/92/1071521192.db2.gz JJIOCNSTADXLGP-UQQQWYQISA-N -1 0 511.534 5.131 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408982972 1071523086 /nfs/dbraw/zinc/52/30/86/1071523086.db2.gz JGDFZYPGSTZVTF-UUYOSTAYSA-N -1 0 555.845 6.929 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408982301 1071527175 /nfs/dbraw/zinc/52/71/75/1071527175.db2.gz GJMLXPIOUFECTQ-XKZIYDEJSA-N -1 0 614.323 7.292 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408981860 1071530780 /nfs/dbraw/zinc/53/07/80/1071530780.db2.gz CKDSLRFNGDZZJQ-ONUIUJJFSA-N -1 0 589.486 6.384 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408981363 1071536397 /nfs/dbraw/zinc/53/63/97/1071536397.db2.gz AQSTVUOYZFMKOW-IWIPYMOSSA-N -1 0 500.982 5.931 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408994326 1071559238 /nfs/dbraw/zinc/55/92/38/1071559238.db2.gz YLUVNBKJGSZEOV-OYKKKHCWSA-N -1 0 548.998 6.160 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408992911 1071568218 /nfs/dbraw/zinc/56/82/18/1071568218.db2.gz UYUQAPMUQROZMR-XYGWBWBKSA-N -1 0 622.459 5.836 40 30 KKEBRM Cc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408991886 1071575648 /nfs/dbraw/zinc/57/56/48/1071575648.db2.gz ZGICJTNZGOETJO-KCSSXMTESA-N -1 0 511.647 6.413 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408991568 1071581132 /nfs/dbraw/zinc/58/11/32/1071581132.db2.gz QLBVJTBFPPQKTI-YUMHPJSZSA-N -1 0 567.041 6.784 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408991211 1071583008 /nfs/dbraw/zinc/58/30/08/1071583008.db2.gz PRNBCPDLNQZHRM-OYKKKHCWSA-N -1 0 576.005 5.929 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408990982 1071585570 /nfs/dbraw/zinc/58/55/70/1071585570.db2.gz PGURJYLGDRMABR-UUYOSTAYSA-N -1 0 583.841 6.524 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408989817 1071595199 /nfs/dbraw/zinc/59/51/99/1071595199.db2.gz VETRYMKEUMKRTP-XYGWBWBKSA-N -1 0 531.008 5.885 40 30 KKEBRM COc1ccc(Nc2nc(=NN=Cc3cc(Br)c([O-])c(OC)c3[N+](=O)[O-])nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000408728919 1071595723 /nfs/dbraw/zinc/59/57/23/1071595723.db2.gz AOBABZYLPILJGY-KCSSXMTESA-N -1 0 663.533 5.914 40 30 KKEBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408988882 1071600529 /nfs/dbraw/zinc/60/05/29/1071600529.db2.gz RXQNEPUABPBPGJ-JAIQZWGSSA-N -1 0 519.026 5.534 40 30 KKEBRM O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)S2)ccc1Cl ZINC000408988719 1071602078 /nfs/dbraw/zinc/60/20/78/1071602078.db2.gz FRKOVUOSSRPRJP-UUYOSTAYSA-N -1 0 563.016 6.537 40 30 KKEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)S2)c1 ZINC000408987582 1071612005 /nfs/dbraw/zinc/61/20/05/1071612005.db2.gz BIECCAMKMUBNJX-MXAYSNPKSA-N -1 0 584.635 6.069 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408987630 1071612415 /nfs/dbraw/zinc/61/24/15/1071612415.db2.gz GBXCXRWZCIEVQH-UQQQWYQISA-N -1 0 528.580 5.761 40 30 KKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S1 ZINC000408997118 1071615319 /nfs/dbraw/zinc/61/53/19/1071615319.db2.gz RHEQVPFTASJRDX-NHDPSOOVSA-N -1 0 730.749 7.026 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408755608 1071643805 /nfs/dbraw/zinc/64/38/05/1071643805.db2.gz OWFGWFXLKRGCNB-MHWRWJLKSA-N -1 0 564.230 5.150 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)o2)cc1Cl ZINC000408999675 1071653611 /nfs/dbraw/zinc/65/36/11/1071653611.db2.gz RXQIIEWEQPTEKH-OLCXPRTASA-N -1 0 507.011 7.235 40 30 KKEBRM Cc1cc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)S2)cc(C)c1Br ZINC000408752374 1071664973 /nfs/dbraw/zinc/66/49/73/1071664973.db2.gz IDPNFBHTRSJZLH-GRSHGNNSSA-N -1 0 531.815 6.569 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408752107 1071667265 /nfs/dbraw/zinc/66/72/65/1071667265.db2.gz BUIREKNNKZSUIH-OVVQPSECSA-N -1 0 581.466 6.885 40 30 KKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)o1 ZINC000409014700 1071674466 /nfs/dbraw/zinc/67/44/66/1071674466.db2.gz YCRWFDUYXXQHKY-LSTCOMAYSA-N -1 0 531.815 6.603 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1Br ZINC000408750265 1071676606 /nfs/dbraw/zinc/67/66/06/1071676606.db2.gz YWOUIGWXQFYHHU-GIDUJCDVSA-N -1 0 502.173 5.111 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409011307 1071687397 /nfs/dbraw/zinc/68/73/97/1071687397.db2.gz HADZZNAIECNBON-IUZGCEMZSA-N -1 0 517.788 6.295 40 30 KKEBRM C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408759276 1071702519 /nfs/dbraw/zinc/70/25/19/1071702519.db2.gz BEVDKEHFJFDYMX-HZHRSRAPSA-N -1 0 534.410 5.396 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408766211 1071720208 /nfs/dbraw/zinc/72/02/08/1071720208.db2.gz AEWGNYQXVHILHG-MFKUBSTISA-N -1 0 559.460 6.348 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000408764718 1071726942 /nfs/dbraw/zinc/72/69/42/1071726942.db2.gz YCQKEJGZQCCTEA-UUYOSTAYSA-N -1 0 538.467 6.372 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408764023 1071729570 /nfs/dbraw/zinc/72/95/70/1071729570.db2.gz VPCLKJJYCZKKCY-MTJSOVHGSA-N -1 0 524.440 6.063 40 30 KKEBRM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)ccc1Br ZINC000408762127 1071736865 /nfs/dbraw/zinc/73/68/65/1071736865.db2.gz CWKJRSNCVZKOCN-RGVLZGJSSA-N -1 0 642.247 5.479 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408762996 1071733747 /nfs/dbraw/zinc/73/37/47/1071733747.db2.gz GSDYMVSPZKBERJ-WPWMEQJKSA-N -1 0 611.492 6.893 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408776969 1071747508 /nfs/dbraw/zinc/74/75/08/1071747508.db2.gz TYJLOKLYVKVEPG-HZHRSRAPSA-N -1 0 551.824 6.076 40 30 KKEBRM C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408776182 1071751474 /nfs/dbraw/zinc/75/14/74/1071751474.db2.gz UWNPDFYGHLIWCE-BMZLMQSUSA-N -1 0 544.673 6.253 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408775917 1071753087 /nfs/dbraw/zinc/75/30/87/1071753087.db2.gz WSDPPTCZOSREEH-MTDXEUNCSA-N -1 0 567.041 6.866 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCc1cccc(C(=O)[O-])c1 ZINC000409281263 1071752234 /nfs/dbraw/zinc/75/22/34/1071752234.db2.gz LXEKPSUUWPYIRD-UHFFFAOYSA-N -1 0 550.409 5.450 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408776404 1071749516 /nfs/dbraw/zinc/74/95/16/1071749516.db2.gz NUZNLRSVEUVWSX-FSJBWODESA-N -1 0 574.431 5.582 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409281352 1071754111 /nfs/dbraw/zinc/75/41/11/1071754111.db2.gz LGQBVXHSWQZRTE-UHFFFAOYSA-N -1 0 683.471 7.039 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OCc4cccc(C(=O)[O-])c4)c3)cc21 ZINC000409281124 1071755149 /nfs/dbraw/zinc/75/51/49/1071755149.db2.gz CPHUCQBQHBDJJH-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408775415 1071755183 /nfs/dbraw/zinc/75/51/83/1071755183.db2.gz GOADIVZXXRKWEC-FYJGNVAPSA-N -1 0 586.269 6.730 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409281233 1071756680 /nfs/dbraw/zinc/75/66/80/1071756680.db2.gz MBIXTFUYADDIBR-UHFFFAOYSA-N -1 0 687.550 8.139 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409034486 1071760778 /nfs/dbraw/zinc/76/07/78/1071760778.db2.gz HQXXGGSKRDSZJR-UHFFFAOYSA-N -1 0 544.648 6.237 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc([N+](=O)[O-])c3[O-])cc21 ZINC000409280707 1071762553 /nfs/dbraw/zinc/76/25/53/1071762553.db2.gz BYMOXOZYFWMECM-UHFFFAOYSA-N -1 0 535.310 5.077 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br)C(=O)[O-] ZINC000409281033 1071758241 /nfs/dbraw/zinc/75/82/41/1071758241.db2.gz KEAZFLXAUOOUCP-CQSZACIVSA-N -1 0 560.326 5.579 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=C3\SC(=Nc4ccc(Br)c(Cl)c4)NC3=O)cc2)c1 ZINC000408774559 1071760078 /nfs/dbraw/zinc/76/00/78/1071760078.db2.gz WJYZXGRPEJRINR-NHDPSOOVSA-N -1 0 543.826 6.271 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(OCC(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409280854 1071760126 /nfs/dbraw/zinc/76/01/26/1071760126.db2.gz LETJFNGJUWZPPX-UHFFFAOYSA-N -1 0 592.696 6.647 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409280776 1071763586 /nfs/dbraw/zinc/76/35/86/1071763586.db2.gz CAOGJZFDIBAYHP-SFHVURJKSA-N -1 0 544.564 5.146 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2OCc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000409280791 1071763638 /nfs/dbraw/zinc/76/36/38/1071763638.db2.gz JWQFFAAXQWCLAA-UHFFFAOYSA-N -1 0 685.531 7.334 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1C(C)C ZINC000409280809 1071764098 /nfs/dbraw/zinc/76/40/98/1071764098.db2.gz CCWXDIDIVBFCLN-UHFFFAOYSA-N -1 0 644.555 8.360 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409280385 1071767378 /nfs/dbraw/zinc/76/73/78/1071767378.db2.gz JCCYTHQKSWFRMR-ZDUSSCGKSA-N -1 0 642.288 5.194 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000409280272 1071769971 /nfs/dbraw/zinc/76/99/71/1071769971.db2.gz JXRCMSMHSJFOEC-UHFFFAOYSA-N -1 0 627.539 7.023 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408772339 1071773976 /nfs/dbraw/zinc/77/39/76/1071773976.db2.gz KSLULOFSYHXVCI-WSDLNYQXSA-N -1 0 515.953 5.164 40 30 KKEBRM C[C@H](Oc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409279981 1071775206 /nfs/dbraw/zinc/77/52/06/1071775206.db2.gz IDXULURYEPOLPA-ZDUSSCGKSA-N -1 0 601.240 6.613 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408770909 1071783805 /nfs/dbraw/zinc/78/38/05/1071783805.db2.gz CHOPGMOZZSHFQA-PCLIKHOPSA-N -1 0 592.433 5.882 40 30 KKEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1I)C(=O)[O-] ZINC000409279593 1071783945 /nfs/dbraw/zinc/78/39/45/1071783945.db2.gz HMNKYJWIWLYAFW-CQSZACIVSA-N -1 0 658.246 5.911 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409279252 1071787645 /nfs/dbraw/zinc/78/76/45/1071787645.db2.gz GNAPBXUGFCLNHA-UHFFFAOYSA-N -1 0 516.557 6.106 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408769641 1071792279 /nfs/dbraw/zinc/79/22/79/1071792279.db2.gz YBXGJRSIISBPDY-HZHRSRAPSA-N -1 0 516.981 5.631 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409279009 1071793071 /nfs/dbraw/zinc/79/30/71/1071793071.db2.gz HKTUHNWSIMFWAT-QGZVFWFLSA-N -1 0 602.441 6.043 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409278645 1071797562 /nfs/dbraw/zinc/79/75/62/1071797562.db2.gz FGIBYXLTPKRHAC-UHFFFAOYSA-N -1 0 627.539 7.023 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409278260 1071805990 /nfs/dbraw/zinc/80/59/90/1071805990.db2.gz FFLRTDSDTFALMJ-ZDUSSCGKSA-N -1 0 581.261 5.178 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408768199 1071804028 /nfs/dbraw/zinc/80/40/28/1071804028.db2.gz UUGDDNHBMCJZND-LPYMAVHISA-N -1 0 596.821 5.985 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409278121 1071808317 /nfs/dbraw/zinc/80/83/17/1071808317.db2.gz DIIZUKSULGAODW-UHFFFAOYSA-N -1 0 646.130 5.552 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)cc1C(C)C ZINC000409277806 1071813332 /nfs/dbraw/zinc/81/33/32/1071813332.db2.gz CBUAOJCHHFORAR-UHFFFAOYSA-N -1 0 548.643 6.492 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277652 1071815604 /nfs/dbraw/zinc/81/56/04/1071815604.db2.gz CFPZJXDVZIVSOJ-UHFFFAOYSA-N -1 0 599.643 7.096 40 30 KKEBRM O=C([O-])c1cccc(COc2cccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)c2)c1 ZINC000409277493 1071818536 /nfs/dbraw/zinc/81/85/36/1071818536.db2.gz APRGKTSFZUVTIH-UHFFFAOYSA-N -1 0 549.970 6.623 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC000409277527 1071818990 /nfs/dbraw/zinc/81/89/90/1071818990.db2.gz AUTJKXGSHXFZMW-UHFFFAOYSA-N -1 0 669.444 6.648 40 30 KKEBRM C=CCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000409046375 1071832003 /nfs/dbraw/zinc/83/20/03/1071832003.db2.gz KIMRDTAIPKHVRO-UHFFFAOYSA-N -1 0 621.366 6.547 40 30 KKEBRM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(I)c([O-])c(I)c1 ZINC000409293607 1071833024 /nfs/dbraw/zinc/83/30/24/1071833024.db2.gz ZBSFOAJZHKZZSW-UHFFFAOYSA-N -1 0 661.159 5.879 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409293487 1071836881 /nfs/dbraw/zinc/83/68/81/1071836881.db2.gz ILAURXYYXYSBLQ-UHFFFAOYSA-N -1 0 570.827 5.543 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409293243 1071837958 /nfs/dbraw/zinc/83/79/58/1071837958.db2.gz JTXRAODWMHLRJN-GOSISDBHSA-N -1 0 523.545 5.281 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409045630 1071838984 /nfs/dbraw/zinc/83/89/84/1071838984.db2.gz ZWYIUPLSQNHLPG-WUXMJOGZSA-N -1 0 575.040 5.750 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409293333 1071839650 /nfs/dbraw/zinc/83/96/50/1071839650.db2.gz HRLWTFWOHYUSFY-UHFFFAOYSA-N -1 0 676.305 5.884 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)cc1C(C)C ZINC000409292648 1071848551 /nfs/dbraw/zinc/84/85/51/1071848551.db2.gz HUBVVCGZFCSCIW-UHFFFAOYSA-N -1 0 575.665 7.053 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1O[C@@H](C)C(=O)[O-] ZINC000409292884 1071847430 /nfs/dbraw/zinc/84/74/30/1071847430.db2.gz IORDEEKVSXYECH-AWEZNQCLSA-N -1 0 552.370 5.859 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409292771 1071850465 /nfs/dbraw/zinc/85/04/65/1071850465.db2.gz VHTIXGLFQCJSTP-UHFFFAOYSA-N -1 0 570.827 5.679 40 30 KKEBRM O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)cc2[N+](=O)[O-])c1 ZINC000409292530 1071851544 /nfs/dbraw/zinc/85/15/44/1071851544.db2.gz GZNLUXRCBGRUIT-UHFFFAOYSA-N -1 0 629.412 7.184 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408785601 1071855725 /nfs/dbraw/zinc/85/57/25/1071855725.db2.gz HYWKZIIZSOLWIM-SRZZPIQSSA-N -1 0 580.822 5.618 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000409291624 1071868965 /nfs/dbraw/zinc/86/89/65/1071868965.db2.gz QLWBAPAPZDMOCT-UHFFFAOYSA-N -1 0 539.729 5.722 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408797073 1071877487 /nfs/dbraw/zinc/87/74/87/1071877487.db2.gz RAICGUKZYVZNBX-LGUMZPBXSA-N -1 0 620.468 6.955 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c([O-])c(Br)c2)cc1C(C)C ZINC000409291398 1071876388 /nfs/dbraw/zinc/87/63/88/1071876388.db2.gz CIDOONSVHLNJCG-UHFFFAOYSA-N -1 0 599.323 7.007 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409291494 1071872101 /nfs/dbraw/zinc/87/21/01/1071872101.db2.gz CUTJWZYDFBFBEQ-UHFFFAOYSA-N -1 0 610.022 6.640 40 30 KKEBRM O=C([O-])c1cccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)c3ccccc32)c1 ZINC000409291526 1071872790 /nfs/dbraw/zinc/87/27/90/1071872790.db2.gz QBVCUOHUCAUPFP-UHFFFAOYSA-N -1 0 538.563 6.393 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2I)cc1 ZINC000409042047 1071874448 /nfs/dbraw/zinc/87/44/48/1071874448.db2.gz BCNRMRVFWLLKCF-SBXMUCCLSA-N -1 0 643.091 6.045 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000409291179 1071883533 /nfs/dbraw/zinc/88/35/33/1071883533.db2.gz CFDANSQSXUVHEA-GOSISDBHSA-N -1 0 572.017 6.324 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408794909 1071883713 /nfs/dbraw/zinc/88/37/13/1071883713.db2.gz UBTMVUTZDGRLET-PZHIHXKYSA-N -1 0 555.659 7.743 40 30 KKEBRM CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409291248 1071878689 /nfs/dbraw/zinc/87/86/89/1071878689.db2.gz XEERNTDERDCHDV-UHFFFAOYSA-N -1 0 554.828 6.095 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409291280 1071879819 /nfs/dbraw/zinc/87/98/19/1071879819.db2.gz AJTJPHJKCJEGRS-IBGZPJMESA-N -1 0 622.516 6.399 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409291281 1071879929 /nfs/dbraw/zinc/87/99/29/1071879929.db2.gz AJTJPHJKCJEGRS-LJQANCHMSA-N -1 0 622.516 6.399 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc([O-])c([N+](=O)[O-])c1 ZINC000409041266 1071881077 /nfs/dbraw/zinc/88/10/77/1071881077.db2.gz ZYUJLGVFHGYFFE-UHFFFAOYSA-N -1 0 514.622 6.229 40 30 KKEBRM Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408793912 1071885767 /nfs/dbraw/zinc/88/57/67/1071885767.db2.gz GPXZQGRPUKMFCZ-RJRBAZHUSA-N -1 0 571.440 5.939 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408793164 1071887104 /nfs/dbraw/zinc/88/71/04/1071887104.db2.gz NQKHVEVQEILYOW-DIENZIEHSA-N -1 0 592.298 7.267 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)cc1C(C)C ZINC000409290768 1071887195 /nfs/dbraw/zinc/88/71/95/1071887195.db2.gz NDTWXSFYCGOWLQ-UHFFFAOYSA-N -1 0 611.698 7.817 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408792797 1071887767 /nfs/dbraw/zinc/88/77/67/1071887767.db2.gz CPHXYFVDEMTOLF-SLOBHAQXSA-N -1 0 659.458 6.109 40 30 KKEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408791317 1071890482 /nfs/dbraw/zinc/89/04/82/1071890482.db2.gz VZLJGPYGKOTTRB-XMMPIXPASA-N -1 0 560.400 5.468 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409290705 1071891337 /nfs/dbraw/zinc/89/13/37/1071891337.db2.gz MVHLFXIWYHPGBJ-UHFFFAOYSA-N -1 0 618.528 6.743 40 30 KKEBRM CN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408788960 1071896692 /nfs/dbraw/zinc/89/66/92/1071896692.db2.gz GSIXAUKVTYRYJB-NAVDEFSMSA-N -1 0 517.610 6.775 40 30 KKEBRM O=C([O-])c1ccc(COc2cccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)c2)cc1 ZINC000409290453 1071897826 /nfs/dbraw/zinc/89/78/26/1071897826.db2.gz TTZAEXDDSSGYEZ-UHFFFAOYSA-N -1 0 515.525 5.969 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409290254 1071899347 /nfs/dbraw/zinc/89/93/47/1071899347.db2.gz KOZCLCCURSBYLG-UHFFFAOYSA-N -1 0 564.436 5.841 40 30 KKEBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408788337 1071899621 /nfs/dbraw/zinc/89/96/21/1071899621.db2.gz DXCHBQPNYFPXJP-KEBDBYFISA-N -1 0 613.795 5.070 40 30 KKEBRM CN1C(=O)/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408787688 1071900132 /nfs/dbraw/zinc/90/01/32/1071900132.db2.gz DTOVQNGVSCERFA-NAVDEFSMSA-N -1 0 517.610 6.775 40 30 KKEBRM CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408787607 1071900830 /nfs/dbraw/zinc/90/08/30/1071900830.db2.gz COWIUXIOMABYLS-RUZDIDTESA-N -1 0 604.453 5.866 40 30 KKEBRM C[C@@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I)C(=O)[O-] ZINC000409290082 1071901548 /nfs/dbraw/zinc/90/15/48/1071901548.db2.gz JYISYCCHKDLYQW-CQSZACIVSA-N -1 0 671.273 5.388 40 30 KKEBRM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409039141 1071901870 /nfs/dbraw/zinc/90/18/70/1071901870.db2.gz QOWDIVCAIWBJFU-UHFFFAOYSA-N -1 0 581.345 6.249 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c3Br)cc21 ZINC000409289600 1071907895 /nfs/dbraw/zinc/90/78/95/1071907895.db2.gz HFZQULXUZGRZKS-CQSZACIVSA-N -1 0 671.298 6.086 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289435 1071910086 /nfs/dbraw/zinc/91/00/86/1071910086.db2.gz MSYALKXZAZPIPD-UHFFFAOYSA-N -1 0 594.462 5.633 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409289442 1071910632 /nfs/dbraw/zinc/91/06/32/1071910632.db2.gz MVHXGLYGRQFYJU-UHFFFAOYSA-N -1 0 629.305 6.213 40 30 KKEBRM COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409289406 1071914995 /nfs/dbraw/zinc/91/49/95/1071914995.db2.gz MKKSWVYONQNEGY-UHFFFAOYSA-N -1 0 573.527 6.250 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409288929 1071921927 /nfs/dbraw/zinc/92/19/27/1071921927.db2.gz CVWFWWIZGRVAFZ-GOSISDBHSA-N -1 0 608.489 6.009 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OC(C)C ZINC000409056252 1071923679 /nfs/dbraw/zinc/92/36/79/1071923679.db2.gz GGHFJBSYTVCVOF-GQKMNLJRSA-N -1 0 533.444 5.957 40 30 KKEBRM C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409288664 1071927132 /nfs/dbraw/zinc/92/71/32/1071927132.db2.gz BFIVNWMHIDYHAE-ZDUSSCGKSA-N -1 0 560.872 5.378 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OCC)cc2C)ccc1O[C@@H](C)C(=O)[O-] ZINC000409288388 1071932230 /nfs/dbraw/zinc/93/22/30/1071932230.db2.gz GVIYIXDQIGTUBF-NRFANRHFSA-N -1 0 557.647 6.027 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409288156 1071933141 /nfs/dbraw/zinc/93/31/41/1071933141.db2.gz DHLHSPKESVCKJY-UHFFFAOYSA-N -1 0 584.854 5.933 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 ZINC000409288223 1071933578 /nfs/dbraw/zinc/93/35/78/1071933578.db2.gz DYQOPXPCQOBWTC-UHFFFAOYSA-N -1 0 622.943 6.803 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409287974 1071934540 /nfs/dbraw/zinc/93/45/40/1071934540.db2.gz BJTHDRTWNNENGJ-UHFFFAOYSA-N -1 0 557.448 6.040 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)c3ccccc32)cc1 ZINC000409287847 1071937188 /nfs/dbraw/zinc/93/71/88/1071937188.db2.gz ZXCCEWGXVVINPO-UHFFFAOYSA-N -1 0 538.563 6.393 40 30 KKEBRM CCCCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC ZINC000409051637 1071950284 /nfs/dbraw/zinc/95/02/84/1071950284.db2.gz DKXSVNSJFTZUNM-LETHEXBRSA-N -1 0 533.444 5.959 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409296764 1071955795 /nfs/dbraw/zinc/95/57/95/1071955795.db2.gz RIQDHWCHCFZUJC-KRWDZBQOSA-N -1 0 579.009 5.800 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c3Br)cc21 ZINC000409296488 1071960477 /nfs/dbraw/zinc/96/04/77/1071960477.db2.gz INFRMUWPNRDDDJ-AWEZNQCLSA-N -1 0 626.847 5.977 40 30 KKEBRM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000409296464 1071960539 /nfs/dbraw/zinc/96/05/39/1071960539.db2.gz IJCXXJZYVWMWMQ-UHFFFAOYSA-N -1 0 533.260 5.341 40 30 KKEBRM O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000409296324 1071962508 /nfs/dbraw/zinc/96/25/08/1071962508.db2.gz SXUZJNOFJZTNKQ-UHFFFAOYSA-N -1 0 584.180 5.831 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br)C(=O)[O-] ZINC000409296345 1071963012 /nfs/dbraw/zinc/96/30/12/1071963012.db2.gz SZQONMYGNDSQNY-HNNXBMFYSA-N -1 0 532.350 5.306 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1O[C@@H](C)C(=O)[O-] ZINC000409296130 1071969079 /nfs/dbraw/zinc/96/90/79/1071969079.db2.gz SHLUGBODNYTJFG-AWEZNQCLSA-N -1 0 637.352 5.430 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000409295665 1071976147 /nfs/dbraw/zinc/97/61/47/1071976147.db2.gz OWNCKINVNPLVOL-UHFFFAOYSA-N -1 0 526.549 5.512 40 30 KKEBRM Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409295564 1071979241 /nfs/dbraw/zinc/97/92/41/1071979241.db2.gz FCXLXFBZFVJOPA-UHFFFAOYSA-N -1 0 571.771 5.188 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409294847 1071986731 /nfs/dbraw/zinc/98/67/31/1071986731.db2.gz PLHJTERQLUMAFO-UHFFFAOYSA-N -1 0 590.548 5.886 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(OCC(=O)[O-])ccc4ccccc43)cc21 ZINC000409294932 1071988354 /nfs/dbraw/zinc/98/83/54/1071988354.db2.gz PSWXNBUXOYYVGM-UHFFFAOYSA-N -1 0 519.513 5.317 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Cl)ccc4o3)c3ccccc32)cc1 ZINC000409294704 1071989382 /nfs/dbraw/zinc/98/93/82/1071989382.db2.gz BKPORJMKNACOKP-UHFFFAOYSA-N -1 0 573.008 7.047 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409294705 1071989495 /nfs/dbraw/zinc/98/94/95/1071989495.db2.gz BKSMXNNXZDRKMZ-UHFFFAOYSA-N -1 0 638.474 7.130 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(OCC(=O)[O-])ccc3ccccc32)cc1C(C)C ZINC000409294561 1071992030 /nfs/dbraw/zinc/99/20/30/1071992030.db2.gz AYGGDDPDPFPBSA-UHFFFAOYSA-N -1 0 535.600 6.003 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409067236 1071996880 /nfs/dbraw/zinc/99/68/80/1071996880.db2.gz PVMMRAIIKKKSJY-PXLXIMEGSA-N -1 0 534.971 5.852 40 30 KKEBRM Cc1ccc(COc2c(Cl)cc(Cl)cc2C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409066448 1071994799 /nfs/dbraw/zinc/99/47/99/1071994799.db2.gz LFINAHFMDRPDPY-UHFFFAOYSA-N -1 0 554.470 6.769 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2I)cc1 ZINC000409065057 1071995896 /nfs/dbraw/zinc/99/58/96/1071995896.db2.gz FXFQSAXPRRWHEY-LUOAPIJWSA-N -1 0 585.276 5.941 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409065105 1071996000 /nfs/dbraw/zinc/99/60/00/1071996000.db2.gz HKNRCYNAMIMIKV-VUTHCHCSSA-N -1 0 562.622 6.221 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409066651 1072000824 /nfs/dbraw/zinc/00/08/24/1072000824.db2.gz BDBFPNBIPLPKEL-HYARGMPZSA-N -1 0 551.426 6.366 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(O[C@H](C)C(=O)[O-])ccc3ccccc32)cc1C(C)C ZINC000409307173 1072002969 /nfs/dbraw/zinc/00/29/69/1072002969.db2.gz RLIIYNJDHZTNSN-JOCHJYFZSA-N -1 0 563.654 6.781 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067031 1071999051 /nfs/dbraw/zinc/99/90/51/1071999051.db2.gz NKOULHCEMDNMEB-UHFFFAOYSA-N -1 0 678.985 6.157 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409294140 1072000151 /nfs/dbraw/zinc/00/01/51/1072000151.db2.gz NSZVVXFOVGMJDS-INIZCTEOSA-N -1 0 531.952 5.596 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066815 1072000357 /nfs/dbraw/zinc/00/03/57/1072000357.db2.gz BNXXFUOCMNYNQW-OEAKJJBVSA-N -1 0 520.944 5.462 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)C2=C1CCCC2=O ZINC000409065843 1072006730 /nfs/dbraw/zinc/00/67/30/1072006730.db2.gz NUCVECMVSFPIBF-UHFFFAOYSA-N -1 0 647.335 6.818 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409065619 1072007260 /nfs/dbraw/zinc/00/72/60/1072007260.db2.gz IDIKSKILZIZVFJ-OEAKJJBVSA-N -1 0 534.971 5.852 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc(F)c2)cc1 ZINC000409065720 1072007692 /nfs/dbraw/zinc/00/76/92/1072007692.db2.gz JCAZZPAUVIXAFS-UHFFFAOYSA-N -1 0 545.651 6.565 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065705 1072007729 /nfs/dbraw/zinc/00/77/29/1072007729.db2.gz KOVNWPJURQVIRA-UHFFFAOYSA-N -1 0 514.574 5.829 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409065732 1072007980 /nfs/dbraw/zinc/00/79/80/1072007980.db2.gz JHNBSSPHYZWFKS-FSJBWODESA-N -1 0 599.898 7.328 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409307243 1072004301 /nfs/dbraw/zinc/00/43/01/1072004301.db2.gz UESHCEIXDNQEFV-UHFFFAOYSA-N -1 0 669.370 7.137 40 30 KKEBRM O=C([O-])c1cccc(COc2cccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)c2)c1 ZINC000409307042 1072004981 /nfs/dbraw/zinc/00/49/81/1072004981.db2.gz SVKVRSPSUWMDFU-UHFFFAOYSA-N -1 0 594.421 6.732 40 30 KKEBRM C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409307056 1072005422 /nfs/dbraw/zinc/00/54/22/1072005422.db2.gz SWEPENQQLSOLSM-CQSZACIVSA-N -1 0 577.347 5.215 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409065602 1072009593 /nfs/dbraw/zinc/00/95/93/1072009593.db2.gz JOYPCWCQTKMFJD-CIAFOILYSA-N -1 0 585.871 6.938 40 30 KKEBRM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-] ZINC000409064447 1072016042 /nfs/dbraw/zinc/01/60/42/1072016042.db2.gz HDEHYHIVIBHTBZ-UHFFFAOYSA-N -1 0 636.583 6.849 40 30 KKEBRM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000409064324 1072015063 /nfs/dbraw/zinc/01/50/63/1072015063.db2.gz COFAHWAUYKWCGX-UHFFFAOYSA-N -1 0 584.894 6.570 40 30 KKEBRM CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O ZINC000409065234 1072010932 /nfs/dbraw/zinc/01/09/32/1072010932.db2.gz GYWCZLWCGVNFJO-UHFFFAOYSA-N -1 0 615.318 6.532 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c2)cc1C(C)C ZINC000409306628 1072011716 /nfs/dbraw/zinc/01/17/16/1072011716.db2.gz PSFDICVZKJAVQQ-LJQANCHMSA-N -1 0 578.065 6.290 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1 ZINC000409064829 1072012771 /nfs/dbraw/zinc/01/27/71/1072012771.db2.gz GQDDKGVMTWUHQS-UHFFFAOYSA-N -1 0 550.051 6.206 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409306448 1072013146 /nfs/dbraw/zinc/01/31/46/1072013146.db2.gz PHPFDONXVVNTHM-UHFFFAOYSA-N -1 0 658.892 7.394 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409064183 1072016473 /nfs/dbraw/zinc/01/64/73/1072016473.db2.gz CBLOECYBODJHJD-UHFFFAOYSA-N -1 0 598.117 5.878 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409063422 1072022231 /nfs/dbraw/zinc/02/22/31/1072022231.db2.gz BNVDBYOGSQYOIO-HZHRSRAPSA-N -1 0 576.005 5.929 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCC(=O)[O-] ZINC000409063964 1072018281 /nfs/dbraw/zinc/01/82/81/1072018281.db2.gz ATCGBOLEYMJYLB-UHFFFAOYSA-N -1 0 521.654 5.593 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000409064007 1072019022 /nfs/dbraw/zinc/01/90/22/1072019022.db2.gz FRIDCTVJADGEFJ-UHFFFAOYSA-N -1 0 562.106 7.079 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409305807 1072019907 /nfs/dbraw/zinc/01/99/07/1072019907.db2.gz XLGUYGRNHDJUPG-UHFFFAOYSA-N -1 0 599.279 6.033 40 30 KKEBRM C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br)C(=O)[O-] ZINC000409305820 1072020197 /nfs/dbraw/zinc/02/01/97/1072020197.db2.gz OMKWRGAONGAAMI-AWEZNQCLSA-N -1 0 577.273 5.703 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1 ZINC000409063406 1072021713 /nfs/dbraw/zinc/02/17/13/1072021713.db2.gz BGNQFFWJSLHUGZ-UHFFFAOYSA-N -1 0 645.465 5.906 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Cl)c1 ZINC000409305579 1072024204 /nfs/dbraw/zinc/02/42/04/1072024204.db2.gz WAMGDKQJRKFITC-UHFFFAOYSA-N -1 0 594.893 7.020 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000409305419 1072025683 /nfs/dbraw/zinc/02/56/83/1072025683.db2.gz NFMONPJGTSREOM-SFHVURJKSA-N -1 0 565.468 5.598 40 30 KKEBRM Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000409305413 1072025696 /nfs/dbraw/zinc/02/56/96/1072025696.db2.gz NFMONPJGTSREOM-GOSISDBHSA-N -1 0 565.468 5.598 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409305442 1072025907 /nfs/dbraw/zinc/02/59/07/1072025907.db2.gz NCZKDOROCRSCLD-UHFFFAOYSA-N -1 0 717.370 7.893 40 30 KKEBRM O=C([O-])c1ccc(-n2cccc2C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409305492 1072026761 /nfs/dbraw/zinc/02/67/61/1072026761.db2.gz NAABIQBFTAZUBW-UHFFFAOYSA-N -1 0 502.452 5.453 40 30 KKEBRM CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409061888 1072026992 /nfs/dbraw/zinc/02/69/92/1072026992.db2.gz JPYNPCYDSDXGFS-AQDZEODZSA-N -1 0 547.847 7.158 40 30 KKEBRM CCCCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(CC)C1=O ZINC000409061503 1072029337 /nfs/dbraw/zinc/02/93/37/1072029337.db2.gz DOMCGQZQINZFCB-SQJAOTTLSA-N -1 0 503.418 5.950 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409305154 1072029368 /nfs/dbraw/zinc/02/93/68/1072029368.db2.gz LZQWVMVQNJPFDX-UHFFFAOYSA-N -1 0 540.801 5.534 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(I)c2)cc1C(C)C ZINC000409304662 1072034889 /nfs/dbraw/zinc/03/48/89/1072034889.db2.gz KKRPVCBDQNUWIM-UHFFFAOYSA-N -1 0 687.534 7.268 40 30 KKEBRM CCCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC ZINC000409060660 1072032391 /nfs/dbraw/zinc/03/23/91/1072032391.db2.gz SJSDLQCCBIGTRF-MKMXVRELSA-N -1 0 519.417 5.569 40 30 KKEBRM CCCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC ZINC000409060539 1072033312 /nfs/dbraw/zinc/03/33/12/1072033312.db2.gz XCVOLEPSMGEPDX-PUCVJYRNSA-N -1 0 552.390 5.021 40 30 KKEBRM O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000409304525 1072037006 /nfs/dbraw/zinc/03/70/06/1072037006.db2.gz LKTKHODYZLBSSY-UHFFFAOYSA-N -1 0 505.210 5.557 40 30 KKEBRM O=C([O-])COc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409304398 1072039604 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COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409304209 1072041169 /nfs/dbraw/zinc/04/11/69/1072041169.db2.gz JHWDTWSBYIRVGV-UHFFFAOYSA-N -1 0 624.919 7.028 40 30 KKEBRM CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409077006 1072042827 /nfs/dbraw/zinc/04/28/27/1072042827.db2.gz CHENQPHOCPFRAY-NDENLUEZSA-N -1 0 522.351 5.470 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409076597 1072048285 /nfs/dbraw/zinc/04/82/85/1072048285.db2.gz AXSRPPWSGMKCLD-VQURDZQPSA-N -1 0 566.723 8.179 40 30 KKEBRM Cc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000409303980 1072045785 /nfs/dbraw/zinc/04/57/85/1072045785.db2.gz IUCZTPQGYDRUOF-UHFFFAOYSA-N -1 0 529.394 5.359 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076691 1072049481 /nfs/dbraw/zinc/04/94/81/1072049481.db2.gz BUCUJLSTZAMKQJ-CIAFOILYSA-N 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CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Cl)c1Br ZINC000409314632 1072142430 /nfs/dbraw/zinc/14/24/30/1072142430.db2.gz GHNFUXBXVXLURR-LLVKDONJSA-N -1 0 601.679 5.443 40 30 KKEBRM COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078743 1072143545 /nfs/dbraw/zinc/14/35/45/1072143545.db2.gz JNQRCFNSAZWQAO-UHFFFAOYSA-N -1 0 703.442 5.797 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c2C(=O)NCc2ccco2)C1 ZINC000409078360 1072145298 /nfs/dbraw/zinc/14/52/98/1072145298.db2.gz BTSRFHRRWZBEMD-IMJZNTEBSA-N -1 0 565.091 7.784 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000409313849 1072147855 /nfs/dbraw/zinc/14/78/55/1072147855.db2.gz DKTHYKDOJUZREX-VQIMIIECSA-N -1 0 565.468 5.814 40 30 KKEBRM C[C@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409313665 1072151553 /nfs/dbraw/zinc/15/15/53/1072151553.db2.gz PBIBEGDHYNKJNT-AWEZNQCLSA-N -1 0 532.822 5.594 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087151 1072158780 /nfs/dbraw/zinc/15/87/80/1072158780.db2.gz GNTRFWDSLXVZLA-OEAKJJBVSA-N -1 0 586.557 5.706 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000409312587 1072160035 /nfs/dbraw/zinc/16/00/35/1072160035.db2.gz MKLCXDWUXLRSBO-UHFFFAOYSA-N -1 0 508.372 5.650 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC000409312389 1072160636 /nfs/dbraw/zinc/16/06/36/1072160636.db2.gz LESLZAXPGQQZDF-ZDUSSCGKSA-N -1 0 674.184 6.159 40 30 KKEBRM COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1O[C@@H](C)C(=O)[O-] ZINC000409312847 1072156636 /nfs/dbraw/zinc/15/66/36/1072156636.db2.gz MVIKOIOTWHRZJR-AWEZNQCLSA-N -1 0 607.299 5.712 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409086674 1072162747 /nfs/dbraw/zinc/16/27/47/1072162747.db2.gz RMBRPKYOFNRXBU-HXTCXDMZSA-N -1 0 672.417 10.003 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409312025 1072166173 /nfs/dbraw/zinc/16/61/73/1072166173.db2.gz JINNIUQDONPQQZ-UHFFFAOYSA-N -1 0 543.421 5.695 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC000409311337 1072171688 /nfs/dbraw/zinc/17/16/88/1072171688.db2.gz ZIJCARDEPSHBLN-CYBMUJFWSA-N -1 0 581.261 5.007 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCC(=O)[O-] ZINC000409311077 1072175236 /nfs/dbraw/zinc/17/52/36/1072175236.db2.gz DILQNGOKBDRVDK-UHFFFAOYSA-N -1 0 640.272 5.166 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1 ZINC000409085298 1072181067 /nfs/dbraw/zinc/18/10/67/1072181067.db2.gz ZEQCNUKNEZMLRZ-UHFFFAOYSA-N -1 0 606.159 7.478 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409310078 1072185958 /nfs/dbraw/zinc/18/59/58/1072185958.db2.gz PXWJDEJDEHDGEI-UHFFFAOYSA-N -1 0 613.306 6.424 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@H](C)C(=O)[O-])c2ccccc12 ZINC000409310135 1072186434 /nfs/dbraw/zinc/18/64/34/1072186434.db2.gz QVYOVLLHRWHIPH-MRXNPFEDSA-N -1 0 509.404 5.293 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409309945 1072187335 /nfs/dbraw/zinc/18/73/35/1072187335.db2.gz OIWMDSXFMIAOIP-NEPJUHHUSA-N -1 0 585.680 5.823 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409309740 1072188302 /nfs/dbraw/zinc/18/83/02/1072188302.db2.gz LWTBEQVDLJDDOE-UHFFFAOYSA-N -1 0 683.397 7.527 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-] ZINC000409084518 1072188601 /nfs/dbraw/zinc/18/86/01/1072188601.db2.gz XKYQZNQJFMKMQH-UHFFFAOYSA-N -1 0 557.687 6.435 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])c2C(=O)NCc2ccco2)C1 ZINC000409084547 1072189107 /nfs/dbraw/zinc/18/91/07/1072189107.db2.gz WTQYEOVUYJSAFB-SMAZRQGKSA-N -1 0 560.470 6.549 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000409309686 1072190900 /nfs/dbraw/zinc/19/09/00/1072190900.db2.gz KXJCOCDHTGGOCA-MRXNPFEDSA-N -1 0 568.855 6.485 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409309167 1072194571 /nfs/dbraw/zinc/19/45/71/1072194571.db2.gz CMQZSJZUVYLPRU-IBGZPJMESA-N -1 0 584.470 6.985 40 30 KKEBRM CCCN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409082698 1072207136 /nfs/dbraw/zinc/20/71/36/1072207136.db2.gz SJPOSFSVMKDWAM-WVAULHCUSA-N -1 0 530.669 6.585 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083248 1072203780 /nfs/dbraw/zinc/20/37/80/1072203780.db2.gz NVQOLIPRZZGGOA-CPNJWEJPSA-N -1 0 592.948 5.742 40 30 KKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1[O-] ZINC000409082743 1072207487 /nfs/dbraw/zinc/20/74/87/1072207487.db2.gz QXGZCIAOTXYDFY-HVAQTUQNSA-N -1 0 507.612 6.524 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc([O-])c(Br)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409082420 1072210500 /nfs/dbraw/zinc/21/05/00/1072210500.db2.gz PXHRPNDOBRUWBO-BRQOLZEGSA-N -1 0 545.930 8.024 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409308005 1072211494 /nfs/dbraw/zinc/21/14/94/1072211494.db2.gz VWHVREYATYSCAQ-UHFFFAOYSA-N -1 0 605.445 6.274 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])c2C(=O)Nc2ccccc2)C1 ZINC000409081888 1072218353 /nfs/dbraw/zinc/21/83/53/1072218353.db2.gz QQEGMGZKRRIKGE-FKSSYULRSA-N -1 0 522.583 6.424 40 30 KKEBRM C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081550 1072221191 /nfs/dbraw/zinc/22/11/91/1072221191.db2.gz PXGOSRIMZWIZQU-UHFFFAOYSA-N -1 0 673.719 7.193 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc2n1[C@H](C)C(=O)[O-] ZINC000409307460 1072221900 /nfs/dbraw/zinc/22/19/00/1072221900.db2.gz UYXCSVOQZBDFML-QGZVFWFLSA-N -1 0 518.495 5.873 40 30 KKEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081392 1072222646 /nfs/dbraw/zinc/22/26/46/1072222646.db2.gz OABNOVSYSKZXKN-KGENOOAVSA-N -1 0 581.503 6.200 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409316886 1072226314 /nfs/dbraw/zinc/22/63/14/1072226314.db2.gz NOUKJLDHFMNPBL-KRWDZBQOSA-N -1 0 564.436 5.841 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2Br)c1 ZINC000409096969 1072231235 /nfs/dbraw/zinc/23/12/35/1072231235.db2.gz LSAHUCVZUGVTBP-LUOAPIJWSA-N -1 0 538.276 6.099 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000409316274 1072233702 /nfs/dbraw/zinc/23/37/02/1072233702.db2.gz LKGANOKTSQHYTR-ZDUSSCGKSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409316118 1072234769 /nfs/dbraw/zinc/23/47/69/1072234769.db2.gz LAHPOELSJBVPAL-UHFFFAOYSA-N -1 0 565.380 5.179 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409315619 1072238390 /nfs/dbraw/zinc/23/83/90/1072238390.db2.gz JJFUHUSDTCXIKD-UHFFFAOYSA-N -1 0 579.407 5.569 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409326815 1072243614 /nfs/dbraw/zinc/24/36/14/1072243614.db2.gz OQGKFTYNOHWAPT-INIZCTEOSA-N -1 0 643.332 6.603 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1 ZINC000409326733 1072244963 /nfs/dbraw/zinc/24/49/63/1072244963.db2.gz NKMFAGCBUKUKPF-VXGBXAGGSA-N -1 0 724.131 5.616 40 30 KKEBRM O=C([O-])COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000409093228 1072254271 /nfs/dbraw/zinc/25/42/71/1072254271.db2.gz YGJBFAQAAUYKLS-WSCLTDIXSA-N -1 0 537.435 5.585 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)[O-])ccc2ccccc21 ZINC000409326066 1072252204 /nfs/dbraw/zinc/25/22/04/1072252204.db2.gz GGVQCGVTOBZFDY-UHFFFAOYSA-N -1 0 508.372 5.000 40 30 KKEBRM Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc2n1[C@H](C)C(=O)[O-] ZINC000409325525 1072256071 /nfs/dbraw/zinc/25/60/71/1072256071.db2.gz ZOPLFYMHCXHWLV-QGZVFWFLSA-N -1 0 535.442 5.998 40 30 KKEBRM CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)C1=O ZINC000409092982 1072257392 /nfs/dbraw/zinc/25/73/92/1072257392.db2.gz XGEVVFLITMEJQD-MTJSOVHGSA-N -1 0 604.475 5.083 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000409324977 1072260665 /nfs/dbraw/zinc/26/06/65/1072260665.db2.gz VSBSIHQSFDHIEH-UHFFFAOYSA-N -1 0 646.279 5.876 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000409324978 1072260705 /nfs/dbraw/zinc/26/07/05/1072260705.db2.gz WJOWDGFIGFTFEX-LLVKDONJSA-N -1 0 527.202 5.152 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)cc2Cl)cc1 ZINC000409324280 1072267785 /nfs/dbraw/zinc/26/77/85/1072267785.db2.gz RVTYMVVEJQUQAJ-UHFFFAOYSA-N -1 0 594.893 7.020 40 30 KKEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091804 1072267817 /nfs/dbraw/zinc/26/78/17/1072267817.db2.gz RWBHUQCOHDTNDT-UHFFFAOYSA-N -1 0 658.491 7.372 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409324747 1072263816 /nfs/dbraw/zinc/26/38/16/1072263816.db2.gz UWOYZGZRPSOBDM-UHFFFAOYSA-N -1 0 730.397 7.369 40 30 KKEBRM N#Cc1ccc(COc2ccc(Cl)cc2/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000409092003 1072267099 /nfs/dbraw/zinc/26/70/99/1072267099.db2.gz WVHCLJFMKIFNHR-WSDLNYQXSA-N -1 0 506.992 5.895 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC000409323653 1072272836 /nfs/dbraw/zinc/27/28/36/1072272836.db2.gz OVICLSCLKGGDBB-UHFFFAOYSA-N -1 0 646.279 5.876 40 30 KKEBRM C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091034 1072274124 /nfs/dbraw/zinc/27/41/24/1072274124.db2.gz OOYVHQWKTFBMSG-UHFFFAOYSA-N -1 0 640.611 7.031 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409323890 1072269113 /nfs/dbraw/zinc/26/91/13/1072269113.db2.gz QBBHTWJABZGDHJ-SFHVURJKSA-N -1 0 557.448 6.256 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000409324028 1072270487 /nfs/dbraw/zinc/27/04/87/1072270487.db2.gz QUEQPLFJLUAKDW-OAHLLOKOSA-N -1 0 647.751 7.248 40 30 KKEBRM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409090966 1072276650 /nfs/dbraw/zinc/27/66/50/1072276650.db2.gz OBAOBJIDJMPFEA-UHFFFAOYSA-N -1 0 656.654 7.575 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409090788 1072277372 /nfs/dbraw/zinc/27/73/72/1072277372.db2.gz QEJJTNWDWOAMIC-BDBFOOTBSA-N -1 0 585.479 7.535 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409322543 1072283077 /nfs/dbraw/zinc/28/30/77/1072283077.db2.gz KHPJFPPVILOZOJ-UHFFFAOYSA-N -1 0 565.380 5.179 40 30 KKEBRM CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(I)cc(I)c3[O-])c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409089916 1072285739 /nfs/dbraw/zinc/28/57/39/1072285739.db2.gz NNYCQGNLFYEYRW-YJDIGNJUSA-N -1 0 718.826 8.470 40 30 KKEBRM COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc(I)c1OCC(=O)[O-] ZINC000409089741 1072286268 /nfs/dbraw/zinc/28/62/68/1072286268.db2.gz JZRKNFPWWXKMJR-FOMZIIOSSA-N -1 0 646.547 6.979 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409322048 1072286688 /nfs/dbraw/zinc/28/66/88/1072286688.db2.gz IQNZVHXMRBYEPT-UHFFFAOYSA-N -1 0 571.475 6.393 40 30 KKEBRM CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c([O-])c([N+](=O)[O-])c3)c2C(=O)NCc2ccco2)C1 ZINC000409089186 1072291784 /nfs/dbraw/zinc/29/17/84/1072291784.db2.gz HUIRUUXCLJCTKD-GMUGERAYSA-N -1 0 560.470 6.549 40 30 KKEBRM C=CCc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409088596 1072296706 /nfs/dbraw/zinc/29/67/06/1072296706.db2.gz FRCNNXPQIQOZHM-WKOFIUSOSA-N -1 0 604.728 7.374 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409088128 1072300544 /nfs/dbraw/zinc/30/05/44/1072300544.db2.gz DJZUFHVJAYAFOV-AHXPITADSA-N -1 0 664.375 8.297 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br ZINC000409319816 1072306160 /nfs/dbraw/zinc/30/61/60/1072306160.db2.gz MGGGVPOPIGJSIB-NEPJUHHUSA-N -1 0 660.157 5.940 40 30 KKEBRM O=C([O-])COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000409319047 1072315400 /nfs/dbraw/zinc/31/54/00/1072315400.db2.gz ZMSCMWUFHIEJST-UHFFFAOYSA-N -1 0 563.792 5.114 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000409318019 1072323951 /nfs/dbraw/zinc/32/39/51/1072323951.db2.gz UHNFKYLNJYRQNG-GOSISDBHSA-N -1 0 571.475 6.564 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 ZINC000409317780 1072324582 /nfs/dbraw/zinc/32/45/82/1072324582.db2.gz VQJWZPUSRAFJPV-UHFFFAOYSA-N -1 0 550.409 5.280 40 30 KKEBRM CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)[O-])c3)NC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000409336641 1072328858 /nfs/dbraw/zinc/32/88/58/1072328858.db2.gz OPHOICSRIXSNAT-ZMFRSBBQSA-N -1 0 551.064 6.833 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc(Br)cc1 ZINC000409336574 1072331330 /nfs/dbraw/zinc/33/13/30/1072331330.db2.gz PTKZSALZKRZKLB-XRSHBMEUSA-N -1 0 544.496 6.259 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000409336404 1072331729 /nfs/dbraw/zinc/33/17/29/1072331729.db2.gz SBUVCDZPONJSCZ-UHFFFAOYSA-N -1 0 643.332 6.432 40 30 KKEBRM N=C1SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C([O-])=C1c1nccs1 ZINC000409336226 1072332594 /nfs/dbraw/zinc/33/25/94/1072332594.db2.gz MQBLBJKFPAQPKD-RBTZALBQSA-N -1 0 644.297 6.349 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21 ZINC000409335860 1072336835 /nfs/dbraw/zinc/33/68/35/1072336835.db2.gz PLKILILEFUZDBU-UHFFFAOYSA-N -1 0 570.443 6.424 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C3CCCCC3)o2)ccc1Cl ZINC000409335432 1072338053 /nfs/dbraw/zinc/33/80/53/1072338053.db2.gz WWPNVILZYITDEG-UHFFFAOYSA-N -1 0 554.828 6.701 40 30 KKEBRM N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)c(Br)c2)C([O-])=C1c1nccs1 ZINC000409335514 1072338594 /nfs/dbraw/zinc/33/85/94/1072338594.db2.gz JFTMPLHCBGBCNW-KWQJMZPGSA-N -1 0 521.461 7.056 40 30 KKEBRM CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409334717 1072343537 /nfs/dbraw/zinc/34/35/37/1072343537.db2.gz IEOCXZMIOFWIGE-BGSLBXMQSA-N -1 0 534.490 6.803 40 30 KKEBRM N=C1SC(=Cc2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C([O-])=C1c1nccs1 ZINC000409333913 1072350234 /nfs/dbraw/zinc/35/02/34/1072350234.db2.gz FWMPACGNTZWCEY-CUJWHMTGSA-N -1 0 694.357 7.502 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC000409334472 1072345856 /nfs/dbraw/zinc/34/58/56/1072345856.db2.gz LZAQFLZBYWTRJH-OAHLLOKOSA-N -1 0 677.777 7.256 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(Cl)c1Br ZINC000409334471 1072345901 /nfs/dbraw/zinc/34/59/01/1072345901.db2.gz LZAQFLZBYWTRJH-HNNXBMFYSA-N -1 0 677.777 7.256 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409333352 1072354990 /nfs/dbraw/zinc/35/49/90/1072354990.db2.gz OOGRHWSKSDKECO-UHFFFAOYSA-N -1 0 534.410 5.661 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409332028 1072365486 /nfs/dbraw/zinc/36/54/86/1072365486.db2.gz JHQSARWHKKPISE-QWHCGFSZSA-N -1 0 674.184 6.330 40 30 KKEBRM COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCc1cccc(C(=O)[O-])c1 ZINC000409331153 1072372341 /nfs/dbraw/zinc/37/23/41/1072372341.db2.gz FGKFOJFLXOPARB-UHFFFAOYSA-N -1 0 624.919 7.028 40 30 KKEBRM CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409331248 1072370796 /nfs/dbraw/zinc/37/07/96/1072370796.db2.gz DMUJWENTUADEMP-WQNUKSJVSA-N -1 0 619.482 6.349 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409328153 1072394670 /nfs/dbraw/zinc/39/46/70/1072394670.db2.gz ZTCWVQYPYNZMQS-UHFFFAOYSA-N -1 0 690.332 6.274 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)[O-])c2C)c1C ZINC000409328045 1072396022 /nfs/dbraw/zinc/39/60/22/1072396022.db2.gz YIAYXPHXLDSNCA-OAHLLOKOSA-N -1 0 535.442 5.969 40 30 KKEBRM CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409108555 1072405779 /nfs/dbraw/zinc/40/57/79/1072405779.db2.gz VEOZMRWTVGYTPL-VPUKRXIYSA-N -1 0 585.320 5.827 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000409336739 1072406963 /nfs/dbraw/zinc/40/69/63/1072406963.db2.gz UKBBPHAJKSCNSA-UHFFFAOYSA-N -1 0 598.881 6.323 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000409336879 1072408129 /nfs/dbraw/zinc/40/81/29/1072408129.db2.gz VCWPTVOJTMBOMU-SFHVURJKSA-N -1 0 571.475 6.564 40 30 KKEBRM C=CCc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409108147 1072409089 /nfs/dbraw/zinc/40/90/89/1072409089.db2.gz VGSDQRCXXZZIHB-CIAFOILYSA-N -1 0 552.501 6.376 40 30 KKEBRM C=CCc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409339039 1072480297 /nfs/dbraw/zinc/48/02/97/1072480297.db2.gz DOCHDJBDGUBWJK-KQWNVCNZSA-N -1 0 536.700 6.001 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409134748 1072489979 /nfs/dbraw/zinc/48/99/79/1072489979.db2.gz XLUGTTFFPVCAAM-WPWMEQJKSA-N -1 0 663.565 6.615 40 30 KKEBRM COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc(Br)cc(Br)c2[O-])ccc1O ZINC000409337760 1072490409 /nfs/dbraw/zinc/49/04/09/1072490409.db2.gz USRDAWOSOSWDSZ-OPEKNORGSA-N -1 0 531.204 6.005 40 30 KKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)SC2=N)s1 ZINC000409337651 1072492133 /nfs/dbraw/zinc/49/21/33/1072492133.db2.gz XCNULNKQJGMGIC-MMCLFOEQSA-N -1 0 673.339 6.307 40 30 KKEBRM Cc1ccc(-c2oc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409366665 1072573779 /nfs/dbraw/zinc/57/37/79/1072573779.db2.gz UHEZAKBUGWWESX-IPPBACCNSA-N -1 0 516.351 7.229 40 30 KKEBRM C=CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000409364381 1072584563 /nfs/dbraw/zinc/58/45/63/1072584563.db2.gz WRDAWJRPVITGRB-UHFFFAOYSA-N -1 0 523.467 5.633 40 30 KKEBRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409358884 1072617310 /nfs/dbraw/zinc/61/73/10/1072617310.db2.gz LWSCCRVJEMHIFC-UHFFFAOYSA-N -1 0 513.373 5.069 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409372130 1072647042 /nfs/dbraw/zinc/64/70/42/1072647042.db2.gz CRDVOKSTVPCWIK-SRZZPIQSSA-N -1 0 541.387 5.565 40 30 KKEBRM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386620 1072686103 /nfs/dbraw/zinc/68/61/03/1072686103.db2.gz VVJCPVNQYREECP-QNQJOHRQSA-N -1 0 526.570 6.374 40 30 KKEBRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000409385786 1072692057 /nfs/dbraw/zinc/69/20/57/1072692057.db2.gz KGWOCTIZUVLWDD-WOJBJXKFSA-N -1 0 587.400 5.338 40 30 KKEBRM COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)cc2)cc1 ZINC000409385577 1072692548 /nfs/dbraw/zinc/69/25/48/1072692548.db2.gz LLZONDHMKFLXOU-OCSSWDANSA-N -1 0 500.620 7.284 40 30 KKEBRM Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384626 1072696500 /nfs/dbraw/zinc/69/65/00/1072696500.db2.gz DXGACNYNIGNKNS-MSXFZWOLSA-N -1 0 504.393 6.088 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409382734 1072705108 /nfs/dbraw/zinc/70/51/08/1072705108.db2.gz OFMKFMKIAIQBAQ-YZSQISJMSA-N -1 0 544.648 5.926 40 30 KKEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409173270 1072728598 /nfs/dbraw/zinc/72/85/98/1072728598.db2.gz OLHPSQAFEGKAHG-SSDVNMTOSA-N -1 0 722.298 6.281 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC000409404431 1072766934 /nfs/dbraw/zinc/76/69/34/1072766934.db2.gz LKBYGJBTGLRTEW-UHFFFAOYSA-N -1 0 564.554 5.530 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409403922 1072768227 /nfs/dbraw/zinc/76/82/27/1072768227.db2.gz NOJLZLYNUVDYCG-AWEZNQCLSA-N -1 0 556.800 5.222 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403905 1072768268 /nfs/dbraw/zinc/76/82/68/1072768268.db2.gz JKKSAFAZJKXAMM-UHFFFAOYSA-N -1 0 632.898 7.038 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1O ZINC000409402465 1072775857 /nfs/dbraw/zinc/77/58/57/1072775857.db2.gz FHPYVLBHOIPBEH-UHFFFAOYSA-N -1 0 543.215 5.575 40 30 KKEBRM O=C([O-])c1cccc(COc2c(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cccc2[N+](=O)[O-])c1 ZINC000409402276 1072777613 /nfs/dbraw/zinc/77/76/13/1072777613.db2.gz DQFBWQWWZWTKRO-UHFFFAOYSA-N -1 0 520.501 5.131 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000409408719 1072813829 /nfs/dbraw/zinc/81/38/29/1072813829.db2.gz ZEPFDQDKRYBMDD-UHFFFAOYSA-N -1 0 554.946 5.785 40 30 KKEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409194542 1072841685 /nfs/dbraw/zinc/84/16/85/1072841685.db2.gz OYJPQJNQUCYJIR-DEDYPNTBSA-N -1 0 543.016 5.153 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OCCC ZINC000409193082 1072850762 /nfs/dbraw/zinc/85/07/62/1072850762.db2.gz HTQPNZHOBTXOGB-JJIBRWJFSA-N -1 0 550.652 5.452 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409190893 1072865610 /nfs/dbraw/zinc/86/56/10/1072865610.db2.gz AURPNKUEOKCTPK-WPWMEQJKSA-N -1 0 629.666 5.760 40 30 KKEBRM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Br ZINC000409187895 1072884745 /nfs/dbraw/zinc/88/47/45/1072884745.db2.gz COSJZGNIZHYXNI-WOJGMQOQSA-N -1 0 622.310 5.626 40 30 KKEBRM Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1Cl ZINC000409200139 1072923180 /nfs/dbraw/zinc/92/31/80/1072923180.db2.gz GYLZFOFCAAWDJZ-KBKYJPHKSA-N -1 0 537.635 7.201 40 30 KKEBRM O=C([O-])c1ccc(COc2c(Br)cc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Br)cc1 ZINC000409199803 1072923800 /nfs/dbraw/zinc/92/38/00/1072923800.db2.gz DYMQAEXUCHSMPO-OKCVXOCRSA-N -1 0 581.260 8.032 40 30 KKEBRM Cc1ccc(C)c(/N=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)c1 ZINC000409199974 1072923877 /nfs/dbraw/zinc/92/38/77/1072923877.db2.gz GCYHLCYLVMPSOC-RPPGKUMJSA-N -1 0 517.217 6.856 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC001531114837 1072934621 /nfs/dbraw/zinc/93/46/21/1072934621.db2.gz TWHAHAFWTOGDAS-CNCDYAKUSA-N -1 0 657.359 6.777 40 30 KKEBRM CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409208035 1072939969 /nfs/dbraw/zinc/93/99/69/1072939969.db2.gz FBATYJIJCNEXQV-UVHMKAGCSA-N -1 0 549.792 6.680 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531142559 1072942730 /nfs/dbraw/zinc/94/27/30/1072942730.db2.gz CGODGBLCLTYJQC-CPDSRJINSA-N -1 0 609.433 5.533 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531142653 1072943244 /nfs/dbraw/zinc/94/32/44/1072943244.db2.gz MPQOBWYEHABDDG-TXKPYDHESA-N -1 0 660.157 5.724 40 30 KKEBRM COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCC(=O)[O-] ZINC001531144803 1072943590 /nfs/dbraw/zinc/94/35/90/1072943590.db2.gz MEFYMMYXZWGPET-WMDMUMDLSA-N -1 0 646.130 5.336 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531147002 1072944993 /nfs/dbraw/zinc/94/49/93/1072944993.db2.gz ZZDYUUSGXSRNOM-NUJZUDFISA-N -1 0 579.407 5.524 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(I)c(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531150741 1072946511 /nfs/dbraw/zinc/94/65/11/1072946511.db2.gz JXZVTCRDXGHKJK-AAPHRLRXSA-N -1 0 786.202 6.825 40 30 KKEBRM CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)N1C(C)C ZINC000409216423 1072946542 /nfs/dbraw/zinc/94/65/42/1072946542.db2.gz IDGHRLBUHXRAKY-XDTDMHIPSA-N -1 0 564.445 5.658 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531170377 1072954043 /nfs/dbraw/zinc/95/40/43/1072954043.db2.gz OAIRDRGMZREYJY-CPDSRJINSA-N -1 0 568.855 6.269 40 30 KKEBRM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409213482 1072955593 /nfs/dbraw/zinc/95/55/93/1072955593.db2.gz WAEDSTLGSLIMAZ-ZOEMGVRESA-N -1 0 560.679 7.120 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c([O-])c(Br)c1 ZINC001531180538 1072957899 /nfs/dbraw/zinc/95/78/99/1072957899.db2.gz ROIFUFGWUQYQSZ-AQHIEDMUSA-N -1 0 513.617 5.460 40 30 KKEBRM CCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000409211928 1072960593 /nfs/dbraw/zinc/96/05/93/1072960593.db2.gz OQZGANZMNLASEJ-VULFUBBASA-N -1 0 531.346 5.726 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC001531195416 1072962051 /nfs/dbraw/zinc/96/20/51/1072962051.db2.gz ACMPGQBDRHWBKE-CNCDYAKUSA-N -1 0 657.359 6.777 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCc2cccc(C(=O)[O-])c2)c(I)c1 ZINC001531203685 1072965639 /nfs/dbraw/zinc/96/56/39/1072965639.db2.gz BICQAXZSCLTJQR-CPDSRJINSA-N -1 0 660.306 6.221 40 30 KKEBRM CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001531205229 1072966212 /nfs/dbraw/zinc/96/62/12/1072966212.db2.gz FJPOFUCJMVSVLU-YNFMAFFXSA-N -1 0 658.303 6.287 40 30 KKEBRM CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCC(=O)[O-] ZINC001531209960 1072968212 /nfs/dbraw/zinc/96/82/12/1072968212.db2.gz HBUNQCZUKDUKAP-NCAUGAEKSA-N -1 0 660.157 5.726 40 30 KKEBRM CN(C)c1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001531215061 1072969771 /nfs/dbraw/zinc/96/97/71/1072969771.db2.gz ZLUKZRYSSUGVIK-ACXHZZMFSA-N -1 0 577.479 5.682 40 30 KKEBRM Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC001531224034 1072972746 /nfs/dbraw/zinc/97/27/46/1072972746.db2.gz LCPMBCTYXSRWEG-MUXKCCDJSA-N -1 0 521.415 5.444 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1 ZINC001531224954 1072973651 /nfs/dbraw/zinc/97/36/51/1072973651.db2.gz GAWDQRKHWGFCTG-IBBHUPRXSA-N -1 0 690.332 6.274 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC001531225041 1072974149 /nfs/dbraw/zinc/97/41/49/1072974149.db2.gz IIBDYQMGDVYXRY-HIWRWHBISA-N -1 0 677.777 7.086 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001531229767 1072978474 /nfs/dbraw/zinc/97/84/74/1072978474.db2.gz DYBMUSONNKDMBM-ZXWLHBBBSA-N -1 0 506.784 5.060 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001531238356 1072992336 /nfs/dbraw/zinc/99/23/36/1072992336.db2.gz IQGNBOPPJUQGMM-RTHFECFVSA-N -1 0 598.881 6.494 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531244909 1072999078 /nfs/dbraw/zinc/99/90/78/1072999078.db2.gz BRULFBYRJZSZCW-WKULSOCRSA-N -1 0 579.407 5.569 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1 ZINC001531245216 1073002681 /nfs/dbraw/zinc/00/26/81/1073002681.db2.gz WWONRRODVGDQOL-OKCVXOCRSA-N -1 0 563.452 5.337 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531249477 1073005184 /nfs/dbraw/zinc/00/51/84/1073005184.db2.gz MXWPFQRGTWEZHR-RTHFECFVSA-N -1 0 643.332 6.603 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C ZINC001531256493 1073013526 /nfs/dbraw/zinc/01/35/26/1073013526.db2.gz DFSPDQVIGZHULP-BRQOLZEGSA-N -1 0 551.441 5.426 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C ZINC001531256494 1073013558 /nfs/dbraw/zinc/01/35/58/1073013558.db2.gz DFSPDQVIGZHULP-ZJIVOUCISA-N -1 0 551.441 5.426 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531263209 1073020602 /nfs/dbraw/zinc/02/06/02/1073020602.db2.gz POFQTNKVMOLACR-IBBHUPRXSA-N -1 0 643.332 6.432 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001531263371 1073020730 /nfs/dbraw/zinc/02/07/30/1073020730.db2.gz PTYCPWZMIQKSRJ-WCMJOSRZSA-N -1 0 557.448 6.003 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531264659 1073022551 /nfs/dbraw/zinc/02/25/51/1073022551.db2.gz CMCILPJCEOFNGZ-VFLNYLIXSA-N -1 0 599.825 5.833 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001531264741 1073022701 /nfs/dbraw/zinc/02/27/01/1073022701.db2.gz DQDWTNVHJJIHBQ-AMVVHIIESA-N -1 0 613.852 6.223 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1 ZINC001531264801 1073023095 /nfs/dbraw/zinc/02/30/95/1073023095.db2.gz GLHGAVHWNZLOEQ-WKULSOCRSA-N -1 0 579.407 5.569 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC001531268655 1073028216 /nfs/dbraw/zinc/02/82/16/1073028216.db2.gz TUIXCKHETIBRBR-XHARTHDMSA-N -1 0 630.131 5.932 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531268662 1073028761 /nfs/dbraw/zinc/02/87/61/1073028761.db2.gz UHRKAIWQAXEBPF-HWFREFBRSA-N -1 0 612.908 6.884 40 30 KKEBRM CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409236525 1073038404 /nfs/dbraw/zinc/03/84/04/1073038404.db2.gz SPBTYGKYUDCNIR-WLZRAQTASA-N -1 0 632.451 6.340 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 ZINC001531285460 1073054226 /nfs/dbraw/zinc/05/42/26/1073054226.db2.gz YLVWCFWKZOGANK-UBGHKXEESA-N -1 0 623.460 6.139 40 30 KKEBRM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409233132 1073057408 /nfs/dbraw/zinc/05/74/08/1073057408.db2.gz QSGMEXRGGPLWKM-YDZHTSKRSA-N -1 0 557.455 6.869 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC001531289746 1073057574 /nfs/dbraw/zinc/05/75/74/1073057574.db2.gz VZZGWUFKPRWAML-VCEHOBFASA-N -1 0 646.130 5.379 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531292038 1073062625 /nfs/dbraw/zinc/06/26/25/1073062625.db2.gz FQNXMDKWGNTXFH-DLDHGHKKSA-N -1 0 571.653 5.262 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-] ZINC001531292533 1073064019 /nfs/dbraw/zinc/06/40/19/1073064019.db2.gz STHKOIKCKVHBNI-DLDHGHKKSA-N -1 0 571.653 5.262 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br ZINC001531296599 1073066760 /nfs/dbraw/zinc/06/67/60/1073066760.db2.gz MGGGVPOPIGJSIB-CYUPIBCISA-N -1 0 660.157 5.940 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1 ZINC001531296781 1073067982 /nfs/dbraw/zinc/06/79/82/1073067982.db2.gz VWXMBCVCGGLGMA-BNWUJJENSA-N -1 0 658.303 6.503 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC001531297213 1073070446 /nfs/dbraw/zinc/07/04/46/1073070446.db2.gz OZBCCECHZVJYJX-SUZBBLJPSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001531297254 1073071217 /nfs/dbraw/zinc/07/12/17/1073071217.db2.gz UIPUEMGKEDTXCM-FJEPWZHXSA-N -1 0 568.855 6.314 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001531304684 1073083234 /nfs/dbraw/zinc/08/32/34/1073083234.db2.gz PWYCFNZFVIMRNF-DLDHGHKKSA-N -1 0 616.104 5.371 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001531309988 1073086301 /nfs/dbraw/zinc/08/63/01/1073086301.db2.gz GXNWMDFZTMKKPS-SSAQJZBFSA-N -1 0 536.810 5.069 40 30 KKEBRM CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)c1C ZINC001531310467 1073088178 /nfs/dbraw/zinc/08/81/78/1073088178.db2.gz WMRQKHBETUJOQI-ZBQQXIERSA-N -1 0 627.539 7.239 40 30 KKEBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409243956 1073090662 /nfs/dbraw/zinc/09/06/62/1073090662.db2.gz ZPAQCCVHOVSDGB-STBIYBPSSA-N -1 0 560.679 5.993 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br ZINC001531318266 1073093848 /nfs/dbraw/zinc/09/38/48/1073093848.db2.gz BJFDUGBSELQMDK-SUZBBLJPSA-N -1 0 581.261 5.007 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(OCC)c1 ZINC001531319267 1073097491 /nfs/dbraw/zinc/09/74/91/1073097491.db2.gz MMAZXBUCCHNSKD-KPGMTVGESA-N -1 0 657.359 6.822 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001531325231 1073098934 /nfs/dbraw/zinc/09/89/34/1073098934.db2.gz AONSGPICYJAVDZ-IJTYQOOWSA-N -1 0 596.232 5.077 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001531326265 1073102525 /nfs/dbraw/zinc/10/25/25/1073102525.db2.gz DATDYGLPIPFKKD-XAZZYMPDSA-N -1 0 692.202 7.186 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@H](C)C(=O)[O-])c2ccccc12 ZINC001531326516 1073103991 /nfs/dbraw/zinc/10/39/91/1073103991.db2.gz MAEYZYQXRJAUKI-IJUDYLMQSA-N -1 0 509.404 5.463 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC001531326623 1073106073 /nfs/dbraw/zinc/10/60/73/1073106073.db2.gz PMBSPGZBKLDACO-IBQIHENBSA-N -1 0 556.457 5.534 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1O[C@H](C)C(=O)[O-] ZINC001531326618 1073106134 /nfs/dbraw/zinc/10/61/34/1073106134.db2.gz PMBSPGZBKLDACO-BPWJOAAZSA-N -1 0 556.457 5.534 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C ZINC001531329459 1073112766 /nfs/dbraw/zinc/11/27/66/1073112766.db2.gz VHUSOMQONBGRSS-SMZKAPSWSA-N -1 0 627.539 7.239 40 30 KKEBRM CCN1C(=O)/C(=C\c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)S/C1=N/c1ccc(F)cc1 ZINC000409239086 1073115969 /nfs/dbraw/zinc/11/59/69/1073115969.db2.gz BSJZCLLVKMUYGF-DDTAAGGZSA-N -1 0 506.555 5.735 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCC(=O)[O-] ZINC001531333657 1073119810 /nfs/dbraw/zinc/11/98/10/1073119810.db2.gz ZTQXGKZPDDMCEJ-RCMPGLAHSA-N -1 0 628.261 5.021 40 30 KKEBRM C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1 ZINC001531339298 1073123560 /nfs/dbraw/zinc/12/35/60/1073123560.db2.gz COSRLHHRWZMLSE-DPNNOFEESA-N -1 0 604.501 6.398 40 30 KKEBRM CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC001531340436 1073126581 /nfs/dbraw/zinc/12/65/81/1073126581.db2.gz AAOQHYDTQKWGIS-RDYICOSNSA-N -1 0 551.441 5.253 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001531340478 1073126904 /nfs/dbraw/zinc/12/69/04/1073126904.db2.gz BACIAHQJLXBNJM-VLCQYKRPSA-N -1 0 594.462 5.849 40 30 KKEBRM CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1Br ZINC001531342957 1073133544 /nfs/dbraw/zinc/13/35/44/1073133544.db2.gz UDGWJVCCLHUZKG-SAHOEIGMSA-N -1 0 677.777 7.256 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c([O-])c(I)c1 ZINC001531347226 1073135908 /nfs/dbraw/zinc/13/59/08/1073135908.db2.gz VUDAPJSNNPGZRA-AUEPDCJTSA-N -1 0 652.068 5.299 40 30 KKEBRM CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001531347609 1073139077 /nfs/dbraw/zinc/13/90/77/1073139077.db2.gz OOGRHWSKSDKECO-MUFRIFMGSA-N -1 0 534.410 5.661 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531347656 1073139517 /nfs/dbraw/zinc/13/95/17/1073139517.db2.gz RITBLNVBDXQKNT-VTKCVZDWSA-N -1 0 691.804 7.647 40 30 KKEBRM CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC001531351053 1073141376 /nfs/dbraw/zinc/14/13/76/1073141376.db2.gz JHQSARWHKKPISE-MGFGFNOVSA-N -1 0 674.184 6.330 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409248613 1073146982 /nfs/dbraw/zinc/14/69/82/1073146982.db2.gz HJRRFGMNQOLLHW-JELSIQHMSA-N -1 0 646.478 6.730 40 30 KKEBRM C=CCc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC001531383153 1073150217 /nfs/dbraw/zinc/15/02/17/1073150217.db2.gz CGXNHIHUFKLOJK-XICOUIIWSA-N -1 0 559.622 6.350 40 30 KKEBRM O=C([O-])c1cccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)c1 ZINC001531383602 1073152994 /nfs/dbraw/zinc/15/29/94/1073152994.db2.gz NWKPOLWFMYOMFX-KBVAKVRCSA-N -1 0 554.400 5.985 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)cc2Br)cc1 ZINC001531384077 1073156339 /nfs/dbraw/zinc/15/63/39/1073156339.db2.gz UMWCJXCGPDLBPW-KBVAKVRCSA-N -1 0 554.400 5.985 40 30 KKEBRM C=C(C)/C=C/C[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@](C)(CCC(=O)[O-])[C@@H](C(=C)C)CC[C@]12C ZINC001534688754 1073173286 /nfs/dbraw/zinc/17/32/86/1073173286.db2.gz KISITYOUWLWLNJ-RZRWMILUSA-N -1 0 618.852 5.388 40 30 KKEBRM CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)[O-])cn2)CC1CC ZINC001560403756 1073193479 /nfs/dbraw/zinc/19/34/79/1073193479.db2.gz PDGNFQUXQWHMOR-SANMLTNESA-N -1 0 721.597 8.833 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1C(C)C ZINC000409276292 1073291420 /nfs/dbraw/zinc/29/14/20/1073291420.db2.gz PHBNDVJEWMMATB-UHFFFAOYSA-N -1 0 535.600 6.734 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O[C@H](C)C(=O)[O-])c(I)c2)cc1C(C)C ZINC000409274431 1073310453 /nfs/dbraw/zinc/31/04/53/1073310453.db2.gz CZDJBRQOUHVKPC-GOSISDBHSA-N -1 0 625.463 5.843 40 30 KKEBRM CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000409287030 1073340011 /nfs/dbraw/zinc/34/00/11/1073340011.db2.gz RWZUATXWIJLPNS-UHFFFAOYSA-N -1 0 507.388 5.018 40 30 KKEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000409286759 1073343860 /nfs/dbraw/zinc/34/38/60/1073343860.db2.gz ZPGKXTUJDBOPJJ-AWEZNQCLSA-N -1 0 532.896 5.105 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409286797 1073344206 /nfs/dbraw/zinc/34/42/06/1073344206.db2.gz ZXNAJAOUNWVVLE-UHFFFAOYSA-N -1 0 624.447 6.740 40 30 KKEBRM C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OCC)cc3C)nc3ccccc3c2=O)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409286795 1073344220 /nfs/dbraw/zinc/34/42/20/1073344220.db2.gz QTZPSGIJYRQPCC-JOCHJYFZSA-N -1 0 583.685 6.365 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCC(=O)[O-] ZINC000409286546 1073344621 /nfs/dbraw/zinc/34/46/21/1073344621.db2.gz WMVGOZYJWYVCNC-UHFFFAOYSA-N -1 0 564.038 5.902 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)cc1C(C)C ZINC000409286257 1073348053 /nfs/dbraw/zinc/34/80/53/1073348053.db2.gz YKIWGPMFDNBXNM-UHFFFAOYSA-N -1 0 813.430 7.873 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2O[C@H](C)C(=O)[O-])cc1C(C)C ZINC000409285950 1073351157 /nfs/dbraw/zinc/35/11/57/1073351157.db2.gz YAZFKVVLGOMGRY-HXUWFJFHSA-N -1 0 513.594 5.628 40 30 KKEBRM O=C([O-])c1cccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)o2)c1 ZINC000409285718 1073354691 /nfs/dbraw/zinc/35/46/91/1073354691.db2.gz WVKAHTTXMRQCNF-UHFFFAOYSA-N -1 0 554.356 6.413 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1[O-] ZINC000409285562 1073355948 /nfs/dbraw/zinc/35/59/48/1073355948.db2.gz WDDYLRNZWPQSRA-UHFFFAOYSA-N -1 0 549.337 5.467 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1C(C)C ZINC000409285483 1073357910 /nfs/dbraw/zinc/35/79/10/1073357910.db2.gz OAZKSZOBAMVNDS-UHFFFAOYSA-N -1 0 717.560 7.277 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@@H](C)C(=O)[O-])c(Br)c3)cc21 ZINC000409285057 1073360043 /nfs/dbraw/zinc/36/00/43/1073360043.db2.gz MQRJHTSXWYHFKO-HNNXBMFYSA-N -1 0 562.376 5.315 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409284630 1073364791 /nfs/dbraw/zinc/36/47/91/1073364791.db2.gz LXYVREWERNYNAK-UHFFFAOYSA-N -1 0 677.777 7.040 40 30 KKEBRM COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409284703 1073365706 /nfs/dbraw/zinc/36/57/06/1073365706.db2.gz VJURHXFYAFTDBT-CYBMUJFWSA-N -1 0 720.168 6.840 40 30 KKEBRM CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)cc1C(C)C ZINC000409284285 1073370703 /nfs/dbraw/zinc/37/07/03/1073370703.db2.gz TWTPJFGYBICXNN-UHFFFAOYSA-N -1 0 644.555 8.360 40 30 KKEBRM C[C@H](Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1I)C(=O)[O-] ZINC000409283974 1073373690 /nfs/dbraw/zinc/37/36/90/1073373690.db2.gz RTTNVDDQONLBKU-ZDUSSCGKSA-N -1 0 784.142 6.516 40 30 KKEBRM C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000409283584 1073378646 /nfs/dbraw/zinc/37/86/46/1073378646.db2.gz RAXHNSPUBOARKU-INIZCTEOSA-N -1 0 556.457 5.318 40 30 KKEBRM C[C@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)C(=O)[O-] ZINC000409283186 1073380806 /nfs/dbraw/zinc/38/08/06/1073380806.db2.gz RFWLLUOZOIJXTJ-AWEZNQCLSA-N -1 0 566.795 5.960 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4cc(Br)ccc4o3)o2)cc1Cl ZINC000409283270 1073381960 /nfs/dbraw/zinc/38/19/60/1073381960.db2.gz OVVSTOOFECYPLO-UHFFFAOYSA-N -1 0 588.801 7.066 40 30 KKEBRM CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409283115 1073383247 /nfs/dbraw/zinc/38/32/47/1073383247.db2.gz QCZCCFGTJZCULB-HNNXBMFYSA-N -1 0 610.848 6.358 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)cc21 ZINC000409282892 1073384390 /nfs/dbraw/zinc/38/43/90/1073384390.db2.gz HUPKJXNEZZEARJ-UHFFFAOYSA-N -1 0 545.551 5.978 40 30 KKEBRM COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(Br)c2O[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000409282898 1073384394 /nfs/dbraw/zinc/38/43/94/1073384394.db2.gz PKWFHJOZLHXYAO-KRWDZBQOSA-N -1 0 612.908 6.654 40 30 KKEBRM CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409282735 1073385842 /nfs/dbraw/zinc/38/58/42/1073385842.db2.gz QGORJVXVNIOQIO-JTQLQIEISA-N -1 0 632.103 5.125 40 30 KKEBRM COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OC)c3OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000409281885 1073396064 /nfs/dbraw/zinc/39/60/64/1073396064.db2.gz NIGUWUDZTFHDEW-UHFFFAOYSA-N -1 0 575.577 5.986 40 30 KKEBRM O=C([O-])c1cc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cccc(C(F)(F)F)c3)o2)ccc1Cl ZINC000409281423 1073401659 /nfs/dbraw/zinc/40/16/59/1073401659.db2.gz DGMGFZUBIPHPHQ-UHFFFAOYSA-N -1 0 537.881 6.576 40 30 KKEBRM Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059250022 193893526 /nfs/dbraw/zinc/89/35/26/193893526.db2.gz AMOQXCPUBDJDKJ-VTNSRFBWSA-N -1 0 525.674 7.352 40 30 KKEBRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1 ZINC000409382183 195514328 /nfs/dbraw/zinc/51/43/28/195514328.db2.gz LXDSATIBNQTWAA-VQTJNVASSA-N -1 0 587.400 5.338 40 30 KKEBRM C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1OC ZINC000408634344 195480379 /nfs/dbraw/zinc/48/03/79/195480379.db2.gz UOOFKSOOQGZMEF-UYRXBGFRSA-N -1 0 504.395 5.510 40 30 KKEBRM N#Cc1ccccc1Cn1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc21 ZINC000408634753 195481493 /nfs/dbraw/zinc/48/14/93/195481493.db2.gz TYOFFPCOXRZRTB-CFRMEGHHSA-N -1 0 511.994 6.218 40 30 KKEBRM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(C)cc1 ZINC000001461742 551679546 /nfs/dbraw/zinc/67/95/46/551679546.db2.gz NNFAOPWPFJYIHU-UHFFFAOYSA-N -1 0 550.051 6.124 40 30 KKEBRM Cc1ccc(C(=O)Nc2cccc(/N=C/c3c(C)c(Cl)c(C)c(Br)c3[O-])c2)cc1Br ZINC000003139298 552294214 /nfs/dbraw/zinc/29/42/14/552294214.db2.gz FLXKYIANOKUYAT-LUOAPIJWSA-N -1 0 550.678 7.499 40 30 KKEBRM CCCCc1ccc(C(C)N=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)cc1 ZINC000006481607 552594339 /nfs/dbraw/zinc/59/43/39/552594339.db2.gz YXWXCGJVSGZUTJ-RWPZCVJISA-N -1 0 532.280 6.861 40 30 KKEBRM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccco2)cc1OC ZINC000010343832 553335187 /nfs/dbraw/zinc/33/51/87/553335187.db2.gz HHQXDVRXHLJUKE-LBEKAKSKSA-N -1 0 516.550 5.062 40 30 KKEBRM Cc1cc(NN=Cc2ccccc2[N+](=O)[O-])nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000013548680 553469991 /nfs/dbraw/zinc/46/99/91/553469991.db2.gz HHZQPWGAKALYCX-ZVBGSRNCSA-N -1 0 507.142 5.037 40 30 KKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016384573 553561914 /nfs/dbraw/zinc/56/19/14/553561914.db2.gz IBGFVSCSZCPZBL-YSURURNPSA-N -1 0 508.132 5.523 40 30 KKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1 ZINC000016429090 553563314 /nfs/dbraw/zinc/56/33/14/553563314.db2.gz HHBVDTXTNSNIPO-YPXUMCKCSA-N -1 0 505.117 8.023 40 30 KKEBRM CCCCCCc1ccc(O)c(/C=N/c2cc(Cl)c(Cl)cc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000017720724 553599308 /nfs/dbraw/zinc/59/93/08/553599308.db2.gz IAULDVFBDMRFSF-OGLMXYFKSA-N -1 0 505.467 7.373 40 30 KKEBRM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@H]21 ZINC000070686703 553605546 /nfs/dbraw/zinc/60/55/46/553605546.db2.gz SEOJRLKLAQEBSW-JHBZZUNHSA-N -1 0 631.898 7.386 40 30 KKEBRM COc1ccc(C(NC(=O)C[C@H](NOC(=O)CC2c3ccccc3-c3ccccc32)C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000071418199 553636118 /nfs/dbraw/zinc/63/61/18/553636118.db2.gz GUBHJFUYEOSKQG-PMERELPUSA-N -1 0 580.637 5.003 40 30 biogenic,in-vitro KKEBRM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000077320114 553665379 /nfs/dbraw/zinc/66/53/79/553665379.db2.gz CXQBGQANHHFUKA-UHFFFAOYSA-N -1 0 575.687 6.271 40 30 in-vitro KKEBRM COC(=O)C(=C([O-])C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1csc(-n2nc(C3=CCCCC3)cc2-c2ccccc2)n1 ZINC000082175272 553674554 /nfs/dbraw/zinc/67/45/54/553674554.db2.gz UIBISCTXYRHCFE-DEOSSOPVSA-N -1 0 640.505 7.282 40 30 KKEBRM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000095593247 553705264 /nfs/dbraw/zinc/70/52/64/553705264.db2.gz XCXBZMQZXKZSPX-OEAKJJBVSA-N -1 0 519.377 5.003 40 30 KKEBRM Cc1ccc(Nc2nc(N=NCc3cc(Br)c([O-])c(Br)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000097966198 553907336 /nfs/dbraw/zinc/90/73/36/553907336.db2.gz XSACYUPQAXRMID-KCSSXMTESA-N -1 0 651.407 7.059 40 30 KKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3/S/C(=N/c4cccc(Br)c4)NC3=O)o2)cc1Cl ZINC000033721971 553970461 /nfs/dbraw/zinc/97/04/61/553970461.db2.gz HOHRQGWIVDSNEF-VCHYOVAHSA-N -1 0 503.761 5.952 40 30 KKEBRM CC(N=Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000097980714 553990643 /nfs/dbraw/zinc/99/06/43/553990643.db2.gz AHRMLWJOKSMJKE-MWLSYYOVSA-N -1 0 566.064 7.093 40 30 KKEBRM CCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC ZINC000035656682 554062011 /nfs/dbraw/zinc/06/20/11/554062011.db2.gz TZRYGIVRUTTZPT-PUCVJYRNSA-N -1 0 505.390 5.179 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1cccc(F)c1 ZINC000035657076 554062263 /nfs/dbraw/zinc/06/22/63/554062263.db2.gz GIYLBUYKUSXTHF-KOAGXIKISA-N -1 0 506.555 5.735 40 30 KKEBRM CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000035657032 554062300 /nfs/dbraw/zinc/06/23/00/554062300.db2.gz CJKZHARHGZWADE-BEJYLZJOSA-N -1 0 523.010 6.250 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCC ZINC000035669512 554062309 /nfs/dbraw/zinc/06/23/09/554062309.db2.gz NVBIJLKMJAOHDX-MKMXVRELSA-N -1 0 519.417 5.569 40 30 KKEBRM O=C([O-])c1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000100039662 554191818 /nfs/dbraw/zinc/19/18/18/554191818.db2.gz FJIDWLITKNBSQJ-YJJOPYADSA-N -1 0 548.598 6.491 40 30 KKEBRM O=C([O-])c1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1 ZINC000100039652 554191912 /nfs/dbraw/zinc/19/19/12/554191912.db2.gz PLIASXXIDVMAQX-VBQLZTBCSA-N -1 0 577.434 6.101 40 30 KKEBRM O=C([O-])c1ccc(N/N=C2\SC(=O)N=C2N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036633780 554229828 /nfs/dbraw/zinc/22/98/28/554229828.db2.gz MIFALFUKUWCQRB-MSTCZHFQSA-N -1 0 503.971 5.880 40 30 KKEBRM COc1ccc(-c2oc(/N=C/c3cc(Br)c([O-])c(Br)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000100178331 554241200 /nfs/dbraw/zinc/24/12/00/554241200.db2.gz XAAZLWWOISJBMU-AMVVHIIESA-N -1 0 582.248 7.484 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000100235033 554258074 /nfs/dbraw/zinc/25/80/74/554258074.db2.gz XZQMIPVTDDAICD-IDEODVPUSA-N -1 0 502.592 5.661 40 30 KKEBRM COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1 ZINC000100292739 554284844 /nfs/dbraw/zinc/28/48/44/554284844.db2.gz ATHBRIMRDJEOGT-KIBLKLHPSA-N -1 0 520.419 7.268 40 30 KKEBRM COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1 ZINC000100292734 554284871 /nfs/dbraw/zinc/28/48/71/554284871.db2.gz LQYYCVPSWCGYQW-KIBLKLHPSA-N -1 0 609.321 7.487 40 30 KKEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1C#N ZINC000059104188 554379460 /nfs/dbraw/zinc/37/94/60/554379460.db2.gz XLPPDUVIYBQCJX-YDZHTSKRSA-N -1 0 507.502 5.101 40 30 KKEBRM Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059248442 554386962 /nfs/dbraw/zinc/38/69/62/554386962.db2.gz BAAVPXXXANRCSV-KBVAKVRCSA-N -1 0 511.647 7.044 40 30 KKEBRM Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059303352 554388119 /nfs/dbraw/zinc/38/81/19/554388119.db2.gz FYNHLWNNUYSWKE-KCSSXMTESA-N -1 0 525.674 6.912 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000100455388 554395910 /nfs/dbraw/zinc/39/59/10/554395910.db2.gz GHSLEFVHCVDTKR-LUOAPIJWSA-N -1 0 532.525 6.410 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000100457627 554397000 /nfs/dbraw/zinc/39/70/00/554397000.db2.gz XKXMAJBARXNBJT-VYVUJPJFSA-N -1 0 556.418 7.809 40 30 KKEBRM O=C1C=CC(=[NH+][N-]c2cccc(C(F)(F)F)c2)C=C1C=Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000100507054 554408177 /nfs/dbraw/zinc/40/81/77/554408177.db2.gz RRYDYLKZJPHDCS-PILGNNSUSA-N -1 0 518.520 8.559 40 30 KKEBRM CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000059608510 554411327 /nfs/dbraw/zinc/41/13/27/554411327.db2.gz OPSUVHICOQRABD-UHFFFAOYSA-N -1 0 549.576 6.609 40 30 KKEBRM CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059663891 554421752 /nfs/dbraw/zinc/42/17/52/554421752.db2.gz FJVRIOMONUEZIM-QCKNELIISA-N -1 0 513.744 8.390 40 30 KKEBRM CCCCCCCOC(=O)C(/C=C/c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1)C(=O)OCCCCCCC ZINC000059664043 554421769 /nfs/dbraw/zinc/42/17/69/554421769.db2.gz AWAFTPOPCIBFJJ-PXLXIMEGSA-N -1 0 566.691 7.261 40 30 KKEBRM CCOc1ccc(C2=C(/C=N/c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000100924710 554523388 /nfs/dbraw/zinc/52/33/88/554523388.db2.gz BTTCJXGJPZOKLT-IKZANRSSSA-N -1 0 614.767 8.841 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100927657 554524942 /nfs/dbraw/zinc/52/49/42/554524942.db2.gz QSYGNXXJEGWTCO-DIENZIEHSA-N -1 0 531.392 6.644 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000100927675 554525026 /nfs/dbraw/zinc/52/50/26/554525026.db2.gz XBJXWHQWZQUHJW-GXMXPRDMSA-N -1 0 526.973 5.999 40 30 KKEBRM Cc1cc2nc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc(Br)c4O)c3[O-])oc2cc1C ZINC000100936353 554530423 /nfs/dbraw/zinc/53/04/23/554530423.db2.gz LMJDRVKERSBBGS-VWJSQJICSA-N -1 0 561.863 8.280 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000100936601 554530719 /nfs/dbraw/zinc/53/07/19/554530719.db2.gz OMGRWHCONMGTDA-GXMXPRDMSA-N -1 0 571.424 6.108 40 30 KKEBRM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100937311 554531068 /nfs/dbraw/zinc/53/10/68/554531068.db2.gz KWIPQFPMXZKPAT-DIENZIEHSA-N -1 0 531.392 6.644 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100937206 554531093 /nfs/dbraw/zinc/53/10/93/554531093.db2.gz CMDPGPZPEVIKOT-GXMXPRDMSA-N -1 0 587.879 6.622 40 30 KKEBRM COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100937655 554531328 /nfs/dbraw/zinc/53/13/28/554531328.db2.gz BFBZZZPYHWJCTA-GXMXPRDMSA-N -1 0 587.879 6.622 40 30 KKEBRM C=CCc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000100938516 554531600 /nfs/dbraw/zinc/53/16/00/554531600.db2.gz YZKKLXXDASVSHI-VGSQXBGSSA-N -1 0 553.640 6.196 40 30 KKEBRM Cc1ccc(COc2c(Br)cc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2Br)cc1 ZINC000100939388 554531988 /nfs/dbraw/zinc/53/19/88/554531988.db2.gz RCVBKMGRBLBNGV-GXMXPRDMSA-N -1 0 616.331 7.031 40 30 KKEBRM Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2Br)cc1 ZINC000100939698 554531994 /nfs/dbraw/zinc/53/19/94/554531994.db2.gz GGUNPFMFOCWINR-LUAXBZEPSA-N -1 0 537.435 6.269 40 30 KKEBRM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000100939176 554532025 /nfs/dbraw/zinc/53/20/25/554532025.db2.gz WUBZHGUOVYFFKD-CTMKFROTSA-N -1 0 541.000 6.389 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)cc1OCC ZINC000101014722 554558888 /nfs/dbraw/zinc/55/88/88/554558888.db2.gz DXSZGUDESPWTOF-UZXYXVAJSA-N -1 0 507.718 6.525 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC ZINC000101014607 554558907 /nfs/dbraw/zinc/55/89/07/554558907.db2.gz GGDFGWAFKRMQPC-HAHDFKILSA-N -1 0 515.653 6.244 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OCC ZINC000101014752 554559042 /nfs/dbraw/zinc/55/90/42/554559042.db2.gz YCLOJXCYBAIITR-SLSCBCEPSA-N -1 0 541.735 6.722 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1OC ZINC000101015026 554559362 /nfs/dbraw/zinc/55/93/62/554559362.db2.gz SQQKSXXTFILEOZ-ZCMXIASOSA-N -1 0 541.735 6.720 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015187 554559463 /nfs/dbraw/zinc/55/94/63/554559463.db2.gz AYLVDTRAZTWWTO-VIZKECMVSA-N -1 0 507.718 6.668 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC ZINC000101015119 554559482 /nfs/dbraw/zinc/55/94/82/554559482.db2.gz DKMYDIABRQCUJB-SYXCRGJESA-N -1 0 529.680 6.633 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCCC)C(=O)[O-])C2=O)cc1OCC ZINC000101015196 554559491 /nfs/dbraw/zinc/55/94/91/554559491.db2.gz UDVCUWHLTZLZBS-CYDKYAFJSA-N -1 0 521.745 7.058 40 30 KKEBRM CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OCC ZINC000101015234 554559774 /nfs/dbraw/zinc/55/97/74/554559774.db2.gz NGLYQGARJIWYFC-UJWBHSFFSA-N -1 0 521.745 6.914 40 30 KKEBRM CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000101015300 554560028 /nfs/dbraw/zinc/56/00/28/554560028.db2.gz RFZZKFXBDHICTM-OAKZWBAKSA-N -1 0 543.707 7.023 40 30 KKEBRM COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)[N-]C5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000101262644 554697636 /nfs/dbraw/zinc/69/76/36/554697636.db2.gz NAXBQOBKRFCYKY-BDNSCSJBSA-N -1 0 640.887 7.602 40 30 KKEBRM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cccc(Cl)c4)c3=O)n2)cc1 ZINC000101431503 554770547 /nfs/dbraw/zinc/77/05/47/554770547.db2.gz HUGFYMGZIBWKJB-BYNJWEBRSA-N -1 0 532.969 5.599 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000102625995 554987929 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CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000150380924 571466927 /nfs/dbraw/zinc/46/69/27/571466927.db2.gz CQJXSRZYMXPNIU-CTMKFROTSA-N -1 0 693.357 6.963 40 30 KKEBRM CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150381139 571466976 /nfs/dbraw/zinc/46/69/76/571466976.db2.gz KOYNFYKDQWLOCO-SILRWXEESA-N -1 0 649.304 6.565 40 30 KKEBRM CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C([O-])=C(Sc2nc3ccccc3s2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000150382471 571467174 /nfs/dbraw/zinc/46/71/74/571467174.db2.gz GULZKOHYUFAIPP-FAIXQHPJSA-N -1 0 802.072 11.052 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc(I)cc(I)c3[O-])cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000150383614 571467899 /nfs/dbraw/zinc/46/78/99/571467899.db2.gz QKVKYLMJQYUWSY-IBBHUPRXSA-N -1 0 732.406 8.604 40 30 KKEBRM O=C(CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000150383610 571467998 /nfs/dbraw/zinc/46/79/98/571467998.db2.gz AOFAFLZETJCXGJ-IBBHUPRXSA-N -1 0 638.406 8.920 40 30 KKEBRM Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c([O-])c(Br)c4)cc3s2)cc1Cl ZINC000150384271 571468247 /nfs/dbraw/zinc/46/82/47/571468247.db2.gz SRGYYCUOCRGVCY-YPXUMCKCSA-N -1 0 625.795 7.970 40 30 KKEBRM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c1=2)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000150393554 571475078 /nfs/dbraw/zinc/47/50/78/571475078.db2.gz JDRWLVAGSXHNPM-CMMVDKRKSA-N -1 0 670.545 5.777 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)nc2c1 ZINC000150397656 571476902 /nfs/dbraw/zinc/47/69/02/571476902.db2.gz KHDZVTLQMGXALC-ZKJHFGPLSA-N -1 0 622.244 7.674 40 30 KKEBRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1cc(I)c([O-])c(I)c1 ZINC000150413174 571484811 /nfs/dbraw/zinc/48/48/11/571484811.db2.gz WQQQSPMUCRLDSK-FFWSKWEWSA-N -1 0 658.362 6.700 40 30 KKEBRM Cc1ccc(NC(=O)[C@H](CCCNC(=NC(=O)OCc2ccccc2)[N-]C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1C ZINC000150456799 571504751 /nfs/dbraw/zinc/50/47/51/571504751.db2.gz VGFWJXGFOBSZKY-XIFFEERXSA-N -1 0 679.774 6.526 40 30 KKEBRM COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)c1 ZINC000150485111 571515620 /nfs/dbraw/zinc/51/56/20/571515620.db2.gz FIODSMKXWGXCKP-LUOAPIJWSA-N -1 0 637.375 7.026 40 30 KKEBRM COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3s2)c1 ZINC000150485123 571515644 /nfs/dbraw/zinc/51/56/44/571515644.db2.gz ZFZRSRSHCPKZLM-LUOAPIJWSA-N -1 0 731.375 6.710 40 30 KKEBRM COc1cc(/C=N/c2nc(-c3ccccc3)cs2)cc(Cc2cc(/C=N/c3nc(-c4ccccc4)cs3)cc(OC)c2O)c1[O-] ZINC000150591102 571522059 /nfs/dbraw/zinc/52/20/59/571522059.db2.gz QQQNFBLBCFCRDZ-AKNMSSKMSA-N -1 0 632.767 8.454 40 30 KKEBRM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3)nc2c1 ZINC000150591756 571522178 /nfs/dbraw/zinc/52/21/78/571522178.db2.gz WSASMVGBMSVYIS-ZKJHFGPLSA-N -1 0 622.244 7.674 40 30 KKEBRM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000150599252 571522553 /nfs/dbraw/zinc/52/25/53/571522553.db2.gz NXVZHDGIVLJFKD-AREMUKBSSA-N -1 0 628.663 6.822 40 30 KKEBRM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000150611420 571523008 /nfs/dbraw/zinc/52/30/08/571523008.db2.gz PWHMTMKOJZSINX-DEOSSOPVSA-N -1 0 629.566 7.434 40 30 KKEBRM COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000150636561 571524281 /nfs/dbraw/zinc/52/42/81/571524281.db2.gz RGFIONKKFCMGKH-JKYIWLJLSA-N -1 0 625.444 5.682 40 30 KKEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150634910 571524285 /nfs/dbraw/zinc/52/42/85/571524285.db2.gz ZUBWTPRRNXPPSE-JYEAFRFESA-N -1 0 650.378 8.056 40 30 KKEBRM C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000164332742 571545912 /nfs/dbraw/zinc/54/59/12/571545912.db2.gz SJKBUZOOICZODI-DHRITJCHSA-N -1 0 650.513 5.836 40 30 KKEBRM N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000164448143 571547683 /nfs/dbraw/zinc/54/76/83/571547683.db2.gz YDDFSGHZHLQBDM-DJKKODMXSA-N -1 0 615.665 5.982 40 30 KKEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164472021 571548558 /nfs/dbraw/zinc/54/85/58/571548558.db2.gz QIQZAUHMDNOBHW-LPYMAVHISA-N -1 0 630.322 7.129 40 30 KKEBRM [O-]c1c(I)cc(/C=N/c2ccc3nc(SCc4c(Cl)cccc4Cl)sc3c2)cc1I ZINC000164521664 571549320 /nfs/dbraw/zinc/54/93/20/571549320.db2.gz PGKPIMCFRORMCM-JQAMDZJQSA-N -1 0 697.188 8.561 40 30 KKEBRM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)NC[C@H]1CCCO1 ZINC000164707168 571550715 /nfs/dbraw/zinc/55/07/15/571550715.db2.gz HBCUVLZFXYRQBO-ZKWOTWPISA-N -1 0 679.343 5.349 40 30 KKEBRM CC(C)(C)OC(=O)N=C(N)N(CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)OC(C)(C)C ZINC000211398880 571576140 /nfs/dbraw/zinc/57/61/40/571576140.db2.gz QAWFIDADTYJUPT-XMMPIXPASA-N -1 0 596.681 5.245 40 30 KKEBRM O=C([O-])CNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328959491 572146723 /nfs/dbraw/zinc/14/67/23/572146723.db2.gz AURGGBRQIBHSKQ-UHFFFAOYSA-N -1 0 540.342 5.164 40 30 KKEBRM Cc1ccc(/N=C2\S/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408532070 572178541 /nfs/dbraw/zinc/17/85/41/572178541.db2.gz NLHXQZGVYPVNKF-BLGMPFDXSA-N -1 0 569.082 8.043 40 30 KKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408533222 572182530 /nfs/dbraw/zinc/18/25/30/572182530.db2.gz XRGGFTOCYMTEMS-FILPIMBOSA-N -1 0 654.369 8.842 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408536839 572192739 /nfs/dbraw/zinc/19/27/39/572192739.db2.gz BILQLYMJNGQFKO-ZHZULCJRSA-N -1 0 574.428 5.772 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408537208 572193754 /nfs/dbraw/zinc/19/37/54/572193754.db2.gz CVIZJGIFXHIPMX-MOSHPQCFSA-N -1 0 574.428 5.772 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408537210 572193814 /nfs/dbraw/zinc/19/38/14/572193814.db2.gz CXRIIQSUADCVLN-QNGOZBTKSA-N -1 0 543.016 5.541 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408537425 572194097 /nfs/dbraw/zinc/19/40/97/572194097.db2.gz DYOLSLRGZUXIJK-QNGOZBTKSA-N -1 0 533.452 6.798 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408537385 572194127 /nfs/dbraw/zinc/19/41/27/572194127.db2.gz DIHYREZGANKSJT-CPNJWEJPSA-N -1 0 657.197 7.380 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408537421 572194444 /nfs/dbraw/zinc/19/44/44/572194444.db2.gz DWPKAGBOVWBHGJ-HFTWOUSFSA-N -1 0 605.529 7.434 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408538504 572198621 /nfs/dbraw/zinc/19/86/21/572198621.db2.gz NYHDYDYSJJVFAX-IADYIPOJSA-N -1 0 526.633 6.671 40 30 KKEBRM CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408538544 572198696 /nfs/dbraw/zinc/19/86/96/572198696.db2.gz OPAWUIKMHVSODU-RCCKNPSSSA-N -1 0 547.877 6.817 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538726 572199628 /nfs/dbraw/zinc/19/96/28/572199628.db2.gz PTYXZDJPMOFXPS-RGEXLXHISA-N -1 0 519.425 6.408 40 30 KKEBRM CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408539070 572200572 /nfs/dbraw/zinc/20/05/72/572200572.db2.gz SKZJOIGHPPOMCT-RGEXLXHISA-N -1 0 523.844 7.053 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1Br ZINC000408539602 572202884 /nfs/dbraw/zinc/20/28/84/572202884.db2.gz INKZCCISLORYJC-CJLVFECKSA-N -1 0 680.434 7.805 40 30 KKEBRM CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408539700 572203383 /nfs/dbraw/zinc/20/33/83/572203383.db2.gz YBRRZQAPRXIHFE-LYBHJNIJSA-N -1 0 508.615 5.890 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408539908 572203712 /nfs/dbraw/zinc/20/37/12/572203712.db2.gz ZXGYUOLTMOUYBN-UYRXBGFRSA-N -1 0 612.348 7.560 40 30 KKEBRM CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000408540495 572205777 /nfs/dbraw/zinc/20/57/77/572205777.db2.gz SNLPZKDNYSLJTB-RGEXLXHISA-N -1 0 505.467 6.564 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408540651 572206514 /nfs/dbraw/zinc/20/65/14/572206514.db2.gz UWMQPKHHJUGTSK-HKWRFOASSA-N -1 0 545.499 6.028 40 30 KKEBRM CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408541192 572207931 /nfs/dbraw/zinc/20/79/31/572207931.db2.gz YHNQSZORBRPSTL-RGEXLXHISA-N -1 0 578.301 6.617 40 30 KKEBRM O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccc(Cl)c(Cl)c4)NC3=O)c3ccccc32)o1 ZINC000408543658 572213384 /nfs/dbraw/zinc/21/33/84/572213384.db2.gz PSIDQMZTPLMMCH-NKVSQWTQSA-N -1 0 512.374 6.179 40 30 KKEBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(C#N)cc2)C(=O)[O-])o1 ZINC000408631587 572287755 /nfs/dbraw/zinc/28/77/55/572287755.db2.gz FTULKVBKERAJCA-KSEXSDGBSA-N -1 0 554.411 6.720 40 30 KKEBRM Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408632660 572289116 /nfs/dbraw/zinc/28/91/16/572289116.db2.gz GNMWENBYKPFULS-UUYOSTAYSA-N -1 0 536.082 6.562 40 30 KKEBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)[O-])n[nH]1 ZINC000408633190 572289870 /nfs/dbraw/zinc/28/98/70/572289870.db2.gz WYRBELGWBHLTDX-FMCGGJTJSA-N -1 0 518.982 5.802 40 30 KKEBRM C=CCOc1c(Br)cc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1OC ZINC000408633815 572290590 /nfs/dbraw/zinc/29/05/90/572290590.db2.gz PRQMGEIBMCSQCC-OCKHKDLRSA-N -1 0 548.415 5.043 40 30 KKEBRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000254741656 572303334 /nfs/dbraw/zinc/30/33/34/572303334.db2.gz FZFTUTOQKMIXAT-ZYZILREQSA-N -1 0 735.827 5.429 40 30 KKEBRM CCc1ccc2oc(-c3cc(N=Cc4ccc(OC(=O)c5cc(Cl)ccc5Cl)cc4)ccc3[O-])nc2c1 ZINC000257346776 572320467 /nfs/dbraw/zinc/32/04/67/572320467.db2.gz IRJZDGDMJQLTLV-UHFFFAOYSA-N -1 0 531.395 8.039 40 30 KKEBRM