smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NCc1ccco1 ZINC000000883648 551556175 /nfs/dbraw/zinc/55/61/75/551556175.db2.gz ROACLNAPZNVPCH-CIAFOILYSA-N -1 0 518.982 4.035 40 10 KICBRM O=C1[N-]N(C2=NNC3(c4ccccc4-c4ccccc43)C(=O)N2)C(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1 ZINC000001641976 551687329 /nfs/dbraw/zinc/68/73/29/551687329.db2.gz QETSMULIVAOTPT-NLRVBDNBSA-N -1 0 545.002 4.389 40 10 KICBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1 ZINC000002143992 551775579 /nfs/dbraw/zinc/77/55/79/551775579.db2.gz FIHXOZCALBDGQK-UFFVCSGVSA-N -1 0 506.492 4.357 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000002948417 552228442 /nfs/dbraw/zinc/22/84/42/552228442.db2.gz KXACPVRKLNSYIH-KGENOOAVSA-N -1 0 522.941 4.481 40 10 KICBRM CCCCN1C(=O)C(=C/C=C\C=C2/Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCCC)C1=S ZINC000003873770 552421347 /nfs/dbraw/zinc/42/13/47/552421347.db2.gz SKDUSRXOWAXOCO-MBABDBFKSA-N -1 0 547.699 4.043 40 10 in-vitro KICBRM CC(=O)Nc1cc(Cl)c(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(Cl)c1 ZINC000004830679 552488374 /nfs/dbraw/zinc/48/83/74/552488374.db2.gz FVWOBUHCGTXFMQ-UHFFFAOYSA-N -1 0 520.350 4.300 40 10 KICBRM CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C1=O ZINC000005947674 552515757 /nfs/dbraw/zinc/51/57/57/552515757.db2.gz PTVYKZSDJUVMOW-LDADJPATSA-N -1 0 501.381 4.015 40 10 KICBRM COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)cc1 ZINC000006088752 552530451 /nfs/dbraw/zinc/53/04/51/552530451.db2.gz SNOSXGOBJICICZ-XMHGGMMESA-N -1 0 560.704 4.183 40 10 KICBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006354148 552581930 /nfs/dbraw/zinc/58/19/30/552581930.db2.gz JUNHKXWZWRSOPJ-KMBIYUNPSA-N -1 0 592.073 4.476 40 10 KICBRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006354150 552581935 /nfs/dbraw/zinc/58/19/35/552581935.db2.gz JUNHKXWZWRSOPJ-GVMLUORFSA-N -1 0 592.073 4.476 40 10 KICBRM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000006456962 552589989 /nfs/dbraw/zinc/58/99/89/552589989.db2.gz ALGMYQCLSIXBDQ-WQRHYEAKSA-N -1 0 525.340 4.376 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 ZINC000006579916 552601145 /nfs/dbraw/zinc/60/11/45/552601145.db2.gz XGBBBFMBNYGWAW-STZFKDTASA-N -1 0 535.350 4.481 40 10 KICBRM COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1 ZINC000008819914 553154589 /nfs/dbraw/zinc/15/45/89/553154589.db2.gz WRXXSPZBNPMROE-MOSHPQCFSA-N -1 0 500.598 4.499 40 10 KICBRM COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1 ZINC000008819915 553154654 /nfs/dbraw/zinc/15/46/54/553154654.db2.gz NHMFNQHEBWZZFT-MOSHPQCFSA-N -1 0 500.598 4.499 40 10 KICBRM O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000008819997 553154967 /nfs/dbraw/zinc/15/49/67/553154967.db2.gz VLCPOXRFLUFBGG-JAIQZWGSSA-N -1 0 515.569 4.429 40 10 KICBRM O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008819998 553154972 /nfs/dbraw/zinc/15/49/72/553154972.db2.gz KEABIKBLOTYVIV-JAIQZWGSSA-N -1 0 515.569 4.429 40 10 KICBRM O=C([O-])c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1O ZINC000008820053 553154947 /nfs/dbraw/zinc/15/49/47/553154947.db2.gz GTOBRKJMNKWQNE-JAIQZWGSSA-N -1 0 514.581 4.219 40 10 KICBRM O=C([O-])c1cc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)ccc1O ZINC000008820054 553154950 /nfs/dbraw/zinc/15/49/50/553154950.db2.gz SVBBOXBOKLAJAC-JAIQZWGSSA-N -1 0 514.581 4.219 40 10 KICBRM COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008821395 553155880 /nfs/dbraw/zinc/15/58/80/553155880.db2.gz AOHCYNZOCBCXRW-WQRHYEAKSA-N -1 0 500.019 4.017 40 10 KICBRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000008870186 553171401 /nfs/dbraw/zinc/17/14/01/553171401.db2.gz SEKCAEXIUJWOIW-PDGBHBLJSA-N -1 0 505.621 4.128 40 10 KICBRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000008870187 553171454 /nfs/dbraw/zinc/17/14/54/553171454.db2.gz SEKCAEXIUJWOIW-YKNIDGFVSA-N -1 0 505.621 4.128 40 10 KICBRM O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1O ZINC000009030151 553201336 /nfs/dbraw/zinc/20/13/36/553201336.db2.gz WATQUUWEMMXRCQ-SXGWCWSVSA-N -1 0 507.387 4.083 40 10 KICBRM CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000009259660 553228033 /nfs/dbraw/zinc/22/80/33/553228033.db2.gz WFMZYPVYKOFOAX-YDRQLGOLSA-N -1 0 526.371 4.272 40 10 KICBRM CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000009259662 553228022 /nfs/dbraw/zinc/22/80/22/553228022.db2.gz WFMZYPVYKOFOAX-ATTDUZETSA-N -1 0 526.371 4.272 40 10 KICBRM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(SC)c1 ZINC000009310546 553238923 /nfs/dbraw/zinc/23/89/23/553238923.db2.gz MQZABCREJJWVEH-VXLYETTFSA-N -1 0 518.638 4.111 40 10 KICBRM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000009310551 553238906 /nfs/dbraw/zinc/23/89/06/553238906.db2.gz WGPVAGWSQCENGR-RGVLZGJSSA-N -1 0 500.598 4.122 40 10 KICBRM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000009310596 553239099 /nfs/dbraw/zinc/23/90/99/553239099.db2.gz ZFVZREZXJSXUPD-GIJQJNRQSA-N -1 0 506.989 4.042 40 10 KICBRM O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000009404266 553255735 /nfs/dbraw/zinc/25/57/35/553255735.db2.gz PFMPHFOYPHRGKW-SXGWCWSVSA-N -1 0 508.375 4.293 40 10 KICBRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000010112151 553328725 /nfs/dbraw/zinc/32/87/25/553328725.db2.gz RHLJHPUSRAEOCK-UHFFFAOYSA-N -1 0 500.020 4.216 40 10 KICBRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)cc1 ZINC000010112152 553328733 /nfs/dbraw/zinc/32/87/33/553328733.db2.gz BOIGFRJPSPETPO-UHFFFAOYSA-N -1 0 500.020 4.216 40 10 KICBRM CCOc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000012274899 553356074 /nfs/dbraw/zinc/35/60/74/553356074.db2.gz IJNTZJRVXASEGH-UNOMPAQXSA-N -1 0 514.046 4.407 40 10 KICBRM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585826 553476822 /nfs/dbraw/zinc/47/68/22/553476822.db2.gz QQBYYMUTCQWYRH-UHFFFAOYSA-N -1 0 500.985 4.410 40 10 KICBRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c1 ZINC000013668740 553481047 /nfs/dbraw/zinc/48/10/47/553481047.db2.gz JLZILFWYVZURQE-UHFFFAOYSA-N -1 0 500.020 4.216 40 10 KICBRM COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000013914194 553495432 /nfs/dbraw/zinc/49/54/32/553495432.db2.gz BVPYLVJKFJNJCR-MAKCPWPFSA-N -1 0 513.550 4.456 40 10 KICBRM COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000013914196 553495404 /nfs/dbraw/zinc/49/54/04/553495404.db2.gz BVPYLVJKFJNJCR-SDCZFJSOSA-N -1 0 513.550 4.456 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCC ZINC000014133061 553501656 /nfs/dbraw/zinc/50/16/56/553501656.db2.gz NMVHHASLSOBVHV-XNTDXEJSSA-N -1 0 520.323 4.063 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OC(C)C ZINC000014133167 553501800 /nfs/dbraw/zinc/50/18/00/553501800.db2.gz OHOOTTLQFCZHMI-OQLLNIDSSA-N -1 0 520.323 4.062 40 10 KICBRM Cn1c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2oc1=O ZINC000016363996 553561517 /nfs/dbraw/zinc/56/15/17/553561517.db2.gz UDSVQMCASWIPMF-JCMHNJIXSA-N -1 0 512.566 4.178 40 10 KICBRM C[C@@H](N1C(=O)[N-]C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000016576058 553568443 /nfs/dbraw/zinc/56/84/43/553568443.db2.gz JQAVWIXITCNQEF-DERCLCGGSA-N -1 0 501.377 4.245 40 10 KICBRM C[C@H](N1C(=O)[N-]C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000016576060 553568500 /nfs/dbraw/zinc/56/85/00/553568500.db2.gz JQAVWIXITCNQEF-PKBCWMSCSA-N -1 0 501.377 4.245 40 10 KICBRM CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000016682818 553572711 /nfs/dbraw/zinc/57/27/11/553572711.db2.gz RCIDXJWMOCQECE-AUWJEWJLSA-N -1 0 513.786 4.420 40 10 KICBRM COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(Cn3cnnc3)cc2)cc1 ZINC000020288895 571360615 /nfs/dbraw/zinc/36/06/15/571360615.db2.gz YPNKLZKDVZIPMS-BWAHOGKJSA-N -1 0 509.526 4.380 40 10 KICBRM Cc1cc(Cn2cnc3c2C[C@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C ZINC000026962204 553821941 /nfs/dbraw/zinc/82/19/41/553821941.db2.gz YSTVFDAKLDMYCR-MUUNZHRXSA-N -1 0 508.622 4.476 40 10 in-vitro KICBRM O=C(C[C@@H]1SC(=O)[N-]C1=O)Oc1ccc(C=C2C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000028294947 553841494 /nfs/dbraw/zinc/84/14/94/553841494.db2.gz AIIMCGSQNUUMRD-MXHVWWQHSA-N -1 0 500.326 4.078 40 10 KICBRM O=C(C[C@H]1SC(=O)[N-]C1=O)Oc1ccc(C=C2C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000028294949 553841596 /nfs/dbraw/zinc/84/15/96/553841596.db2.gz AIIMCGSQNUUMRD-MOVXZBDNSA-N -1 0 500.326 4.078 40 10 KICBRM CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O ZINC000032109285 553862846 /nfs/dbraw/zinc/86/28/46/553862846.db2.gz ZUUKKZRZOBBRAH-PDGQHHTCSA-N -1 0 501.333 4.460 40 10 KICBRM CCCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)[N-]N(c2ccc(I)cc2)C1=O ZINC000032109816 553863575 /nfs/dbraw/zinc/86/35/75/553863575.db2.gz BALHLOQIHDBXSR-ZHZULCJRSA-N -1 0 519.383 4.388 40 10 KICBRM O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035984030 554118762 /nfs/dbraw/zinc/11/87/62/554118762.db2.gz POWNBKSLBRPYCJ-SXGWCWSVSA-N -1 0 508.375 4.293 40 10 KICBRM O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000036559448 554225539 /nfs/dbraw/zinc/22/55/39/554225539.db2.gz QAKHQEFGXNJFIB-SXGWCWSVSA-N -1 0 508.375 4.293 40 10 KICBRM CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OCC(=O)NC1CCCCC1 ZINC000036612278 554225722 /nfs/dbraw/zinc/22/57/22/554225722.db2.gz KXMZJHWZKZWFBP-HZHRSRAPSA-N -1 0 505.571 4.417 40 10 KICBRM CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1OCC(=O)NC1CCCCC1 ZINC000036612535 554225800 /nfs/dbraw/zinc/22/58/00/554225800.db2.gz HUWMSYRSLGTITD-OEAKJJBVSA-N -1 0 505.571 4.417 40 10 KICBRM CCCC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cc(I)cc(OC)c1O ZINC000036617154 554226368 /nfs/dbraw/zinc/22/63/68/554226368.db2.gz DGLJSPOUOWYBCW-MHWRWJLKSA-N -1 0 506.296 4.290 40 10 KICBRM COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)c(Br)c1O ZINC000038177179 554273899 /nfs/dbraw/zinc/27/38/99/554273899.db2.gz XLZNPCCVLUXRQG-BJMVGYQFSA-N -1 0 500.099 4.021 40 10 KICBRM CCOC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000059087168 554372141 /nfs/dbraw/zinc/37/21/41/554372141.db2.gz XKCDTPFJIKNCRI-VXLYETTFSA-N -1 0 510.344 4.469 40 10 KICBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC(C)C ZINC000059104830 554380017 /nfs/dbraw/zinc/38/00/17/554380017.db2.gz AHRJKASHVDVRRJ-MKMNVTDBSA-N -1 0 503.305 4.480 40 10 KICBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)c1 ZINC000059105095 554380039 /nfs/dbraw/zinc/38/00/39/554380039.db2.gz HTXUSFULXSPNTR-AUWJEWJLSA-N -1 0 503.305 4.482 40 10 KICBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC ZINC000059105118 554380080 /nfs/dbraw/zinc/38/00/80/554380080.db2.gz IEPSUVWTBKPBLJ-VGOFMYFVSA-N -1 0 503.305 4.482 40 10 KICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059109561 554380951 /nfs/dbraw/zinc/38/09/51/554380951.db2.gz PGPXAGVQZZVYOY-PXLXIMEGSA-N -1 0 521.574 4.474 40 10 KICBRM COC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000059135154 554381182 /nfs/dbraw/zinc/38/11/82/554381182.db2.gz ORYGKQJPPIYECD-AWNIVKPZSA-N -1 0 511.687 4.300 40 10 KICBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC ZINC000059135492 554381488 /nfs/dbraw/zinc/38/14/88/554381488.db2.gz MREILJXRXNALHA-RIYZIHGNSA-N -1 0 510.259 4.344 40 10 KICBRM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OC ZINC000059135733 554381815 /nfs/dbraw/zinc/38/18/15/554381815.db2.gz BQTHTOFHHBFVFV-YRNVUSSQSA-N -1 0 512.300 4.119 40 10 KICBRM CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000059136027 554382012 /nfs/dbraw/zinc/38/20/12/554382012.db2.gz NBQYWSWRPMKAPA-UKTHLTGXSA-N -1 0 507.337 4.202 40 10 KICBRM CCOC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000059136298 554382306 /nfs/dbraw/zinc/38/23/06/554382306.db2.gz CCWDHQHLIQAKLE-NTEUORMPSA-N -1 0 506.939 4.491 40 10 KICBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1O ZINC000059136310 554382328 /nfs/dbraw/zinc/38/23/28/554382328.db2.gz YXJCTNVBSYOHLP-YRNVUSSQSA-N -1 0 512.300 4.206 40 10 KICBRM CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000059136447 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CN(C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408528242 572162966 /nfs/dbraw/zinc/16/29/66/572162966.db2.gz FQOGFCASNGOBLP-KOEQRZSOSA-N -1 0 512.610 4.435 40 10 KICBRM CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408528356 572163865 /nfs/dbraw/zinc/16/38/65/572163865.db2.gz AZXLQSSYWMDFII-NVNXTCNLSA-N -1 0 522.149 4.112 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408528437 572164371 /nfs/dbraw/zinc/16/43/71/572164371.db2.gz BGECSTPXDYEIBY-XMHGGMMESA-N -1 0 504.470 4.119 40 10 KICBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)c1 ZINC000408528447 572164428 /nfs/dbraw/zinc/16/44/28/572164428.db2.gz BHGVCFLSSPVSFX-UDWIEESQSA-N -1 0 506.898 4.243 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408528457 572164685 /nfs/dbraw/zinc/16/46/85/572164685.db2.gz BILQIFZKTMLOSV-DEDYPNTBSA-N -1 0 582.350 4.494 40 10 KICBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000408528481 572164666 /nfs/dbraw/zinc/16/46/66/572164666.db2.gz GEAIHQYWMKZWOI-DTQAZKPQSA-N -1 0 575.828 4.482 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408528495 572164603 /nfs/dbraw/zinc/16/46/03/572164603.db2.gz BKFYPCFFYOBMCE-XDHOZWIPSA-N -1 0 613.320 4.094 40 10 KICBRM O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c(N3CCOCC3)cc2[nH]1 ZINC000408528500 572164337 /nfs/dbraw/zinc/16/43/37/572164337.db2.gz GFQBHSVRFQUEQT-HAVVHWLPSA-N -1 0 582.661 4.152 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000408528522 572164483 /nfs/dbraw/zinc/16/44/83/572164483.db2.gz BMIIAVIIANUHCV-NDENLUEZSA-N -1 0 611.401 4.369 40 10 KICBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)c1 ZINC000408528577 572164971 /nfs/dbraw/zinc/16/49/71/572164971.db2.gz BNVCKRXFSHHBMM-MOSHPQCFSA-N -1 0 521.323 4.343 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408528590 572165101 /nfs/dbraw/zinc/16/51/01/572165101.db2.gz BOIPKPYFMWZPQR-PXLXIMEGSA-N -1 0 500.507 4.288 40 10 KICBRM COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)cc1 ZINC000408528638 572165149 /nfs/dbraw/zinc/16/51/49/572165149.db2.gz BQMHAOBXVNCBMR-DEDYPNTBSA-N -1 0 506.898 4.243 40 10 KICBRM CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408528642 572165229 /nfs/dbraw/zinc/16/52/29/572165229.db2.gz BQRUAHOOUOLNBQ-GDNBJRDFSA-N -1 0 569.149 4.036 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408528682 572165063 /nfs/dbraw/zinc/16/50/63/572165063.db2.gz BRLJPQKHOVIRFU-RBAGPTNGSA-N -1 0 512.518 4.379 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408528686 572165524 /nfs/dbraw/zinc/16/55/24/572165524.db2.gz BRXIELOPKKBCMC-XDHOZWIPSA-N -1 0 521.869 4.142 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3cccc(Cl)c3Cl)C2=O)ccc1Br ZINC000408529123 572167497 /nfs/dbraw/zinc/16/74/97/572167497.db2.gz GZZMVDJXORVTBH-DHZHZOJOSA-N -1 0 512.147 4.353 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408529193 572167199 /nfs/dbraw/zinc/16/71/99/572167199.db2.gz CJVXBEVBDAFOES-ODLFYWEKSA-N -1 0 565.332 4.072 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408529299 572167996 /nfs/dbraw/zinc/16/79/96/572167996.db2.gz CPYPKHDEVIDSDQ-QZTGBSOPSA-N -1 0 531.452 4.028 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408529351 572167914 /nfs/dbraw/zinc/16/79/14/572167914.db2.gz CRRFUQDUFYILLF-BKKRHBAOSA-N -1 0 512.518 4.379 40 10 KICBRM COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc(OC)c1OC ZINC000408529688 572169440 /nfs/dbraw/zinc/16/94/40/572169440.db2.gz CXKUNWJVCSNZRN-UNOMPAQXSA-N -1 0 628.375 4.203 40 10 KICBRM CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000408529695 572169168 /nfs/dbraw/zinc/16/91/68/572169168.db2.gz CXOFRJOHOLYZLB-GDNBJRDFSA-N -1 0 522.149 4.193 40 10 KICBRM CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408529726 572169347 /nfs/dbraw/zinc/16/93/47/572169347.db2.gz CZBKAWFRKYVHKD-DHDCSXOGSA-N -1 0 511.250 4.450 40 10 KICBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CN=c2[nH]c3ccc(Cl)cc3s2)C1=O ZINC000408529770 572169307 /nfs/dbraw/zinc/16/93/07/572169307.db2.gz HWLPXLSDGTVPER-UKTHLTGXSA-N -1 0 505.781 4.853 40 10 KICBRM COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408529774 572169447 /nfs/dbraw/zinc/16/94/47/572169447.db2.gz HWOVQXKBRNOGHN-RCCKNPSSSA-N -1 0 534.594 4.000 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408529794 572169312 /nfs/dbraw/zinc/16/93/12/572169312.db2.gz DEAOONPHBCLDRY-YBFXNURJSA-N -1 0 579.359 4.462 40 10 KICBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408529798 572169818 /nfs/dbraw/zinc/16/98/18/572169818.db2.gz DENRXKOQTGESBV-UYRXBGFRSA-N -1 0 536.294 4.243 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408529803 572169953 /nfs/dbraw/zinc/16/99/53/572169953.db2.gz DFBOSEUOOLCOKL-FYJGNVAPSA-N -1 0 560.559 4.305 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408529810 572169694 /nfs/dbraw/zinc/16/96/94/572169694.db2.gz DFLQUISXZIKKIE-PXLXIMEGSA-N -1 0 500.507 4.288 40 10 KICBRM O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4cccc5ccccc54)C3=O)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408529899 572169921 /nfs/dbraw/zinc/16/99/21/572169921.db2.gz IFUFBQJKHFUDEV-FCDQGJHFSA-N -1 0 573.613 4.327 40 10 KICBRM COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408529934 572169937 /nfs/dbraw/zinc/16/99/37/572169937.db2.gz DKRUEYBFCBAWLX-AQTBWJFISA-N -1 0 539.313 4.482 40 10 KICBRM CCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408530119 572170915 /nfs/dbraw/zinc/17/09/15/572170915.db2.gz ITINSBQFZRXYMM-AQTBWJFISA-N -1 0 501.333 4.081 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(=S)Nc3cccc4ccccc43)C2=O)ccc1Br ZINC000408530132 572170848 /nfs/dbraw/zinc/17/08/48/572170848.db2.gz ITMXSZDXZWZNOU-SFQUDFHCSA-N -1 0 509.385 4.364 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408530269 572171270 /nfs/dbraw/zinc/17/12/70/572171270.db2.gz DRDCSBNQHSJJFJ-DEDYPNTBSA-N -1 0 560.559 4.305 40 10 KICBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000408530334 572171248 /nfs/dbraw/zinc/17/12/48/572171248.db2.gz FALPJBLPDVQHRK-WQRHYEAKSA-N -1 0 535.306 4.063 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408530344 572171343 /nfs/dbraw/zinc/17/13/43/572171343.db2.gz FCFQTBPHQLDZFB-NAAZAUSASA-N -1 0 557.515 4.287 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408530384 572171354 /nfs/dbraw/zinc/17/13/54/572171354.db2.gz FFHDWYNCQDQUIC-LTRZOUJXSA-N -1 0 545.479 4.418 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408530658 572172845 /nfs/dbraw/zinc/17/28/45/572172845.db2.gz FMOGTBGZKDXWML-CUIFKHMFSA-N -1 0 557.515 4.287 40 10 KICBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408530817 572173376 /nfs/dbraw/zinc/17/33/76/572173376.db2.gz FWZGVSSMNZRPRS-NDENLUEZSA-N -1 0 566.320 4.252 40 10 KICBRM CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408530873 572173528 /nfs/dbraw/zinc/17/35/28/572173528.db2.gz FYMSIBCWDXQBQO-NVNXTCNLSA-N -1 0 522.149 4.112 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408530895 572173555 /nfs/dbraw/zinc/17/35/55/572173555.db2.gz FZWZVOJWVNIGEV-UDWIEESQSA-N -1 0 514.490 4.008 40 10 KICBRM Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)cc1C ZINC000408531102 572174574 /nfs/dbraw/zinc/17/45/74/572174574.db2.gz NFEMHBFECBVUTK-PYCFMQQDSA-N -1 0 658.557 4.162 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408531386 572175580 /nfs/dbraw/zinc/17/55/80/572175580.db2.gz GVEHLQXCSJRGJJ-XDHOZWIPSA-N -1 0 566.320 4.252 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408531404 572175423 /nfs/dbraw/zinc/17/54/23/572175423.db2.gz GVKRAOFXEFAKTN-BZDIYGFGSA-N -1 0 557.515 4.287 40 10 KICBRM CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N=Cc3c(C)[n-]n(-c4ccc(I)cc4)c3=O)cc21 ZINC000408531447 572176173 /nfs/dbraw/zinc/17/61/73/572176173.db2.gz OCPFKBNUEGNSCG-VBKFSLOCSA-N -1 0 560.352 4.074 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000408531481 572176143 /nfs/dbraw/zinc/17/61/43/572176143.db2.gz GYGODXSOBQAXFU-ZHZULCJRSA-N -1 0 521.323 4.343 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408531485 572176018 /nfs/dbraw/zinc/17/60/18/572176018.db2.gz GYQPDMPQZJVWLJ-DEDYPNTBSA-N -1 0 506.898 4.243 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408531534 572176200 /nfs/dbraw/zinc/17/62/00/572176200.db2.gz GZQCKEOSECKDCG-LDADJPATSA-N -1 0 564.522 4.136 40 10 KICBRM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408531573 572176510 /nfs/dbraw/zinc/17/65/10/572176510.db2.gz KTLZRFSQUGPDNU-UVTDQMKNSA-N -1 0 519.197 4.121 40 10 KICBRM COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4c(C)cc(C)cc4C)C3=O)cc2)cc1 ZINC000408531604 572176737 /nfs/dbraw/zinc/17/67/37/572176737.db2.gz KXKPHVBDWHLTTR-HZHRSRAPSA-N -1 0 534.594 4.000 40 10 KICBRM COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408531613 572176466 /nfs/dbraw/zinc/17/64/66/572176466.db2.gz HCVNBDISTBHWHJ-ZHZULCJRSA-N -1 0 521.323 4.343 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408531619 572176599 /nfs/dbraw/zinc/17/65/99/572176599.db2.gz HECAAFJRBQMDQT-VLAPBQICSA-N -1 0 527.489 4.197 40 10 KICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408531839 572177607 /nfs/dbraw/zinc/17/76/07/572177607.db2.gz HHDYUSCHYTYHIQ-ODLFYWEKSA-N -1 0 549.333 4.372 40 10 KICBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000408531873 572177650 /nfs/dbraw/zinc/17/76/50/572177650.db2.gz OWYLRRPHAOKYGU-ZTKZIYFRSA-N -1 0 645.716 4.412 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Br)cc3)c(OC)c2)C1=O ZINC000408531971 572178131 /nfs/dbraw/zinc/17/81/31/572178131.db2.gz HQWTXPRCRQRIPF-QGOAFFKASA-N -1 0 551.349 4.352 40 10 KICBRM CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4)c3=O)cc21 ZINC000408532030 572178106 /nfs/dbraw/zinc/17/81/06/572178106.db2.gz LUMCQHKISSJOKS-VBKFSLOCSA-N -1 0 513.352 4.232 40 10 KICBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408532031 572178170 /nfs/dbraw/zinc/17/81/70/572178170.db2.gz HXHIJQFSEJCFKB-WBDHZMATSA-N -1 0 609.332 4.485 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408532209 572179063 /nfs/dbraw/zinc/17/90/63/572179063.db2.gz MCVGZADZVDMXQR-XYOKQWHBSA-N -1 0 512.147 4.353 40 10 KICBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1 ZINC000408532466 572179535 /nfs/dbraw/zinc/17/95/35/572179535.db2.gz IENMVPCZCVVEFT-RGEXLXHISA-N -1 0 538.297 4.177 40 10 KICBRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408532529 572180147 /nfs/dbraw/zinc/18/01/47/572180147.db2.gz IHYGQZQBGBVIPE-NIFOVZITSA-N -1 0 501.426 4.019 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408532558 572180058 /nfs/dbraw/zinc/18/00/58/572180058.db2.gz IIWZDOYFRHWNEQ-VCHYOVAHSA-N -1 0 565.332 4.072 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408532593 572180269 /nfs/dbraw/zinc/18/02/69/572180269.db2.gz IKEHWLNASUVBOJ-YBFXNURJSA-N -1 0 658.401 4.211 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408532633 572180756 /nfs/dbraw/zinc/18/07/56/572180756.db2.gz IPVNNXPKFDMCLB-VPDJWLQPSA-N -1 0 527.489 4.197 40 10 KICBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc2c(c1)OCO2 ZINC000408532650 572180729 /nfs/dbraw/zinc/18/07/29/572180729.db2.gz ISSZZWRAFXXPAJ-ZDLGFXPLSA-N -1 0 524.407 4.320 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccccc3)C2=O)cc1 ZINC000408532686 572180690 /nfs/dbraw/zinc/18/06/90/572180690.db2.gz ITRATVHUGYEMAI-ZHZULCJRSA-N -1 0 521.323 4.343 40 10 KICBRM COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000408532700 572180568 /nfs/dbraw/zinc/18/05/68/572180568.db2.gz QUDWMQVMHDQYPO-PXLXIMEGSA-N -1 0 548.621 4.308 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccccc2)C1=O ZINC000408532735 572181068 /nfs/dbraw/zinc/18/10/68/572181068.db2.gz IWEOTAWYBPFYDU-JXAWBTAJSA-N -1 0 521.323 4.343 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408533050 572182235 /nfs/dbraw/zinc/18/22/35/572182235.db2.gz JEQUVACRXOVPPT-SFQUDFHCSA-N -1 0 572.311 4.169 40 10 KICBRM COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(I)cc4)C3=O)cc2OC)cc1 ZINC000408533070 572182020 /nfs/dbraw/zinc/18/20/20/572182020.db2.gz JIYSXSHMIUVPGQ-DEDYPNTBSA-N -1 0 598.349 4.194 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408533073 572182254 /nfs/dbraw/zinc/18/22/54/572182254.db2.gz JJACWRKXOXXDSB-CIAFOILYSA-N -1 0 576.558 4.005 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408533161 572182188 /nfs/dbraw/zinc/18/21/88/572182188.db2.gz JMPZHEVRBWJDBT-PZBCRXGTSA-N -1 0 545.479 4.418 40 10 KICBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(I)cc2)C1=O ZINC000408533184 572182571 /nfs/dbraw/zinc/18/25/71/572182571.db2.gz OEZSLPYWRVUXRG-XNTDXEJSSA-N -1 0 540.155 4.195 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408533292 572182635 /nfs/dbraw/zinc/18/26/35/572182635.db2.gz JVYUQFUJLHJQEX-ZAMXYLRYSA-N -1 0 527.489 4.197 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408533295 572182769 /nfs/dbraw/zinc/18/27/69/572182769.db2.gz JWHVAEDIIALCKV-SFQUDFHCSA-N -1 0 539.313 4.482 40 10 KICBRM COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408533406 572183150 /nfs/dbraw/zinc/18/31/50/572183150.db2.gz YLLOYPHRBMSNDU-NVNXTCNLSA-N -1 0 527.361 4.066 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N4CCCCC4)cc3)C2=O)c(C)cc1Br ZINC000408533470 572183535 /nfs/dbraw/zinc/18/35/35/572183535.db2.gz SIWHYTRXSZUWMM-XMHGGMMESA-N -1 0 525.403 4.271 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408533549 572183624 /nfs/dbraw/zinc/18/36/24/572183624.db2.gz KAWLYSLKRDKBDM-XBXPHJQFSA-N -1 0 639.358 4.493 40 10 KICBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408533559 572183527 /nfs/dbraw/zinc/18/35/27/572183527.db2.gz KBGOMVKOOOWDIA-ODLFYWEKSA-N -1 0 549.333 4.372 40 10 KICBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3Br)cc2)C1=O ZINC000408533562 572183649 /nfs/dbraw/zinc/18/36/49/572183649.db2.gz OKXWXJUQVRGWPE-XDJHFCHBSA-N -1 0 569.437 4.391 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408533567 572183545 /nfs/dbraw/zinc/18/35/45/572183545.db2.gz KDSJYZQEUBXCHZ-HMMYKYKNSA-N -1 0 500.507 4.288 40 10 KICBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408533659 572184023 /nfs/dbraw/zinc/18/40/23/572184023.db2.gz KKKORJMAQATYGL-ATVHPVEESA-N -1 0 554.284 4.382 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408533668 572183944 /nfs/dbraw/zinc/18/39/44/572183944.db2.gz KKTDWKBEYFEMHO-KGENOOAVSA-N -1 0 515.478 4.188 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408533727 572184563 /nfs/dbraw/zinc/18/45/63/572184563.db2.gz KOYLKXPPEPJOFE-PXLXIMEGSA-N -1 0 500.507 4.288 40 10 KICBRM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408533858 572184714 /nfs/dbraw/zinc/18/47/14/572184714.db2.gz PIYOGNMFZLLPRA-WQLSENKSSA-N -1 0 538.143 4.354 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408534026 572185227 /nfs/dbraw/zinc/18/52/27/572185227.db2.gz KUJZBMSQPRGQJL-LJDCBMQGSA-N -1 0 639.358 4.493 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3I)C2=O)c(C)cc1Br ZINC000408534093 572185233 /nfs/dbraw/zinc/18/52/33/572185233.db2.gz UUKWDMBDQLVXKQ-FMIVXFBMSA-N -1 0 540.155 4.249 40 10 KICBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3cc(O)cc(c32)C1=O ZINC000408534107 572185277 /nfs/dbraw/zinc/18/52/77/572185277.db2.gz UVONBIAOJIAOBO-WGOQTCKBSA-N -1 0 576.609 4.281 40 10 KICBRM Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)ccc1Br ZINC000408534208 572185779 /nfs/dbraw/zinc/18/57/79/572185779.db2.gz PRPNISHGONAENR-RCCKNPSSSA-N -1 0 616.472 4.477 40 10 KICBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2OC)C1=O ZINC000408534232 572185622 /nfs/dbraw/zinc/18/56/22/572185622.db2.gz PTNCSIWUUWZJER-HMMYKYKNSA-N -1 0 599.463 4.400 40 10 KICBRM CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(c2cc(C)c(C)cc2Br)C1=O ZINC000408534264 572185810 /nfs/dbraw/zinc/18/58/10/572185810.db2.gz QAEHPQPJPJRRNR-KAMYIIQDSA-N -1 0 541.406 4.073 40 10 KICBRM Cc1ccc(NC(=S)N/C=C2\C(=O)[N-]C(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1C ZINC000408534293 572185674 /nfs/dbraw/zinc/18/56/74/572185674.db2.gz QEIXBOVGFPZLCO-MHWRWJLKSA-N -1 0 501.406 4.136 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c(C)cc1Br ZINC000408534409 572186000 /nfs/dbraw/zinc/18/60/00/572186000.db2.gz VMBFCJYNNBIWFU-XYOKQWHBSA-N -1 0 505.781 4.908 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408534445 572186084 /nfs/dbraw/zinc/18/60/84/572186084.db2.gz LZJFMLQVOWLTQZ-DEDYPNTBSA-N -1 0 627.347 4.484 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000408534484 572186165 /nfs/dbraw/zinc/18/61/65/572186165.db2.gz MCPJAVPIRUPQHJ-PDGQHHTCSA-N -1 0 611.401 4.369 40 10 KICBRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408534601 572186495 /nfs/dbraw/zinc/18/64/95/572186495.db2.gz MJOIBIODBJTGKL-KOTFUQRNSA-N -1 0 609.332 4.485 40 10 KICBRM COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000408534769 572186944 /nfs/dbraw/zinc/18/69/44/572186944.db2.gz RBTQXUFFMYAJPF-NBVRZTHBSA-N -1 0 540.985 4.037 40 10 KICBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNC(=S)Nc2ccc(C)c(C)c2)C1=O ZINC000408534783 572187086 /nfs/dbraw/zinc/18/70/86/572187086.db2.gz RDYHWINENWHYFN-GZTJUZNOSA-N -1 0 501.406 4.082 40 10 KICBRM COc1cc(-n2[n-]c(C)c(C=Nc3cc4c(cc3Br)n(C)c(=O)n4C)c2=O)ccc1Cl ZINC000408534875 572187021 /nfs/dbraw/zinc/18/70/21/572187021.db2.gz ROUFQFRPLHDARG-RAXLEYEMSA-N -1 0 504.772 4.020 40 10 KICBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccccc1 ZINC000408534956 572187657 /nfs/dbraw/zinc/18/76/57/572187657.db2.gz NCFPQOFTKXOOOR-LGMDPLHJSA-N -1 0 509.287 4.474 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408534971 572187584 /nfs/dbraw/zinc/18/75/84/572187584.db2.gz NDYCTOKAAZDNTL-MOSHPQCFSA-N -1 0 566.320 4.252 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408535294 572188234 /nfs/dbraw/zinc/18/82/34/572188234.db2.gz NLXJTXDVGAJWBP-FYJGNVAPSA-N -1 0 560.559 4.305 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408535301 572188336 /nfs/dbraw/zinc/18/83/36/572188336.db2.gz NMEUDQZJLMSTCT-SFQUDFHCSA-N -1 0 525.311 4.326 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408535334 572188252 /nfs/dbraw/zinc/18/82/52/572188252.db2.gz NQGYOXGSHLMFGX-HYARGMPZSA-N -1 0 500.507 4.288 40 10 KICBRM Cc1cc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1Br ZINC000408535360 572188298 /nfs/dbraw/zinc/18/82/98/572188298.db2.gz SLCIHIGMYGRFOO-NTEUORMPSA-N -1 0 536.180 4.117 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408535364 572188341 /nfs/dbraw/zinc/18/83/41/572188341.db2.gz NTZYWINSEKBGNR-ZLINDNQKSA-N -1 0 531.452 4.028 40 10 KICBRM CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408535392 572188366 /nfs/dbraw/zinc/18/83/66/572188366.db2.gz NXIYFWOBBVRKLJ-ZSOIEALJSA-N -1 0 522.149 4.112 40 10 KICBRM COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000408535415 572188739 /nfs/dbraw/zinc/18/87/39/572188739.db2.gz NZTZOUPKFSVESA-RGEXLXHISA-N -1 0 551.349 4.352 40 10 KICBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O ZINC000408535497 572188631 /nfs/dbraw/zinc/18/86/31/572188631.db2.gz YPHDHYVKBHMIQH-SILNSSARSA-N -1 0 616.476 4.245 40 10 KICBRM CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CN=c2[nH]c3ccc(Br)cc3s2)C1=O ZINC000408535520 572188572 /nfs/dbraw/zinc/18/85/72/572188572.db2.gz YSPMGJZWTDUCRE-UKTHLTGXSA-N -1 0 550.232 4.963 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ncc(Br)cc3Br)C2=O)ccc1Br ZINC000408535530 572188618 /nfs/dbraw/zinc/18/86/18/572188618.db2.gz TVCAJCIMKAFPQP-YRNVUSSQSA-N -1 0 559.012 4.256 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408535678 572189246 /nfs/dbraw/zinc/18/92/46/572189246.db2.gz OKVXLUWEEYKPIU-CPNJWEJPSA-N -1 0 568.323 4.185 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408535757 572189114 /nfs/dbraw/zinc/18/91/14/572189114.db2.gz ORECTBAPGMKMMQ-YYLVAKQMSA-N -1 0 527.489 4.197 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408535884 572189828 /nfs/dbraw/zinc/18/98/28/572189828.db2.gz OWOFFCPBVOFFGX-CPNJWEJPSA-N -1 0 576.558 4.005 40 10 KICBRM CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408535992 572190261 /nfs/dbraw/zinc/19/02/61/572190261.db2.gz PKKLJSBNGVCWOD-WQLSENKSSA-N -1 0 540.139 4.333 40 10 KICBRM CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)c(C(=O)OCC)c1C ZINC000408535995 572190343 /nfs/dbraw/zinc/19/03/43/572190343.db2.gz VDBWDJKOEANSCL-GHRIWEEISA-N -1 0 521.551 4.142 40 10 KICBRM Cc1cc(S(N)(=O)=O)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408535999 572190307 /nfs/dbraw/zinc/19/03/07/572190307.db2.gz VDSNXDHXULJTQG-KGENOOAVSA-N -1 0 613.534 4.452 40 10 KICBRM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000408536058 572190215 /nfs/dbraw/zinc/19/02/15/572190215.db2.gz VMYGLHIDXDYXCD-HAVVHWLPSA-N -1 0 512.547 4.219 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408536169 572190289 /nfs/dbraw/zinc/19/02/89/572190289.db2.gz QCTUXIZANWOMDW-XDHOZWIPSA-N -1 0 514.490 4.008 40 10 KICBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 ZINC000408536250 572190762 /nfs/dbraw/zinc/19/07/62/572190762.db2.gz QRRIGQHXKHKCTR-JAIQZWGSSA-N -1 0 611.401 4.369 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408536404 572191046 /nfs/dbraw/zinc/19/10/46/572191046.db2.gz RIJULONOIYLEIX-CRHXMUGCSA-N -1 0 557.515 4.287 40 10 KICBRM COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000408536452 572191189 /nfs/dbraw/zinc/19/11/89/572191189.db2.gz RLYSBDDQCSRVDU-BOPFTXTBSA-N -1 0 599.365 4.500 40 10 KICBRM Cc1nn(-c2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408536506 572191078 /nfs/dbraw/zinc/19/10/78/572191078.db2.gz WPYYFRMDLWBMSJ-LDADJPATSA-N -1 0 508.376 4.447 40 10 KICBRM CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408536591 572191799 /nfs/dbraw/zinc/19/17/99/572191799.db2.gz WTOWBOYECRMOSJ-SDNWHVSQSA-N -1 0 541.406 4.073 40 10 KICBRM COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408536596 572191761 /nfs/dbraw/zinc/19/17/61/572191761.db2.gz SEJDDDNLQCXJKI-ZHZULCJRSA-N -1 0 568.323 4.185 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408536661 572191575 /nfs/dbraw/zinc/19/15/75/572191575.db2.gz SKAMRGVJWWNDRT-HYARGMPZSA-N -1 0 500.507 4.288 40 10 KICBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000408536696 572192146 /nfs/dbraw/zinc/19/21/46/572192146.db2.gz XJUVNJRHVFAYHV-FYJGNVAPSA-N -1 0 603.429 4.450 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)C1=O ZINC000408536724 572192079 /nfs/dbraw/zinc/19/20/79/572192079.db2.gz XOYRRPYNCMNDCN-OQKWZONESA-N -1 0 542.573 4.228 40 10 KICBRM CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4CC)C3=O)cc2)cc1 ZINC000408536728 572192188 /nfs/dbraw/zinc/19/21/88/572192188.db2.gz XPUXXVOQZDBZSO-HAVVHWLPSA-N -1 0 534.594 4.027 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408536810 572192152 /nfs/dbraw/zinc/19/21/52/572192152.db2.gz SNGHMADNMYYTDB-CPNJWEJPSA-N -1 0 521.323 4.343 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408536876 572192913 /nfs/dbraw/zinc/19/29/13/572192913.db2.gz SXIVRDUMWZJUAA-HMMYKYKNSA-N -1 0 500.507 4.288 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408536877 572192847 /nfs/dbraw/zinc/19/28/47/572192847.db2.gz SXWNMNLOODLRKK-RCCKNPSSSA-N -1 0 500.507 4.288 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408536882 572192860 /nfs/dbraw/zinc/19/28/60/572192860.db2.gz SYXWZIPLKUVIGX-AQTBWJFISA-N -1 0 566.320 4.252 40 10 KICBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408536944 572192872 /nfs/dbraw/zinc/19/28/72/572192872.db2.gz UCFWSOJXNFQKJJ-UYRXBGFRSA-N -1 0 583.294 4.085 40 10 KICBRM Cc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)cc1 ZINC000408536976 572192888 /nfs/dbraw/zinc/19/28/88/572192888.db2.gz YPGODLMSUNTEGB-KGENOOAVSA-N -1 0 569.437 4.446 40 10 KICBRM O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc2c(c1)OCO2 ZINC000408536991 572192841 /nfs/dbraw/zinc/19/28/41/572192841.db2.gz UGJVJAGKHMHGSD-YBEGLDIGSA-N -1 0 553.296 4.203 40 10 KICBRM CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408537005 572193425 /nfs/dbraw/zinc/19/34/25/572193425.db2.gz UIFKEPHNXYIGOM-AUWJEWJLSA-N -1 0 542.567 4.457 40 10 KICBRM COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408537011 572193337 /nfs/dbraw/zinc/19/33/37/572193337.db2.gz YTZHIIVHURYDAK-XMHGGMMESA-N -1 0 585.436 4.146 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408537029 572193435 /nfs/dbraw/zinc/19/34/35/572193435.db2.gz UKICARRKBNKIST-PXLXIMEGSA-N -1 0 500.507 4.288 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408537048 572193422 /nfs/dbraw/zinc/19/34/22/572193422.db2.gz UKTSTNLGIVTUSE-YBFXNURJSA-N -1 0 534.908 4.353 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408537071 572193215 /nfs/dbraw/zinc/19/32/15/572193215.db2.gz UMAJXRWMMAGQPH-MHWRWJLKSA-N -1 0 500.385 4.193 40 10 KICBRM CCCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 ZINC000408537102 572193383 /nfs/dbraw/zinc/19/33/83/572193383.db2.gz ZDGHILUCOARBQC-SFQUDFHCSA-N -1 0 500.349 4.212 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408537129 572193397 /nfs/dbraw/zinc/19/33/97/572193397.db2.gz UPGQAHCYRJTGIF-VIQQRITCSA-N -1 0 557.515 4.287 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537155 572193808 /nfs/dbraw/zinc/19/38/08/572193808.db2.gz URWPRCFYRCJQRC-QGOAFFKASA-N -1 0 519.441 4.018 40 10 KICBRM COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000408537156 572193827 /nfs/dbraw/zinc/19/38/27/572193827.db2.gz ZIQFWYZWESUROG-RCCKNPSSSA-N -1 0 548.621 4.308 40 10 KICBRM CCOc1cc(COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537203 572193671 /nfs/dbraw/zinc/19/36/71/572193671.db2.gz CSVOVSCHYHMABH-UHFFFAOYSA-N -1 0 502.523 4.001 40 10 KICBRM COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408537274 572193724 /nfs/dbraw/zinc/19/37/24/572193724.db2.gz UXEMDJCNZDPHOH-STZFKDTASA-N -1 0 551.349 4.352 40 10 KICBRM Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408537278 572193772 /nfs/dbraw/zinc/19/37/72/572193772.db2.gz UXZPQADVZTYJGO-ZHZULCJRSA-N -1 0 552.324 4.485 40 10 KICBRM COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408537295 572193742 /nfs/dbraw/zinc/19/37/42/572193742.db2.gz UYWADADOGIUQID-BKUYFWCQSA-N -1 0 551.349 4.352 40 10 KICBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408537322 572194384 /nfs/dbraw/zinc/19/43/84/572194384.db2.gz VGSVWEAPFULQFK-GRSHGNNSSA-N -1 0 565.332 4.072 40 10 KICBRM CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O ZINC000408537323 572194454 /nfs/dbraw/zinc/19/44/54/572194454.db2.gz VGXBXSYGEVJEEB-LCYFTJDESA-N -1 0 552.175 4.202 40 10 KICBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)C2=O)c1 ZINC000408537364 572194243 /nfs/dbraw/zinc/19/42/43/572194243.db2.gz VNDUQENVLOEAJN-UDWIEESQSA-N -1 0 551.349 4.352 40 10 KICBRM COc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408537382 572194373 /nfs/dbraw/zinc/19/43/73/572194373.db2.gz DHGUQLRQZLBNEP-UHFFFAOYSA-N -1 0 567.392 4.374 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000408537504 572194867 /nfs/dbraw/zinc/19/48/67/572194867.db2.gz VTFNEMRFOGECBF-QGOAFFKASA-N -1 0 506.898 4.243 40 10 KICBRM CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(OC)c2)C1=O ZINC000408537574 572195086 /nfs/dbraw/zinc/19/50/86/572195086.db2.gz WIXNGYFIRKKXFY-NVNXTCNLSA-N -1 0 552.175 4.202 40 10 KICBRM COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC ZINC000408537668 572195727 /nfs/dbraw/zinc/19/57/27/572195727.db2.gz WOXPTVUOOZLYFM-UNOMPAQXSA-N -1 0 581.375 4.361 40 10 KICBRM COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000408537676 572195513 /nfs/dbraw/zinc/19/55/13/572195513.db2.gz WPTDCXADADRHOY-UNOMPAQXSA-N -1 0 536.924 4.251 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408537700 572195777 /nfs/dbraw/zinc/19/57/77/572195777.db2.gz WRSDNINJYNUBAX-VLAPBQICSA-N -1 0 527.489 4.197 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408537716 572195686 /nfs/dbraw/zinc/19/56/86/572195686.db2.gz WSSSDJHQBZHPSC-YBFXNURJSA-N -1 0 566.950 4.260 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537719 572195718 /nfs/dbraw/zinc/19/57/18/572195718.db2.gz WTDPYTCFDJBRQS-KGENOOAVSA-N -1 0 515.478 4.188 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408537774 572196204 /nfs/dbraw/zinc/19/62/04/572196204.db2.gz XEAXLIRYRLSAFD-DEDYPNTBSA-N -1 0 551.349 4.352 40 10 KICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000408537795 572196092 /nfs/dbraw/zinc/19/60/92/572196092.db2.gz XIBLTXNDJOJZOV-WQRHYEAKSA-N -1 0 549.333 4.372 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408537803 572196242 /nfs/dbraw/zinc/19/62/42/572196242.db2.gz XJJUZQKBEVDJHB-DEDYPNTBSA-N -1 0 582.350 4.494 40 10 KICBRM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccccc3)C2=O)c1 ZINC000408537825 572196143 /nfs/dbraw/zinc/19/61/43/572196143.db2.gz XLJSTSWTOVPLFS-MOSHPQCFSA-N -1 0 521.323 4.343 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(=O)c2ccc(Br)cc2)C1=O ZINC000408537996 572196567 /nfs/dbraw/zinc/19/65/67/572196567.db2.gz YGQZHJSTDNQOCY-JXAWBTAJSA-N -1 0 521.323 4.343 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408538001 572196416 /nfs/dbraw/zinc/19/64/16/572196416.db2.gz YILNSUNFPIQBOI-UDWIEESQSA-N -1 0 514.490 4.008 40 10 KICBRM Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000408538008 572196497 /nfs/dbraw/zinc/19/64/97/572196497.db2.gz YKGDIDVSXDXROI-ZHZULCJRSA-N -1 0 552.324 4.485 40 10 KICBRM CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000408538026 572196864 /nfs/dbraw/zinc/19/68/64/572196864.db2.gz YNZXBUAQZRXGMI-DHDCSXOGSA-N -1 0 552.175 4.202 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408538048 572197094 /nfs/dbraw/zinc/19/70/94/572197094.db2.gz YRIVVFOZLFNEDB-GIJQJNRQSA-N -1 0 554.433 4.328 40 10 KICBRM CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000408538158 572196913 /nfs/dbraw/zinc/19/69/13/572196913.db2.gz YXCDKGAYZZRWKO-AUWJEWJLSA-N -1 0 634.018 4.408 40 10 KICBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccc(Br)cc1 ZINC000408538184 572196855 /nfs/dbraw/zinc/19/68/55/572196855.db2.gz ZAUWAUBVSVNBPO-LGMDPLHJSA-N -1 0 509.287 4.474 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408538205 572197428 /nfs/dbraw/zinc/19/74/28/572197428.db2.gz ZEDWCPBIIHTCDM-YBFXNURJSA-N -1 0 611.401 4.369 40 10 KICBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000408538214 572197425 /nfs/dbraw/zinc/19/74/25/572197425.db2.gz ZGDFJGVHRVQZJV-BOPFTXTBSA-N -1 0 565.332 4.072 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408538234 572197421 /nfs/dbraw/zinc/19/74/21/572197421.db2.gz ZKMYCXHFMBPLKJ-YBFXNURJSA-N -1 0 626.359 4.304 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408538235 572197620 /nfs/dbraw/zinc/19/76/20/572197620.db2.gz ZKXFBTMHBMBHFP-FYJGNVAPSA-N -1 0 576.558 4.005 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408538240 572197555 /nfs/dbraw/zinc/19/75/55/572197555.db2.gz ZMQHNPLYTICHBH-BAWSUDPCSA-N -1 0 557.515 4.287 40 10 KICBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408538280 572197568 /nfs/dbraw/zinc/19/75/68/572197568.db2.gz ZYFRPODZSFCKDZ-UNOMPAQXSA-N -1 0 525.395 4.499 40 10 KICBRM COc1cc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538303 572197502 /nfs/dbraw/zinc/19/75/02/572197502.db2.gz KPRVCQSIQWHWAL-UHFFFAOYSA-N -1 0 522.941 4.265 40 10 KICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408538392 572198191 /nfs/dbraw/zinc/19/81/91/572198191.db2.gz MDTDEIJWBJXOKK-JLPGSUDCSA-N -1 0 514.582 4.451 40 10 KICBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)ccc1Br ZINC000408539141 572200906 /nfs/dbraw/zinc/20/09/06/572200906.db2.gz UDVULGXNDRCSLP-CAPFRKAQSA-N -1 0 616.476 4.245 40 10 KICBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408539379 572202082 /nfs/dbraw/zinc/20/20/82/572202082.db2.gz WEYVGCOKFTVRRD-UHFFFAOYSA-N -1 0 516.550 4.391 40 10 KICBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539535 572202442 /nfs/dbraw/zinc/20/24/42/572202442.db2.gz XCFWMRSKNODETH-UHFFFAOYSA-N -1 0 502.523 4.001 40 10 KICBRM COc1cc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408539763 572203373 /nfs/dbraw/zinc/20/33/73/572203373.db2.gz YRNNRJXGVMWMGI-UHFFFAOYSA-N -1 0 537.366 4.365 40 10 KICBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4OC)C3=O)c3ccccc32)c1 ZINC000408540957 572207598 /nfs/dbraw/zinc/20/75/98/572207598.db2.gz AAAFJITWMJTHLX-OEAKJJBVSA-N -1 0 539.544 4.160 40 10 KICBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)c3ccccc32)c1 ZINC000408542073 572209608 /nfs/dbraw/zinc/20/96/08/572209608.db2.gz GTSDKKSOUHOCEU-BUVRLJJBSA-N -1 0 509.518 4.151 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542104 572209618 /nfs/dbraw/zinc/20/96/18/572209618.db2.gz HBHAWAURRWSQAP-BUVRLJJBSA-N -1 0 583.597 4.295 40 10 KICBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(OC)cc4)C3=O)c3ccccc32)c1 ZINC000408544454 572216002 /nfs/dbraw/zinc/21/60/02/572216002.db2.gz WDACDLIWAJIGDK-BUVRLJJBSA-N -1 0 525.586 4.316 40 10 KICBRM COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 ZINC000408544911 572216807 /nfs/dbraw/zinc/21/68/07/572216807.db2.gz WABLSNNSXUKHPK-KGENOOAVSA-N -1 0 513.550 4.447 40 10 KICBRM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408545247 572218281 /nfs/dbraw/zinc/21/82/81/572218281.db2.gz WXBDNRPDHBEKIB-HYARGMPZSA-N -1 0 526.636 4.186 40 10 KICBRM COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)CC2)cc1 ZINC000408547435 572225776 /nfs/dbraw/zinc/22/57/76/572225776.db2.gz JLJRUKLTGGFEPD-UHFFFAOYSA-N -1 0 500.020 4.420 40 10 KICBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2I)C1=O ZINC000408549921 572232942 /nfs/dbraw/zinc/23/29/42/572232942.db2.gz BPLJAZWCIUAJGH-UKTHLTGXSA-N -1 0 511.113 4.029 40 10 KICBRM O=C(COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408550011 572232688 /nfs/dbraw/zinc/23/26/88/572232688.db2.gz APHDBPRCVVDUPI-UHFFFAOYSA-N -1 0 503.125 4.067 40 10 KICBRM O=C(COc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550044 572233323 /nfs/dbraw/zinc/23/33/23/572233323.db2.gz AWZGIWUWUFKJII-UHFFFAOYSA-N -1 0 592.027 4.285 40 10 KICBRM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2I)C(=O)[N-]C1=S ZINC000408550317 572233871 /nfs/dbraw/zinc/23/38/71/572233871.db2.gz FVNAXNJAVAXYPZ-UKTHLTGXSA-N -1 0 527.181 4.193 40 10 KICBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551392 572236122 /nfs/dbraw/zinc/23/61/22/572236122.db2.gz KPUBKYPPJDIBKI-ZDLGFXPLSA-N -1 0 556.358 4.392 40 10 KICBRM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552082 572237716 /nfs/dbraw/zinc/23/77/16/572237716.db2.gz HDSLIYLZTXVRSK-ODLFYWEKSA-N -1 0 526.332 4.383 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 ZINC000408552159 572237735 /nfs/dbraw/zinc/23/77/35/572237735.db2.gz HRRGUVQMELSVHQ-NDENLUEZSA-N -1 0 568.369 4.464 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408552605 572238581 /nfs/dbraw/zinc/23/85/81/572238581.db2.gz RKZQDBMKQXFXSV-ODLFYWEKSA-N -1 0 598.395 4.473 40 10 KICBRM O=C(COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552909 572239637 /nfs/dbraw/zinc/23/96/37/572239637.db2.gz LPYVADPCNDDJBQ-WQRHYEAKSA-N -1 0 526.332 4.383 40 10 KICBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1I ZINC000408553434 572240747 /nfs/dbraw/zinc/24/07/47/572240747.db2.gz ZAQANOOMGCSVSS-YRNVUSSQSA-N -1 0 503.148 4.429 40 10 KICBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1I ZINC000408553558 572240967 /nfs/dbraw/zinc/24/09/67/572240967.db2.gz ZXJXCBQUCYBXAB-CSKARUKUSA-N -1 0 503.148 4.429 40 10 KICBRM O=C(COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408554019 572241397 /nfs/dbraw/zinc/24/13/97/572241397.db2.gz YGRQKIUKGFTNJO-ODLFYWEKSA-N -1 0 526.332 4.383 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1 ZINC000408554093 572241412 /nfs/dbraw/zinc/24/14/12/572241412.db2.gz ZBAKERSDPUKTKL-NDENLUEZSA-N -1 0 568.369 4.464 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408554254 572241714 /nfs/dbraw/zinc/24/17/14/572241714.db2.gz RAWCNNZEWWTZKP-UNOMPAQXSA-N -1 0 568.369 4.464 40 10 KICBRM Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408587897 572266724 /nfs/dbraw/zinc/26/67/24/572266724.db2.gz AMNNNKKGOFMRSU-DEDYPNTBSA-N -1 0 518.595 4.264 40 10 KICBRM Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408596539 572270949 /nfs/dbraw/zinc/27/09/49/572270949.db2.gz ZXZWBELXAFCEHB-WSDLNYQXSA-N -1 0 524.371 4.413 40 10 KICBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1 ZINC000408632286 572288599 /nfs/dbraw/zinc/28/85/99/572288599.db2.gz PRESRJSKYGWEGS-UDWIEESQSA-N -1 0 530.994 4.012 40 10 KICBRM CN1CCN(c2ccc(/C=C(/Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000408632618 572288976 /nfs/dbraw/zinc/28/89/76/572288976.db2.gz FTANKNSRFOXUAV-CPNJWEJPSA-N -1 0 501.952 4.268 40 10 KICBRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1 ZINC000408633027 572289685 /nfs/dbraw/zinc/28/96/85/572289685.db2.gz VBDVQRAMQNPIII-YBFXNURJSA-N -1 0 517.951 4.096 40 10 KICBRM CCn1c(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633637 572290418 /nfs/dbraw/zinc/29/04/18/572290418.db2.gz OHRONILICUCEFD-RCCKNPSSSA-N -1 0 529.022 4.496 40 10 KICBRM CN1CCN(c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000408634095 572291007 /nfs/dbraw/zinc/29/10/07/572291007.db2.gz OWQOEKFILMEINI-CPNJWEJPSA-N -1 0 500.968 4.003 40 10 KICBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])o1 ZINC000408634457 572291508 /nfs/dbraw/zinc/29/15/08/572291508.db2.gz UVWLOWOEOQHJPN-YBFXNURJSA-N -1 0 518.935 4.361 40 10 KICBRM COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])o1 ZINC000408634506 572291476 /nfs/dbraw/zinc/29/14/76/572291476.db2.gz VNSJLVCKKZPZPB-UDWIEESQSA-N -1 0 531.978 4.276 40 10 KICBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1I ZINC000408742734 1064272151 /nfs/dbraw/zinc/27/21/51/1064272151.db2.gz SKFIMHHZOHCSOO-MDWZMJQESA-N -1 0 557.207 4.202 40 10 KICBRM CCOC(=O)COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408768618 1064290740 /nfs/dbraw/zinc/29/07/40/1064290740.db2.gz YZCOAPIWWIAPTQ-VGOFMYFVSA-N -1 0 680.620 4.158 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC ZINC000408769169 1064290527 /nfs/dbraw/zinc/29/05/27/1064290527.db2.gz PKGOQHMOWMMHGQ-MHWRWJLKSA-N -1 0 520.323 4.063 40 10 KICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408769283 1064290705 /nfs/dbraw/zinc/29/07/05/1064290705.db2.gz QKILSDPAVOMYID-BUVRLJJBSA-N -1 0 504.974 4.251 40 10 KICBRM CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408769335 1064290963 /nfs/dbraw/zinc/29/09/63/1064290963.db2.gz RJDCKADVQXIZAA-CXUHLZMHSA-N -1 0 551.777 4.110 40 10 KICBRM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1I ZINC000408771797 1064291004 /nfs/dbraw/zinc/29/10/04/1064291004.db2.gz IEBNJFWQSMAJRW-RIYZIHGNSA-N -1 0 602.166 4.269 40 10 KICBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1I ZINC000408772290 1064289753 /nfs/dbraw/zinc/28/97/53/1064289753.db2.gz NSCMDCGONSWBBD-NTUHNPAUSA-N -1 0 541.139 4.037 40 10 KICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408772772 1064290174 /nfs/dbraw/zinc/29/01/74/1064290174.db2.gz FPQGJFYNCWCMDU-YZSQISJMSA-N -1 0 514.651 4.379 40 10 KICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408773634 1064289604 /nfs/dbraw/zinc/28/96/04/1064289604.db2.gz SIJNCWYSZPSHGF-LFVJCYFKSA-N -1 0 504.974 4.251 40 10 KICBRM CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408776159 1064290306 /nfs/dbraw/zinc/29/03/06/1064290306.db2.gz MSSSAPAUWUSGKU-CXUHLZMHSA-N -1 0 507.326 4.000 40 10 KICBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408776967 1064290221 /nfs/dbraw/zinc/29/02/21/1064290221.db2.gz SPBGMVZUNZESEA-NLRVBDNBSA-N -1 0 530.650 4.161 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC ZINC000408778232 1064290812 /nfs/dbraw/zinc/29/08/12/1064290812.db2.gz RIUCHGWMOWGQPW-LICLKQGHSA-N -1 0 534.350 4.372 40 10 KICBRM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC ZINC000408778552 1064290206 /nfs/dbraw/zinc/29/02/06/1064290206.db2.gz HCEVBKCWIVPZKW-WUXMJOGZSA-N -1 0 586.766 4.036 40 10 KICBRM COC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408778742 1064290040 /nfs/dbraw/zinc/29/00/40/1064290040.db2.gz YATGFPFIWNOTHU-AWNIVKPZSA-N -1 0 572.593 4.083 40 10 KICBRM CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408779164 1064291024 /nfs/dbraw/zinc/29/10/24/1064291024.db2.gz AXITWWYXXRJBFH-VGOFMYFVSA-N -1 0 633.620 4.315 40 10 KICBRM COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I ZINC000408780273 1064290255 /nfs/dbraw/zinc/29/02/55/1064290255.db2.gz AJIVYXJEVJGYEJ-VGOFMYFVSA-N -1 0 602.166 4.188 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCC ZINC000408781197 1064289808 /nfs/dbraw/zinc/28/98/08/1064289808.db2.gz ANKLMNPBEOETNC-NTUHNPAUSA-N -1 0 600.793 4.426 40 10 KICBRM COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408781607 1064292284 /nfs/dbraw/zinc/29/22/84/1064292284.db2.gz CFIBHMZRIUVJTJ-WUXMJOGZSA-N -1 0 608.557 4.224 40 10 KICBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCC(=O)[O-])c(I)c1 ZINC000408782001 1064292257 /nfs/dbraw/zinc/29/22/57/1064292257.db2.gz UZFFGJVNACUAGS-VGOFMYFVSA-N -1 0 588.139 4.165 40 10 KICBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(OCC)c4)C3=O)c2C)cc1 ZINC000408782767 1064292554 /nfs/dbraw/zinc/29/25/54/1064292554.db2.gz YZGGXFNRLZJXJY-BUVRLJJBSA-N -1 0 501.539 4.336 40 10 KICBRM CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408783208 1064292431 /nfs/dbraw/zinc/29/24/31/1064292431.db2.gz MEJMOAHOGPTYOI-VGOFMYFVSA-N -1 0 542.169 4.364 40 10 KICBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000408785179 1064291629 /nfs/dbraw/zinc/29/16/29/1064291629.db2.gz ZHAHBRZXZIWMDL-HZHRSRAPSA-N -1 0 503.580 4.111 40 10 KICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408785661 1064291687 /nfs/dbraw/zinc/29/16/87/1064291687.db2.gz ALXIPXMZVDCPAF-BUVRLJJBSA-N -1 0 549.425 4.360 40 10 KICBRM CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408786932 1064291432 /nfs/dbraw/zinc/29/14/32/1064291432.db2.gz YAFYVTJKMLUBMF-YZSQISJMSA-N -1 0 530.650 4.161 40 10 KICBRM CCCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408787321 1064291339 /nfs/dbraw/zinc/29/13/39/1064291339.db2.gz XOWGUUKKGRTZIZ-LICLKQGHSA-N -1 0 534.350 4.372 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000408795273 1064291666 /nfs/dbraw/zinc/29/16/66/1064291666.db2.gz BUBMUROEJYPWGW-VGOFMYFVSA-N -1 0 526.714 4.018 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408797819 1064292100 /nfs/dbraw/zinc/29/21/00/1064292100.db2.gz HCLKZSIVSYJGDW-LPYMAVHISA-N -1 0 520.925 4.381 40 10 KICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408797974 1064291534 /nfs/dbraw/zinc/29/15/34/1064291534.db2.gz HKGARVBKDXWDNQ-YDZHTSKRSA-N -1 0 501.495 4.466 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCC ZINC000408798316 1064291604 /nfs/dbraw/zinc/29/16/04/1064291604.db2.gz HQNZLWXXZZHTBE-MHWRWJLKSA-N -1 0 520.323 4.063 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408800219 1064292343 /nfs/dbraw/zinc/29/23/43/1064292343.db2.gz NWEKRNUJWGHCPR-HYARGMPZSA-N -1 0 500.507 4.036 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408801143 1064292031 /nfs/dbraw/zinc/29/20/31/1064292031.db2.gz UFOSBEVXUAQSLN-FYJGNVAPSA-N -1 0 501.495 4.466 40 10 KICBRM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC ZINC000408801735 1064291955 /nfs/dbraw/zinc/29/19/55/1064291955.db2.gz BGTASSFXOYICML-LDADJPATSA-N -1 0 500.935 4.371 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C ZINC000408801756 1064292060 /nfs/dbraw/zinc/29/20/60/1064292060.db2.gz BKYIIJQFYGMOSF-CXUHLZMHSA-N -1 0 534.350 4.370 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408802101 1064292162 /nfs/dbraw/zinc/29/21/62/1064292162.db2.gz CZEZEABLHOKXLP-MHWRWJLKSA-N -1 0 520.323 4.144 40 10 KICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408806890 1064292392 /nfs/dbraw/zinc/29/23/92/1064292392.db2.gz NNVKNXMMYJFYRA-FYJGNVAPSA-N -1 0 501.495 4.466 40 10 KICBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408807552 1064291711 /nfs/dbraw/zinc/29/17/11/1064291711.db2.gz DCJBPROYAYYJEX-HZHRSRAPSA-N -1 0 514.534 4.426 40 10 KICBRM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408812421 1064273392 /nfs/dbraw/zinc/27/33/92/1064273392.db2.gz MXJIPLFODBOFBS-MDWZMJQESA-N -1 0 540.741 4.327 40 10 KICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408812834 1064273310 /nfs/dbraw/zinc/27/33/10/1064273310.db2.gz XICCDALUUSVVEH-LPYMAVHISA-N -1 0 501.495 4.466 40 10 KICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408851390 1064273199 /nfs/dbraw/zinc/27/31/99/1064273199.db2.gz JSODALFCWQWKMN-RGVLZGJSSA-N -1 0 504.470 4.199 40 10 KICBRM COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000408851953 195491902 /nfs/dbraw/zinc/49/19/02/195491902.db2.gz ODZPDYRMBMQGNH-XYOKQWHBSA-N -1 0 544.210 4.139 40 10 KICBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C2=O)c1 ZINC000408853150 195495099 /nfs/dbraw/zinc/49/50/99/195495099.db2.gz MGOMSGDGAAAGKL-CIAFOILYSA-N -1 0 560.559 4.467 40 10 KICBRM CCCOc1c(I)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408867425 1064274188 /nfs/dbraw/zinc/27/41/88/1064274188.db2.gz KSAFJCNCJXUYPE-WJDWOHSUSA-N -1 0 536.391 4.310 40 10 KICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3Br)C2=O)cc1 ZINC000408890212 1064273942 /nfs/dbraw/zinc/27/39/42/1064273942.db2.gz PSOHLXPTSWVNIW-FYJGNVAPSA-N -1 0 565.376 4.490 40 10 KICBRM O=C1[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1 ZINC000408895848 1064274516 /nfs/dbraw/zinc/27/45/16/1064274516.db2.gz OHJICMADASCYBQ-UHFFFAOYSA-N -1 0 514.557 4.193 40 10 KICBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1I ZINC000408905120 1064274081 /nfs/dbraw/zinc/27/40/81/1064274081.db2.gz TZDHUVWNIQCQTG-RIYZIHGNSA-N -1 0 557.207 4.284 40 10 KICBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000409225928 1064277285 /nfs/dbraw/zinc/27/72/85/1064277285.db2.gz TVAXSEHHDLOSGB-XQNSMLJCSA-N -1 0 543.576 4.476 40 10 KICBRM O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409399805 1064277092 /nfs/dbraw/zinc/27/70/92/1064277092.db2.gz MQPRGTLWORAJFW-UNOMPAQXSA-N -1 0 510.319 4.067 40 10 KICBRM