smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000001093431 551607282 /nfs/dbraw/zinc/60/72/82/551607282.db2.gz PEDRZLPFYMVTBK-ZDLGFXPLSA-N -1 2 541.343 4.946 40 10 KJCBLM CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000008974134 553195798 /nfs/dbraw/zinc/19/57/98/553195798.db2.gz NMVYLYFHYOYPMB-KRWDZBQOSA-N -1 2 501.504 4.574 40 10 KJCBLM CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000008974136 553195750 /nfs/dbraw/zinc/19/57/50/553195750.db2.gz NMVYLYFHYOYPMB-QGZVFWFLSA-N -1 2 501.504 4.574 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000009310879 553239108 /nfs/dbraw/zinc/23/91/08/553239108.db2.gz NQGZKFODXWQMOB-ZDLGFXPLSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000096585813 553756441 /nfs/dbraw/zinc/75/64/41/553756441.db2.gz QCBHAWLEZVMIGI-HMAPJEAMSA-N -1 2 516.506 4.878 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000100159853 554234066 /nfs/dbraw/zinc/23/40/66/554234066.db2.gz GAKNSHXKUDPMAL-BKUYFWCQSA-N -1 2 549.377 4.955 40 10 KJCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000100201582 554247007 /nfs/dbraw/zinc/24/70/07/554247007.db2.gz AMWBBSFCGUFOAX-NDENLUEZSA-N -1 2 565.376 4.710 40 10 KJCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000102133735 554887568 /nfs/dbraw/zinc/88/75/68/554887568.db2.gz ICKFKSTZNUGPKY-NDENLUEZSA-N -1 2 565.376 4.710 40 10 KJCBLM O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000103793108 555481596 /nfs/dbraw/zinc/48/15/96/555481596.db2.gz BZKVTPHSWSHNDZ-LSHDLFTRSA-N -1 2 534.996 4.938 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Cl)cc1 ZINC000103843850 571362770 /nfs/dbraw/zinc/36/27/70/571362770.db2.gz OEYXRSNYUYKAIB-REZTVBANSA-N -1 2 555.326 4.666 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000103843994 571362835 /nfs/dbraw/zinc/36/28/35/571362835.db2.gz AIBBNVRHVISJEO-DJKKODMXSA-N -1 2 609.385 4.520 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103849894 571364348 /nfs/dbraw/zinc/36/43/48/571364348.db2.gz CLDFJPLJHJRPNG-VXLYETTFSA-N -1 2 569.339 4.540 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103850031 571364251 /nfs/dbraw/zinc/36/42/51/571364251.db2.gz RGEAGUKEGVMPKD-VXLYETTFSA-N -1 2 569.339 4.540 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103850298 571364447 /nfs/dbraw/zinc/36/44/47/571364447.db2.gz PJMPYZFNEIUIOB-RGVLZGJSSA-N -1 2 538.915 4.821 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103850375 571364435 /nfs/dbraw/zinc/36/44/35/571364435.db2.gz ZXKWUIMEEXMJOJ-RGVLZGJSSA-N -1 2 583.366 4.931 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103850542 571364589 /nfs/dbraw/zinc/36/45/89/571364589.db2.gz DPPYLVQKVWAIRN-RGVLZGJSSA-N -1 2 583.366 4.931 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000103850904 571364740 /nfs/dbraw/zinc/36/47/40/571364740.db2.gz IHEOPTVNWUVKMY-UDWIEESQSA-N -1 2 539.313 4.532 40 10 KJCBLM O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)ccc1Cl ZINC000103858039 571366394 /nfs/dbraw/zinc/36/63/94/571366394.db2.gz IBKVLLPUHXDOQS-YBEGLDIGSA-N -1 2 515.703 4.727 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103858929 571366922 /nfs/dbraw/zinc/36/69/22/571366922.db2.gz IMCDRAFVNDJAQQ-FYJGNVAPSA-N -1 2 565.376 4.791 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000103858965 571366890 /nfs/dbraw/zinc/36/68/90/571366890.db2.gz SVSUMEDPNQJMJG-VXLYETTFSA-N -1 2 542.773 4.875 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000103858980 571366892 /nfs/dbraw/zinc/36/68/92/571366892.db2.gz GOGLJWKHZILFRE-UDWIEESQSA-N -1 2 522.355 4.530 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000103859011 571366894 /nfs/dbraw/zinc/36/68/94/571366894.db2.gz BBSNYVBBXLVBRN-RGVLZGJSSA-N -1 2 522.355 4.530 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000103859031 571366864 /nfs/dbraw/zinc/36/68/64/571366864.db2.gz ZCULLDXNHOWQIC-VCHYOVAHSA-N -1 2 542.773 4.875 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000103859078 571366982 /nfs/dbraw/zinc/36/69/82/571366982.db2.gz LUBKBQHJPXMULF-UDWIEESQSA-N -1 2 522.355 4.530 40 10 KJCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000103859119 571366862 /nfs/dbraw/zinc/36/68/62/571366862.db2.gz SFZAKBVSAKFGQV-MHWRWJLKSA-N -1 2 515.703 4.727 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000103860060 571367412 /nfs/dbraw/zinc/36/74/12/571367412.db2.gz NDBWYNFAPZKATD-DJKKODMXSA-N -1 2 542.773 4.875 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000103860079 571367384 /nfs/dbraw/zinc/36/73/84/571367384.db2.gz SQRANPJBBADBKG-RGVLZGJSSA-N -1 2 522.355 4.530 40 10 KJCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)c1 ZINC000103860089 571367393 /nfs/dbraw/zinc/36/73/93/571367393.db2.gz OEEVLXGHRNDGAQ-MHWRWJLKSA-N -1 2 515.703 4.727 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103866919 571368152 /nfs/dbraw/zinc/36/81/52/571368152.db2.gz FVQPAESDPIGLOD-UDWIEESQSA-N -1 2 565.376 4.710 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103869207 571368073 /nfs/dbraw/zinc/36/80/73/571368073.db2.gz YNXWWKAMOLYTCC-VCHYOVAHSA-N -1 2 541.343 4.946 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103869970 571368264 /nfs/dbraw/zinc/36/82/64/571368264.db2.gz JGEUCCKBMIBMDC-VCHYOVAHSA-N -1 2 541.343 4.946 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103873759 571368380 /nfs/dbraw/zinc/36/83/80/571368380.db2.gz KLPNRUZJUNCHPV-GZTJUZNOSA-N -1 2 541.343 4.946 40 10 KJCBLM CC(Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000103917282 571369587 /nfs/dbraw/zinc/36/95/87/571369587.db2.gz BQMVCMLHJWMEPY-QNGOZBTKSA-N -1 2 522.612 4.811 40 10 KJCBLM CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000103919128 571369607 /nfs/dbraw/zinc/36/96/07/571369607.db2.gz GWOCRZRMEYYYHC-QJOMJCCJSA-N -1 2 538.586 4.889 40 10 KJCBLM CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000103919128 571369606 /nfs/dbraw/zinc/36/96/06/571369606.db2.gz GWOCRZRMEYYYHC-QJOMJCCJSA-N -1 2 538.586 4.889 40 10 KJCBLM CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919175 571369603 /nfs/dbraw/zinc/36/96/03/571369603.db2.gz MQWWHRNVBDRHOZ-KQWNVCNZSA-N -1 2 511.007 4.820 40 10 KJCBLM CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919180 571369530 /nfs/dbraw/zinc/36/95/30/571369530.db2.gz QTGCZBHKRLEFNH-JLPGSUDCSA-N -1 2 541.033 4.828 40 10 KJCBLM CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919183 571369553 /nfs/dbraw/zinc/36/95/53/571369553.db2.gz JHNDOGITOQLVQM-HAHDFKILSA-N -1 2 528.997 4.959 40 10 KJCBLM CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919195 571369751 /nfs/dbraw/zinc/36/97/51/571369751.db2.gz ZZBFUMLNCCXMBY-HAHDFKILSA-N -1 2 556.004 4.728 40 10 KJCBLM O=c1c(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000104240900 571377725 /nfs/dbraw/zinc/37/77/25/571377725.db2.gz RQQJEJACQVDQIX-FLWNBWAVSA-N -1 2 556.629 4.700 40 10 KJCBLM O=c1c(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000104240907 571377694 /nfs/dbraw/zinc/37/76/94/571377694.db2.gz RQQJEJACQVDQIX-QVIHXGFCSA-N -1 2 556.629 4.700 40 10 KJCBLM CCCC1=NN(c2ccc(OC)cc2)C(=O)C1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112229989 571433988 /nfs/dbraw/zinc/43/39/88/571433988.db2.gz CJXCOUFMHJTNHH-MOHJPFBDSA-N -1 2 523.615 4.990 40 10 KJCBLM CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112229989 571433986 /nfs/dbraw/zinc/43/39/86/571433986.db2.gz CJXCOUFMHJTNHH-MOHJPFBDSA-N -1 2 523.615 4.990 40 10 KJCBLM Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000112246092 571435849 /nfs/dbraw/zinc/43/58/49/571435849.db2.gz XCTUXZPYBWMLPQ-XDHOZWIPSA-N -1 2 582.350 4.543 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164384002 571546850 /nfs/dbraw/zinc/54/68/50/571546850.db2.gz CMWIWHVBKUTNSV-RGVLZGJSSA-N -1 2 630.366 4.773 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164454725 571547904 /nfs/dbraw/zinc/54/79/04/571547904.db2.gz QCHIBVLJNFIQSO-YBFXNURJSA-N -1 2 647.219 4.997 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000164477575 571548836 /nfs/dbraw/zinc/54/88/36/571548836.db2.gz COVPRMNBMQULKY-VXLYETTFSA-N -1 2 647.219 4.997 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000208471070 571574453 /nfs/dbraw/zinc/57/44/53/571574453.db2.gz AMWBBSFCGUFOAX-UDWIEESQSA-N -1 2 565.376 4.710 40 10 KJCBLM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)o1 ZINC000408542018 572209710 /nfs/dbraw/zinc/20/97/10/572209710.db2.gz JCLGZSLLIFBDPZ-RQZCQDPDSA-N -1 2 524.316 4.954 40 10 KJCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O ZINC000408543252 572212250 /nfs/dbraw/zinc/21/22/50/572212250.db2.gz OLJZUJHUCKNSDJ-YBFXNURJSA-N -1 2 548.349 4.718 40 10 KJCBLM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)o1 ZINC000408544553 572215841 /nfs/dbraw/zinc/21/58/41/572215841.db2.gz USKYEQAVADXIAY-MHWRWJLKSA-N -1 2 524.316 4.954 40 10 KJCBLM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)c3ccccc32)o1 ZINC000408545294 572218361 /nfs/dbraw/zinc/21/83/61/572218361.db2.gz XMLQEZIZPPXPEZ-RQZCQDPDSA-N -1 2 524.316 4.954 40 10 KJCBLM O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)cc(Cl)c1[O-] ZINC000408721844 1066561393 /nfs/dbraw/zinc/56/13/93/1066561393.db2.gz AJTDKAQAJQDAMQ-ONNFQVAWSA-N -1 2 506.592 4.946 40 10 KJCBLM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)C(=O)[N-]C1=S ZINC000408740808 1066575747 /nfs/dbraw/zinc/57/57/47/1066575747.db2.gz IEZLJUARKWYLEG-WUXMJOGZSA-N -1 2 575.076 4.819 40 10 KJCBLM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)c2-c2ccccc2)cc1 ZINC000408740818 1066575901 /nfs/dbraw/zinc/57/59/01/1066575901.db2.gz MXHNDSZWYXYTNL-UHFFFAOYSA-N -1 2 505.530 4.737 40 10 KJCBLM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)c2-c2ccccc2)cc1 ZINC000408740818 1066575896 /nfs/dbraw/zinc/57/58/96/1066575896.db2.gz MXHNDSZWYXYTNL-UHFFFAOYSA-N -1 2 505.530 4.737 40 10 KJCBLM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)NC1=S ZINC000408742039 1066575245 /nfs/dbraw/zinc/57/52/45/1066575245.db2.gz OXWIBSYUNVXOFS-SDQBBNPISA-N -1 2 530.625 4.710 40 10 KJCBLM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)[N-]C1=S ZINC000408742039 1066575239 /nfs/dbraw/zinc/57/52/39/1066575239.db2.gz OXWIBSYUNVXOFS-SDQBBNPISA-N -1 2 530.625 4.710 40 10 KJCBLM O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1Cl ZINC000408742807 1066574297 /nfs/dbraw/zinc/57/42/97/1066574297.db2.gz SVLLXOGCVNCEMJ-YBEGLDIGSA-N -1 2 515.703 4.727 40 10 KJCBLM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000408742890 1066573845 /nfs/dbraw/zinc/57/38/45/1066573845.db2.gz TZBOVGVEBFKBCC-LFYBBSHMSA-N -1 2 561.049 4.511 40 10 KJCBLM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)NC1=S ZINC000408743104 1066573719 /nfs/dbraw/zinc/57/37/19/1066573719.db2.gz UPZJLHBBKKQIHX-SDQBBNPISA-N -1 2 530.625 4.710 40 10 KJCBLM O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl ZINC000408743118 1066573568 /nfs/dbraw/zinc/57/35/68/1066573568.db2.gz ZJQJZCVHSUKMOV-YBEGLDIGSA-N -1 2 515.703 4.727 40 10 KJCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)ccc1Br ZINC000408753590 1066579144 /nfs/dbraw/zinc/57/91/44/1066579144.db2.gz NOOBQQNZWZQWEM-VZUCSPMQSA-N -1 2 559.008 4.655 40 10 KJCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)ccc1Br ZINC000408756091 1066577343 /nfs/dbraw/zinc/57/73/43/1066577343.db2.gz QUPGADCLMAZCPL-WOJGMQOQSA-N -1 2 509.312 4.691 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408756972 1066576862 /nfs/dbraw/zinc/57/68/62/1066576862.db2.gz YRKGVWBNZGTZJL-UDWIEESQSA-N -1 2 522.355 4.530 40 10 KJCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408757170 1066576946 /nfs/dbraw/zinc/57/69/46/1066576946.db2.gz VFUSHEIDYOWUFP-ZDLGFXPLSA-N -1 2 541.343 4.946 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408758867 1066220218 /nfs/dbraw/zinc/22/02/18/1066220218.db2.gz SUZLVLBOMSYESN-UDWIEESQSA-N -1 2 536.382 4.838 40 10 KJCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)ccc1Br ZINC000408760082 1066584398 /nfs/dbraw/zinc/58/43/98/1066584398.db2.gz RFTFZQDWEQWGCP-VZUCSPMQSA-N -1 2 514.557 4.545 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000408761977 1066589139 /nfs/dbraw/zinc/58/91/39/1066589139.db2.gz ILGUJHOEOLLKHR-RGVLZGJSSA-N -1 2 536.382 4.838 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408763247 1066588490 /nfs/dbraw/zinc/58/84/90/1066588490.db2.gz OPPUIXXLGAVPRR-UDWIEESQSA-N -1 2 522.355 4.530 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000408764171 1066587472 /nfs/dbraw/zinc/58/74/72/1066587472.db2.gz QHPSRHPZUPIXPQ-XDHOZWIPSA-N -1 2 522.355 4.530 40 10 KJCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)ccc1Br ZINC000408764225 1066587370 /nfs/dbraw/zinc/58/73/70/1066587370.db2.gz SLOUPFGYHYIQLD-WOJGMQOQSA-N -1 2 509.312 4.691 40 10 KJCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)ccc1Br ZINC000408764368 1066587530 /nfs/dbraw/zinc/58/75/30/1066587530.db2.gz TYYJRGYTLCQEBY-WOJGMQOQSA-N -1 2 509.312 4.691 40 10 KJCBLM Cc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408765998 1066586971 /nfs/dbraw/zinc/58/69/71/1066586971.db2.gz YKCSSAXGVWNJEE-UHFFFAOYSA-N -1 2 514.416 4.563 40 10 KJCBLM Cc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408765998 1066586959 /nfs/dbraw/zinc/58/69/59/1066586959.db2.gz YKCSSAXGVWNJEE-UHFFFAOYSA-N -1 2 514.416 4.563 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408766175 1066586426 /nfs/dbraw/zinc/58/64/26/1066586426.db2.gz PMKLPNIYOZFUES-UDWIEESQSA-N -1 2 536.382 4.838 40 10 KJCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408766604 1066586493 /nfs/dbraw/zinc/58/64/93/1066586493.db2.gz VWKWPODRSNANNM-BOPFTXTBSA-N -1 2 541.343 4.946 40 10 KJCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2)c1 ZINC000408767111 1066585753 /nfs/dbraw/zinc/58/57/53/1066585753.db2.gz IWOXBFBEAKXZIT-LDADJPATSA-N -1 2 511.317 4.937 40 10 KJCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1C ZINC000408768034 1066596806 /nfs/dbraw/zinc/59/68/06/1066596806.db2.gz BIMPLNCTICSPFN-UDWIEESQSA-N -1 2 596.377 4.852 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768298 1066596886 /nfs/dbraw/zinc/59/68/86/1066596886.db2.gz FAKZKMJYDQLOFL-SRZZPIQSSA-N -1 2 534.952 4.909 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768919 1066595781 /nfs/dbraw/zinc/59/57/81/1066595781.db2.gz LXYBKIDIOCDMRB-RGVLZGJSSA-N -1 2 565.376 4.710 40 10 KJCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408773161 1066592938 /nfs/dbraw/zinc/59/29/38/1066592938.db2.gz HAYOFMNNWOEHPF-UDWIEESQSA-N -1 2 582.350 4.543 40 10 KJCBLM CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408773316 1066593019 /nfs/dbraw/zinc/59/30/19/1066593019.db2.gz UVLMDIZEJKIFDI-CIAFOILYSA-N -1 2 612.376 4.634 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408773998 1066592465 /nfs/dbraw/zinc/59/24/65/1066592465.db2.gz NRDOIWYJLZBIAS-RGVLZGJSSA-N -1 2 612.376 4.552 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408774034 1066592499 /nfs/dbraw/zinc/59/24/99/1066592499.db2.gz LHTCKAVMAWECKT-FYJGNVAPSA-N -1 2 520.925 4.682 40 10 KJCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408774695 1066591998 /nfs/dbraw/zinc/59/19/98/1066591998.db2.gz MWSQZELYXXWBME-CIAFOILYSA-N -1 2 596.377 4.852 40 10 KJCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000408774905 1066592044 /nfs/dbraw/zinc/59/20/44/1066592044.db2.gz YPMJYNJSPYIRGH-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408775680 1066591619 /nfs/dbraw/zinc/59/16/19/1066591619.db2.gz REWWAGLNKBBDNT-VXLYETTFSA-N -1 2 541.343 4.946 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408776289 1066591165 /nfs/dbraw/zinc/59/11/65/1066591165.db2.gz NCIZFWDHRPKVIF-YBFXNURJSA-N -1 2 602.768 4.888 40 10 KJCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408776549 1066228818 /nfs/dbraw/zinc/22/88/18/1066228818.db2.gz PJFCWLAWZYJURS-DEDYPNTBSA-N -1 2 596.377 4.797 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408777198 1066590543 /nfs/dbraw/zinc/59/05/43/1066590543.db2.gz WGCXXMLQCBXLTB-RGVLZGJSSA-N -1 2 520.925 4.601 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408778852 1066599355 /nfs/dbraw/zinc/59/93/55/1066599355.db2.gz MOGGQGZLYSRIHN-CIAFOILYSA-N -1 2 626.403 4.942 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408780052 1066598909 /nfs/dbraw/zinc/59/89/09/1066598909.db2.gz QZGNJOZZJMYWRG-RGVLZGJSSA-N -1 2 565.376 4.710 40 10 KJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1C ZINC000408781208 1066232268 /nfs/dbraw/zinc/23/22/68/1066232268.db2.gz AYQVXESSVLIGJE-CIAFOILYSA-N -1 2 596.377 4.852 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408781697 1066597703 /nfs/dbraw/zinc/59/77/03/1066597703.db2.gz FHJFFSCNUDVOIQ-VXLYETTFSA-N -1 2 632.794 4.897 40 10 KJCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000408782546 1066603717 /nfs/dbraw/zinc/60/37/17/1066603717.db2.gz IEBGXUXNKSNQNX-FYJGNVAPSA-N -1 2 535.350 4.701 40 10 KJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408783621 1066602792 /nfs/dbraw/zinc/60/27/92/1066602792.db2.gz NUOLGWOVYRIHEO-FYJGNVAPSA-N -1 2 535.350 4.701 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408784135 1066602416 /nfs/dbraw/zinc/60/24/16/1066602416.db2.gz SGRXNKZHVOWYEX-FYJGNVAPSA-N -1 2 612.376 4.634 40 10 KJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408784428 1066602287 /nfs/dbraw/zinc/60/22/87/1066602287.db2.gz RBIIUQPQWGYIJY-UDWIEESQSA-N -1 2 582.350 4.543 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408784565 1066602344 /nfs/dbraw/zinc/60/23/44/1066602344.db2.gz UXJHIBMTXWFBKX-CIAFOILYSA-N -1 2 534.952 4.991 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408784927 1066232356 /nfs/dbraw/zinc/23/23/56/1066232356.db2.gz WULPSZHBLJYSGF-SRZZPIQSSA-N -1 2 626.403 4.860 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408786501 1066232884 /nfs/dbraw/zinc/23/28/84/1066232884.db2.gz RKNVDIUFXFOXRW-VXLYETTFSA-N -1 2 602.768 4.888 40 10 KJCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2)c1 ZINC000408788273 1066606158 /nfs/dbraw/zinc/60/61/58/1066606158.db2.gz DKAWBSUDGZEHQC-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408791576 1066604829 /nfs/dbraw/zinc/60/48/29/1066604829.db2.gz YXWZNJIYVUJCOV-OEAKJJBVSA-N -1 2 514.534 4.646 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408813920 1066614536 /nfs/dbraw/zinc/61/45/36/1066614536.db2.gz FWOVTSVSDPJTQO-DJKKODMXSA-N -1 2 542.773 4.875 40 10 KJCBLM CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)c1 ZINC000408818677 1066625549 /nfs/dbraw/zinc/62/55/49/1066625549.db2.gz YKQZLOQCESLMRX-SRZZPIQSSA-N -1 2 507.930 4.511 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408825937 1066629495 /nfs/dbraw/zinc/62/94/95/1066629495.db2.gz SCRYCOGASWNYDD-VXLYETTFSA-N -1 2 542.773 4.875 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408843286 1066250240 /nfs/dbraw/zinc/25/02/40/1066250240.db2.gz DCPVMYDMMZDKAU-OEAKJJBVSA-N -1 2 514.534 4.646 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408845521 1066248809 /nfs/dbraw/zinc/24/88/09/1066248809.db2.gz KBYHTKCFIUPVNT-SRZZPIQSSA-N -1 2 534.952 4.909 40 10 KJCBLM O=C([O-])Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408850330 1066656124 /nfs/dbraw/zinc/65/61/24/1066656124.db2.gz LNJVWMDSXKJTJF-BRJLIKDPSA-N -1 2 523.589 4.860 40 10 KJCBLM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408850584 1066250926 /nfs/dbraw/zinc/25/09/26/1066250926.db2.gz OOIHGUUFCJALND-WOJGMQOQSA-N -1 2 511.317 4.937 40 10 KJCBLM C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1)C(=O)[O-] ZINC000408851765 1066654904 /nfs/dbraw/zinc/65/49/04/1066654904.db2.gz FYZQIZROUWTZLM-QOAJQOCWSA-N -1 2 514.578 4.673 40 10 KJCBLM C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1)C(=O)[O-] ZINC000408851767 1066654852 /nfs/dbraw/zinc/65/48/52/1066654852.db2.gz FYZQIZROUWTZLM-XUSIQRBYSA-N -1 2 514.578 4.673 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408851903 1066250055 /nfs/dbraw/zinc/25/00/55/1066250055.db2.gz BJAXGKMVDHFRLK-SRZZPIQSSA-N -1 2 626.403 4.860 40 10 KJCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1 ZINC000408853164 1066653540 /nfs/dbraw/zinc/65/35/40/1066653540.db2.gz YXBYSOJQJABSDY-LDADJPATSA-N -1 2 524.913 4.762 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)cc1 ZINC000408857384 1066663939 /nfs/dbraw/zinc/66/39/39/1066663939.db2.gz UQIFDEUMYFHTLG-CIAFOILYSA-N -1 2 507.930 4.511 40 10 KJCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 ZINC000408857430 1066251865 /nfs/dbraw/zinc/25/18/65/1066251865.db2.gz OBOSYNKLVTUVKC-GIJQJNRQSA-N -1 2 712.209 4.979 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408858351 1066663473 /nfs/dbraw/zinc/66/34/73/1066663473.db2.gz RWEUTETUFMGYAC-DJKKODMXSA-N -1 2 609.385 4.520 40 10 KJCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4Cl)c3C)C2=O)c1 ZINC000408860142 1066662281 /nfs/dbraw/zinc/66/22/81/1066662281.db2.gz YIWATZKMYJJUQW-UDWIEESQSA-N -1 2 551.983 4.910 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408894250 1066679178 /nfs/dbraw/zinc/67/91/78/1066679178.db2.gz BVFJBVLEMXFVCB-SRZZPIQSSA-N -1 2 626.403 4.860 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408895272 1066678403 /nfs/dbraw/zinc/67/84/03/1066678403.db2.gz DLJHSOJEWCUDME-VXLYETTFSA-N -1 2 632.794 4.897 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408896648 1066677114 /nfs/dbraw/zinc/67/71/14/1066677114.db2.gz GVKITSXJBNXNNZ-RGVLZGJSSA-N -1 2 520.925 4.601 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408898001 1066691684 /nfs/dbraw/zinc/69/16/84/1066691684.db2.gz KHTGVLRUAUSPKK-CIAFOILYSA-N -1 2 626.403 4.942 40 10 KJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408898324 1066263017 /nfs/dbraw/zinc/26/30/17/1066263017.db2.gz LATNBUWSGBYZRF-UDWIEESQSA-N -1 2 535.350 4.701 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408898941 1066262838 /nfs/dbraw/zinc/26/28/38/1066262838.db2.gz NHOGTIHCOMJIGJ-RGVLZGJSSA-N -1 2 612.376 4.552 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408900433 1066688660 /nfs/dbraw/zinc/68/86/60/1066688660.db2.gz SLMHNLAFUCVPLW-SRZZPIQSSA-N -1 2 534.952 4.909 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408900794 1066688206 /nfs/dbraw/zinc/68/82/06/1066688206.db2.gz VCBSMWISXKJRMY-RGVLZGJSSA-N -1 2 565.376 4.710 40 10 KJCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C2=O)c1 ZINC000408901615 1066687442 /nfs/dbraw/zinc/68/74/42/1066687442.db2.gz ZDORBEWBBUTFKH-CIAFOILYSA-N -1 2 504.926 4.900 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408901767 1066262074 /nfs/dbraw/zinc/26/20/74/1066262074.db2.gz BXHKQFUOUFJPDK-RGVLZGJSSA-N -1 2 583.366 4.931 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902001 1066262162 /nfs/dbraw/zinc/26/21/62/1066262162.db2.gz DKSNSRRHHDSQIS-RGVLZGJSSA-N -1 2 538.915 4.821 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408902316 1066686133 /nfs/dbraw/zinc/68/61/33/1066686133.db2.gz HJEMVYZJNNONEH-VXLYETTFSA-N -1 2 569.339 4.540 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902603 1066685363 /nfs/dbraw/zinc/68/53/63/1066685363.db2.gz KXXMAFVHRQQYKX-VXLYETTFSA-N -1 2 569.339 4.540 40 10 KJCBLM O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 ZINC000408902812 1066264160 /nfs/dbraw/zinc/26/41/60/1066264160.db2.gz LPJHEKWOWXKDIP-LPYMAVHISA-N -1 2 544.361 4.817 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408902862 1066684792 /nfs/dbraw/zinc/68/47/92/1066684792.db2.gz MLODXUAVYYQDOK-BUVRLJJBSA-N -1 2 510.477 4.923 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408903053 1066684761 /nfs/dbraw/zinc/68/47/61/1066684761.db2.gz ONCHUAWLKMYKJY-RGVLZGJSSA-N -1 2 583.366 4.931 40 10 KJCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Br)c1 ZINC000408903136 1066684144 /nfs/dbraw/zinc/68/41/44/1066684144.db2.gz PVOYXIFLXNMYHP-YBFXNURJSA-N -1 2 539.313 4.532 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408903638 1066684175 /nfs/dbraw/zinc/68/41/75/1066684175.db2.gz VFRKBVLRIMGAOO-RGVLZGJSSA-N -1 2 630.366 4.773 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408911662 1066266623 /nfs/dbraw/zinc/26/66/23/1066266623.db2.gz BMGCIAVWDNRNAJ-KEBDBYFISA-N -1 2 583.366 4.931 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2Br)cc1 ZINC000408912702 1066697273 /nfs/dbraw/zinc/69/72/73/1066697273.db2.gz RPVIHIOPQWZPGM-VXLYETTFSA-N -1 2 539.313 4.532 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408913931 1066696765 /nfs/dbraw/zinc/69/67/65/1066696765.db2.gz WCMDEGTWUHRWJT-KEBDBYFISA-N -1 2 538.915 4.821 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408915124 1066268004 /nfs/dbraw/zinc/26/80/04/1066268004.db2.gz UZTYYXWIEMHDKA-KEBDBYFISA-N -1 2 583.366 4.931 40 10 KJCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2Br)c1 ZINC000408915836 1066267937 /nfs/dbraw/zinc/26/79/37/1066267937.db2.gz ZWHZIDBJRXXVFO-VXLYETTFSA-N -1 2 539.313 4.532 40 10 KJCBLM O=C(Oc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408926767 1066271959 /nfs/dbraw/zinc/27/19/59/1066271959.db2.gz YIPDDBJFGQTDMN-UHFFFAOYSA-N -1 2 540.535 4.932 40 10 KJCBLM O=C(Oc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408926767 1066271950 /nfs/dbraw/zinc/27/19/50/1066271950.db2.gz YIPDDBJFGQTDMN-UHFFFAOYSA-N -1 2 540.535 4.932 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408934268 1066714407 /nfs/dbraw/zinc/71/44/07/1066714407.db2.gz DMUHQFSVQXOBQJ-RGVLZGJSSA-N -1 2 657.373 4.542 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408934430 1066714567 /nfs/dbraw/zinc/71/45/67/1066714567.db2.gz APEQWXMASGURIV-RGVLZGJSSA-N -1 2 612.376 4.552 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408934460 1066276464 /nfs/dbraw/zinc/27/64/64/1066276464.db2.gz AWNRINXFEZHIAN-XDHOZWIPSA-N -1 2 539.313 4.532 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408934699 1066276805 /nfs/dbraw/zinc/27/68/05/1066276805.db2.gz BOLPHHSEBOWKKQ-VXLYETTFSA-N -1 2 541.343 4.946 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408934942 1066713876 /nfs/dbraw/zinc/71/38/76/1066713876.db2.gz BTFOKFXFHQHJEL-RGVLZGJSSA-N -1 2 610.373 4.700 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408935072 1066714085 /nfs/dbraw/zinc/71/40/85/1066714085.db2.gz CGDUTCPMTNQYHN-VXLYETTFSA-N -1 2 541.343 4.946 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408935116 1066714024 /nfs/dbraw/zinc/71/40/24/1066714024.db2.gz GTSHZOWHRIVDQY-DEDYPNTBSA-N -1 2 520.925 4.682 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408935168 1066276857 /nfs/dbraw/zinc/27/68/57/1066276857.db2.gz HCLGUDJQUOOOSZ-UDWIEESQSA-N -1 2 612.376 4.634 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1 ZINC000408935255 1066713426 /nfs/dbraw/zinc/71/34/26/1066713426.db2.gz CKOVXTCSWSRMAZ-BUVRLJJBSA-N -1 2 510.477 4.923 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935322 1066713460 /nfs/dbraw/zinc/71/34/60/1066713460.db2.gz CSRKCQATDUUGMS-BUVRLJJBSA-N -1 2 537.484 4.692 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408935603 1066276732 /nfs/dbraw/zinc/27/67/32/1066276732.db2.gz DEDBUMANAYTRDU-VXLYETTFSA-N -1 2 632.794 4.897 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408935636 1066712757 /nfs/dbraw/zinc/71/27/57/1066712757.db2.gz IESCIQUYNXCRHK-CIAFOILYSA-N -1 2 626.403 4.942 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408935663 1066277781 /nfs/dbraw/zinc/27/77/81/1066277781.db2.gz DHCKAQCQFSEIGE-BUVRLJJBSA-N -1 2 522.513 4.792 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935955 1066712914 /nfs/dbraw/zinc/71/29/14/1066712914.db2.gz FHJJWPDBMXXMQJ-BUVRLJJBSA-N -1 2 510.477 4.923 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408935957 1066712786 /nfs/dbraw/zinc/71/27/86/1066712786.db2.gz FHSZFLLSIRDSOA-UDWIEESQSA-N -1 2 511.317 4.937 40 10 KJCBLM O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000408935973 1066277522 /nfs/dbraw/zinc/27/75/22/1066277522.db2.gz JEFANZNJRPJKQA-GIJQJNRQSA-N -1 2 528.304 4.853 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408936023 1066712738 /nfs/dbraw/zinc/71/27/38/1066712738.db2.gz JPOAUSNZCYKQPV-OEAKJJBVSA-N -1 2 514.534 4.646 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408936471 1066712136 /nfs/dbraw/zinc/71/21/36/1066712136.db2.gz KACXOLSDVNEKOY-RGVLZGJSSA-N -1 2 630.366 4.773 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408936555 1066712309 /nfs/dbraw/zinc/71/23/09/1066712309.db2.gz GMLFYZKXWYPEGQ-RGVLZGJSSA-N -1 2 583.366 4.931 40 10 KJCBLM CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)c1 ZINC000408936872 1066278431 /nfs/dbraw/zinc/27/84/31/1066278431.db2.gz GHCJYZXRNOHHHY-SRZZPIQSSA-N -1 2 507.930 4.511 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408937018 1066711632 /nfs/dbraw/zinc/71/16/32/1066711632.db2.gz HMDLUKRCROQNGN-UDWIEESQSA-N -1 2 511.317 4.937 40 10 KJCBLM O=C([O-])c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408937166 1066711451 /nfs/dbraw/zinc/71/14/51/1066711451.db2.gz MQPDATCKPPRROF-RGVLZGJSSA-N -1 2 511.317 4.937 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408937401 1066728104 /nfs/dbraw/zinc/72/81/04/1066728104.db2.gz JDODDSJYBFFGIN-VXLYETTFSA-N -1 2 541.343 4.946 40 10 KJCBLM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Cl)c1 ZINC000408937405 1066728006 /nfs/dbraw/zinc/72/80/06/1066728006.db2.gz JFMBSRAYXQYCSK-CIAFOILYSA-N -1 2 504.926 4.900 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408937686 1066728040 /nfs/dbraw/zinc/72/80/40/1066728040.db2.gz JLCGBWSFWCUVFW-RGVLZGJSSA-N -1 2 511.317 4.937 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408937722 1066727654 /nfs/dbraw/zinc/72/76/54/1066727654.db2.gz JPJYDSJVMJNGLJ-RGVLZGJSSA-N -1 2 565.376 4.710 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408938383 1066280930 /nfs/dbraw/zinc/28/09/30/1066280930.db2.gz QGZKIBJSIINHNR-FYJGNVAPSA-N -1 2 520.925 4.682 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408938525 1066280755 /nfs/dbraw/zinc/28/07/55/1066280755.db2.gz KTXQYQBOOXTQPV-HZHRSRAPSA-N -1 2 510.477 4.923 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408939239 1066278952 /nfs/dbraw/zinc/27/89/52/1066278952.db2.gz MANOBTOGWDCQFU-VCHYOVAHSA-N -1 2 541.343 4.946 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408939263 1066726270 /nfs/dbraw/zinc/72/62/70/1066726270.db2.gz MDNNWJQAQKCQTM-YBFXNURJSA-N -1 2 538.915 4.821 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408939482 1066725691 /nfs/dbraw/zinc/72/56/91/1066725691.db2.gz SSJWBHHHTNKFOI-RGVLZGJSSA-N -1 2 630.366 4.773 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408940001 1066725242 /nfs/dbraw/zinc/72/52/42/1066725242.db2.gz NIEYHOLEXDOOPM-CIAFOILYSA-N -1 2 534.952 4.991 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408940387 1066725067 /nfs/dbraw/zinc/72/50/67/1066725067.db2.gz NXADGZOEWDDESX-WOJGMQOQSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408940538 1066724721 /nfs/dbraw/zinc/72/47/21/1066724721.db2.gz ODTMHNKJAVSDPD-UDWIEESQSA-N -1 2 565.376 4.791 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408940678 1066279715 /nfs/dbraw/zinc/27/97/15/1066279715.db2.gz OMSVLKOWXJLZIR-UDWIEESQSA-N -1 2 539.313 4.532 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408940849 1066724635 /nfs/dbraw/zinc/72/46/35/1066724635.db2.gz VIJJWVROKIWXAE-FYJGNVAPSA-N -1 2 565.376 4.791 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408940939 1066724648 /nfs/dbraw/zinc/72/46/48/1066724648.db2.gz VRMSYJXIBQHOSL-FYJGNVAPSA-N -1 2 520.925 4.682 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408941323 1066724399 /nfs/dbraw/zinc/72/43/99/1066724399.db2.gz PENBSYIYRDCHHK-SRZZPIQSSA-N -1 2 534.952 4.909 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408941735 1066280819 /nfs/dbraw/zinc/28/08/19/1066280819.db2.gz PODOLSKYDVJKJF-VCHYOVAHSA-N -1 2 569.339 4.540 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000408941902 1066723816 /nfs/dbraw/zinc/72/38/16/1066723816.db2.gz QAHGWILCDAWENO-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408941909 1066723687 /nfs/dbraw/zinc/72/36/87/1066723687.db2.gz QBOKEBMJHHALMC-UDWIEESQSA-N -1 2 539.313 4.532 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408942367 1066282711 /nfs/dbraw/zinc/28/27/11/1066282711.db2.gz QMCXJNMZUOTAFP-XDHOZWIPSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408942564 1066717556 /nfs/dbraw/zinc/71/75/56/1066717556.db2.gz ZIWKKZRBBILDRE-YBFXNURJSA-N -1 2 630.366 4.773 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408942862 1066722898 /nfs/dbraw/zinc/72/28/98/1066722898.db2.gz RARWOMFSWCLBQR-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408943104 1066283253 /nfs/dbraw/zinc/28/32/53/1066283253.db2.gz ROZKXDDHRNQTBF-RGVLZGJSSA-N -1 2 583.366 4.931 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408943315 1066722353 /nfs/dbraw/zinc/72/23/53/1066722353.db2.gz RQFYEPPYLILULM-YBFXNURJSA-N -1 2 583.366 4.931 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408943328 1066722273 /nfs/dbraw/zinc/72/22/73/1066722273.db2.gz RUOQFESQKFUMHS-YBFXNURJSA-N -1 2 539.313 4.532 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408943938 1066717061 /nfs/dbraw/zinc/71/70/61/1066717061.db2.gz STWFHHXNROUPOT-YBFXNURJSA-N -1 2 539.313 4.532 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408943970 1066717071 /nfs/dbraw/zinc/71/70/71/1066717071.db2.gz SWUKUBVPSZJAEX-WOJGMQOQSA-N -1 2 539.313 4.532 40 10 KJCBLM Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000408943979 1066717127 /nfs/dbraw/zinc/71/71/27/1066717127.db2.gz SYGWMXYTKZVGNQ-UDWIEESQSA-N -1 2 535.350 4.701 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408943980 1066717048 /nfs/dbraw/zinc/71/70/48/1066717048.db2.gz SYHBGPRMBMLCHR-VXLYETTFSA-N -1 2 569.339 4.540 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)c(OCC)c1 ZINC000408944566 1066717084 /nfs/dbraw/zinc/71/70/84/1066717084.db2.gz MUWZLWLEIYCJFU-CIAFOILYSA-N -1 2 551.983 4.910 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)cc1 ZINC000408944642 1066281526 /nfs/dbraw/zinc/28/15/26/1066281526.db2.gz NBTPKVBDHBMANW-CIAFOILYSA-N -1 2 507.930 4.511 40 10 KJCBLM Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408944814 1066281315 /nfs/dbraw/zinc/28/13/15/1066281315.db2.gz VLIJTVQLDJGBOJ-FYJGNVAPSA-N -1 2 535.350 4.701 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408944970 1066720885 /nfs/dbraw/zinc/72/08/85/1066720885.db2.gz VPHQMKCMAOZHQQ-VXLYETTFSA-N -1 2 569.339 4.540 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408945584 1066282119 /nfs/dbraw/zinc/28/21/19/1066282119.db2.gz WVDDRINTWJLXSK-UDWIEESQSA-N -1 2 520.925 4.682 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408945601 1066281932 /nfs/dbraw/zinc/28/19/32/1066281932.db2.gz XAEVCISSMCJZNW-VXLYETTFSA-N -1 2 632.794 4.897 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408945865 1066719216 /nfs/dbraw/zinc/71/92/16/1066719216.db2.gz XPLUYXFJBVGWCN-RGVLZGJSSA-N -1 2 565.922 4.591 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408946004 1066719352 /nfs/dbraw/zinc/71/93/52/1066719352.db2.gz XWEFEEYUZREFNJ-VCHYOVAHSA-N -1 2 632.794 4.897 40 10 KJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408946151 1066282641 /nfs/dbraw/zinc/28/26/41/1066282641.db2.gz YFWYHRMJRHLWOJ-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408946177 1066718760 /nfs/dbraw/zinc/71/87/60/1066718760.db2.gz YJQNEXPGNHJVRY-RGVLZGJSSA-N -1 2 538.915 4.821 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408946203 1066201294 /nfs/dbraw/zinc/20/12/94/1066201294.db2.gz YMBKXGYKZLFQQK-SRZZPIQSSA-N -1 2 626.403 4.860 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408946521 1066718083 /nfs/dbraw/zinc/71/80/83/1066718083.db2.gz YUSVBBISRLGKBO-RGVLZGJSSA-N -1 2 520.925 4.601 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408946631 1066718100 /nfs/dbraw/zinc/71/81/00/1066718100.db2.gz YZBAPCXSWRLARE-RGVLZGJSSA-N -1 2 538.915 4.821 40 10 KJCBLM Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000408946714 1066284532 /nfs/dbraw/zinc/28/45/32/1066284532.db2.gz ZDOHMDQHMBQHCL-LPYMAVHISA-N -1 2 504.926 4.900 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408947278 1066733809 /nfs/dbraw/zinc/73/38/09/1066733809.db2.gz BSIWNOZDLWWSGC-OEAKJJBVSA-N -1 2 536.496 4.512 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000408948412 1066285665 /nfs/dbraw/zinc/28/56/65/1066285665.db2.gz GBUBVDNMRFRSIZ-WYMPLXKRSA-N -1 2 544.604 4.683 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948752 1066731742 /nfs/dbraw/zinc/73/17/42/1066731742.db2.gz GHLLMMATPNSDRX-DJKKODMXSA-N -1 2 609.385 4.520 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Br)cc1 ZINC000408948874 1066731862 /nfs/dbraw/zinc/73/18/62/1066731862.db2.gz HFGYIUVPQZFZRU-REZTVBANSA-N -1 2 644.228 4.884 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408953975 1066737589 /nfs/dbraw/zinc/73/75/89/1066737589.db2.gz QSIOQWUAQSNKKK-LSFURLLWSA-N -1 2 565.022 4.946 40 10 KJCBLM O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408955992 1066735120 /nfs/dbraw/zinc/73/51/20/1066735120.db2.gz VMUKVZQECXWFAH-LSHDLFTRSA-N -1 2 626.447 4.889 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408956859 1066734290 /nfs/dbraw/zinc/73/42/90/1066734290.db2.gz YUMMDBYOAKSBCL-LSFURLLWSA-N -1 2 656.473 4.897 40 10 KJCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000408959836 1066740353 /nfs/dbraw/zinc/74/03/53/1066740353.db2.gz GQOVMDKFRACDIB-DEDYPNTBSA-N -1 2 535.350 4.701 40 10 KJCBLM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408960472 1066290119 /nfs/dbraw/zinc/29/01/19/1066290119.db2.gz LYTOYOWIIORLJC-WOJGMQOQSA-N -1 2 511.317 4.937 40 10 KJCBLM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408960659 1066739930 /nfs/dbraw/zinc/73/99/30/1066739930.db2.gz NMUSKMQWEARFTA-SFQUDFHCSA-N -1 2 511.317 4.937 40 10 KJCBLM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408960738 1066740285 /nfs/dbraw/zinc/74/02/85/1066740285.db2.gz IIUNBVDMRAZDKS-WOJGMQOQSA-N -1 2 509.312 4.691 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)cc3Br)C2=O)cc1 ZINC000408981540 1066752228 /nfs/dbraw/zinc/75/22/28/1066752228.db2.gz BPXDXVDWQLELJU-MTJSOVHGSA-N -1 2 579.403 4.964 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408981563 1066752086 /nfs/dbraw/zinc/75/20/86/1066752086.db2.gz BRQVQWZIGWJGGZ-MTJSOVHGSA-N -1 2 534.952 4.855 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408981804 1066752263 /nfs/dbraw/zinc/75/22/63/1066752263.db2.gz CPILKGUIFPISLM-BKUYFWCQSA-N -1 2 596.377 4.797 40 10 KJCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408982910 1066292911 /nfs/dbraw/zinc/29/29/11/1066292911.db2.gz IVFVRKKIFFPSCQ-JAIQZWGSSA-N -1 2 520.925 4.601 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408982994 1066750841 /nfs/dbraw/zinc/75/08/41/1066750841.db2.gz JKXBOYPDLIAEMY-MTJSOVHGSA-N -1 2 626.403 4.806 40 10 KJCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408983672 1066750288 /nfs/dbraw/zinc/75/02/88/1066750288.db2.gz NIMCCPDHEOYQAG-MTJSOVHGSA-N -1 2 534.952 4.991 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408983913 1066750301 /nfs/dbraw/zinc/75/03/01/1066750301.db2.gz OGIMFCTZXXMJHN-MTJSOVHGSA-N -1 2 579.403 4.964 40 10 KJCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408985273 1066748829 /nfs/dbraw/zinc/74/88/29/1066748829.db2.gz WELNYPZCSMQRCK-HAHDFKILSA-N -1 2 514.534 4.591 40 10 KJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1Cl ZINC000408987921 1066294761 /nfs/dbraw/zinc/29/47/61/1066294761.db2.gz PPVRJGZACYHADZ-WCIBSUBMSA-N -1 2 514.557 4.545 40 10 KJCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2I)cc1 ZINC000408989347 1066759769 /nfs/dbraw/zinc/75/97/69/1066759769.db2.gz HLZAUFYKDMWNBG-QGMBQPNBSA-N -1 2 712.209 4.979 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408990140 1066758647 /nfs/dbraw/zinc/75/86/47/1066758647.db2.gz MUKVZWYMRUNWAR-HMAPJEAMSA-N -1 2 549.377 4.955 40 10 KJCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2I)cc1 ZINC000409001903 1066765830 /nfs/dbraw/zinc/76/58/30/1066765830.db2.gz XQSAZBIRDFKDIY-REZTVBANSA-N -1 2 738.228 4.568 40 10 KJCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000409002022 1066765900 /nfs/dbraw/zinc/76/59/00/1066765900.db2.gz RZALCFVFIJGIMV-CXUHLZMHSA-N -1 2 712.209 4.979 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000409011734 1066772749 /nfs/dbraw/zinc/77/27/49/1066772749.db2.gz HKMHVWNDAQDWBH-FPLFNBKTSA-N -1 2 544.604 4.681 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409011735 1066772867 /nfs/dbraw/zinc/77/28/67/1066772867.db2.gz HKMHVWNDAQDWBH-JJKZGHQPSA-N -1 2 544.604 4.681 40 10 KJCBLM O=C([O-])c1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409040634 1066808248 /nfs/dbraw/zinc/80/82/48/1066808248.db2.gz HGJKEOVCWGMCFH-WQRHYEAKSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409040671 1066308957 /nfs/dbraw/zinc/30/89/57/1066308957.db2.gz HMAACTFZGRJKLD-CIAFOILYSA-N -1 2 595.402 4.557 40 10 KJCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409044818 1066312420 /nfs/dbraw/zinc/31/24/20/1066312420.db2.gz DKTDETWMWHVNSC-NYYWCZLTSA-N -1 2 514.557 4.545 40 10 KJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409046290 1066800438 /nfs/dbraw/zinc/80/04/38/1066800438.db2.gz JWUVMPVIKNWUKZ-BJMVGYQFSA-N -1 2 514.557 4.545 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409063962 1066315991 /nfs/dbraw/zinc/31/59/91/1066315991.db2.gz AYAIGWFVTBPZPJ-DJKKODMXSA-N -1 2 556.314 4.845 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409064881 1066828481 /nfs/dbraw/zinc/82/84/81/1066828481.db2.gz IQLOEFFSQJXMPC-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065092 1066316551 /nfs/dbraw/zinc/31/65/51/1066316551.db2.gz GBOSBXYMYMCWAR-RGVLZGJSSA-N -1 2 610.373 4.700 40 10 KJCBLM COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409065212 1066827973 /nfs/dbraw/zinc/82/79/73/1066827973.db2.gz IDGSBNWNEKLGDT-RGVLZGJSSA-N -1 2 569.353 4.724 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065246 1066827836 /nfs/dbraw/zinc/82/78/36/1066827836.db2.gz ILEVGFWSIZMSEQ-CIAFOILYSA-N -1 2 623.412 4.578 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409065609 1066827152 /nfs/dbraw/zinc/82/71/52/1066827152.db2.gz HZXCRWIYXAMYGU-XDHOZWIPSA-N -1 2 520.925 4.601 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 ZINC000409065725 1066827194 /nfs/dbraw/zinc/82/71/94/1066827194.db2.gz JFAYTKWOPGSLQH-QGMBQPNBSA-N -1 2 556.314 4.845 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409065892 1066827170 /nfs/dbraw/zinc/82/71/70/1066827170.db2.gz KYIWRPOJIQAPII-VXLYETTFSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065923 1066316597 /nfs/dbraw/zinc/31/65/97/1066316597.db2.gz LAAQWWSYKROEKN-RGVLZGJSSA-N -1 2 565.922 4.591 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409066182 1066826637 /nfs/dbraw/zinc/82/66/37/1066826637.db2.gz KGYZFLNAEZOLSN-RGVLZGJSSA-N -1 2 511.317 4.937 40 10 KJCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409066260 1066826699 /nfs/dbraw/zinc/82/66/99/1066826699.db2.gz BFKRGMDNZUANDV-VXLYETTFSA-N -1 2 630.245 4.920 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409066284 1066826712 /nfs/dbraw/zinc/82/67/12/1066826712.db2.gz BKOGMVPGVJOFTL-CIAFOILYSA-N -1 2 550.951 4.691 40 10 KJCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409066297 1066826655 /nfs/dbraw/zinc/82/66/55/1066826655.db2.gz KYOBEUZRBPEXGA-XCVCLJGOSA-N -1 2 593.011 4.648 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409067199 1066826028 /nfs/dbraw/zinc/82/60/28/1066826028.db2.gz PPIHLMRNTYCXLS-HYARGMPZSA-N -1 2 520.925 4.682 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068098 1066844844 /nfs/dbraw/zinc/84/48/44/1066844844.db2.gz FRRAJQRCJFQMNM-LICLKQGHSA-N -1 2 632.794 4.897 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409068230 1066844785 /nfs/dbraw/zinc/84/47/85/1066844785.db2.gz IACHKOVDPNQFQS-HYARGMPZSA-N -1 2 565.376 4.791 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409068519 1066844862 /nfs/dbraw/zinc/84/48/62/1066844862.db2.gz AYIMRQWWZDSYMR-LDADJPATSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068740 1066844192 /nfs/dbraw/zinc/84/41/92/1066844192.db2.gz HSXOYAPHSCTGJZ-CIAFOILYSA-N -1 2 550.951 4.691 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409068877 1066843638 /nfs/dbraw/zinc/84/36/38/1066843638.db2.gz JYOAHSIUZDYUCK-UDWIEESQSA-N -1 2 511.317 4.937 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409069361 1066843436 /nfs/dbraw/zinc/84/34/36/1066843436.db2.gz KNUBHVGIJFMWSY-VXLYETTFSA-N -1 2 616.218 4.861 40 10 KJCBLM O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 ZINC000409069729 1066842843 /nfs/dbraw/zinc/84/28/43/1066842843.db2.gz VWIRXCMWBLUQGR-ODLFYWEKSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070183 1066318581 /nfs/dbraw/zinc/31/85/81/1066318581.db2.gz XWWIDKSHMQIXPF-UDWIEESQSA-N -1 2 612.376 4.634 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1 ZINC000409070256 1066842309 /nfs/dbraw/zinc/84/23/09/1066842309.db2.gz YNSPLKJQPBERQU-GIJQJNRQSA-N -1 2 616.218 4.861 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070437 1066841792 /nfs/dbraw/zinc/84/17/92/1066841792.db2.gz XMCQHWKDPSFTJJ-DJKKODMXSA-N -1 2 632.794 4.897 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409070516 1066841736 /nfs/dbraw/zinc/84/17/36/1066841736.db2.gz YVGKOGAUVTXWAY-VXLYETTFSA-N -1 2 527.316 4.643 40 10 KJCBLM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409070547 1066841779 /nfs/dbraw/zinc/84/17/79/1066841779.db2.gz ZAHBOZAPXSBLSO-VXLYETTFSA-N -1 2 541.343 4.702 40 10 KJCBLM COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409070580 1066841894 /nfs/dbraw/zinc/84/18/94/1066841894.db2.gz CIEJSQCIBVGEPM-VXLYETTFSA-N -1 2 569.353 4.724 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070852 1066841754 /nfs/dbraw/zinc/84/17/54/1066841754.db2.gz PCPZVXVUSYIXFO-LICLKQGHSA-N -1 2 541.343 4.946 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409071121 1066841281 /nfs/dbraw/zinc/84/12/81/1066841281.db2.gz DQNPZBPBVUDMDW-RGVLZGJSSA-N -1 2 520.925 4.601 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1 ZINC000409071249 1066840553 /nfs/dbraw/zinc/84/05/53/1066840553.db2.gz QDDLFZZEBAVOPF-GIJQJNRQSA-N -1 2 527.316 4.643 40 10 KJCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409071975 1066840176 /nfs/dbraw/zinc/84/01/76/1066840176.db2.gz TWJQVBSFOJFNPW-RGVLZGJSSA-N -1 2 541.343 4.946 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409072038 1066839970 /nfs/dbraw/zinc/83/99/70/1066839970.db2.gz AIPWSTUKELYVFQ-VXLYETTFSA-N -1 2 556.314 4.845 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409072342 1066840146 /nfs/dbraw/zinc/84/01/46/1066840146.db2.gz NBIJXWRTCMOXKL-CIAFOILYSA-N -1 2 595.402 4.800 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409072416 1066840039 /nfs/dbraw/zinc/84/00/39/1066840039.db2.gz RWGBZROMBTWUFN-CIAFOILYSA-N -1 2 534.952 4.991 40 10 KJCBLM COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409072723 1066839457 /nfs/dbraw/zinc/83/94/57/1066839457.db2.gz KRFDOUZRRZEERL-VXLYETTFSA-N -1 2 658.255 4.942 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409072943 1066839012 /nfs/dbraw/zinc/83/90/12/1066839012.db2.gz WLVCCYOPXOAUCU-FYJGNVAPSA-N -1 2 520.925 4.682 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000409072965 1066838981 /nfs/dbraw/zinc/83/89/81/1066838981.db2.gz WNLUWAFPZFUVHH-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073147 1066319144 /nfs/dbraw/zinc/31/91/44/1066319144.db2.gz XQXCRIVFRRHFIE-UDWIEESQSA-N -1 2 565.376 4.791 40 10 KJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1C ZINC000409073224 1066839034 /nfs/dbraw/zinc/83/90/34/1066839034.db2.gz GBOAUNHTILSQDP-CIAFOILYSA-N -1 2 504.926 4.900 40 10 KJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000409073315 1066839001 /nfs/dbraw/zinc/83/90/01/1066839001.db2.gz GVVIGGBHERDDAC-LPYMAVHISA-N -1 2 504.926 4.900 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409073489 1066838440 /nfs/dbraw/zinc/83/84/40/1066838440.db2.gz ZITWQMMMZXXHJZ-CIAFOILYSA-N -1 2 642.402 4.642 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073758 1066838362 /nfs/dbraw/zinc/83/83/62/1066838362.db2.gz IHSWAWPACCDDJK-KEBDBYFISA-N -1 2 657.373 4.542 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073965 1066837909 /nfs/dbraw/zinc/83/79/09/1066837909.db2.gz ONRBOQSQGVXDNG-CIAFOILYSA-N -1 2 520.925 4.682 40 10 KJCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1 ZINC000409074052 1066837801 /nfs/dbraw/zinc/83/78/01/1066837801.db2.gz XOBCCHCSJUACTK-GZTJUZNOSA-N -1 2 511.317 4.937 40 10 KJCBLM COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409074168 1066837901 /nfs/dbraw/zinc/83/79/01/1066837901.db2.gz YKKIMEWWQMYTMF-RGVLZGJSSA-N -1 2 658.255 4.942 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074475 1066317190 /nfs/dbraw/zinc/31/71/90/1066317190.db2.gz ZUWXXWUNUCWKER-KEBDBYFISA-N -1 2 610.373 4.700 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000409074480 1066834015 /nfs/dbraw/zinc/83/40/15/1066834015.db2.gz LYXVQCNNOLBOOT-YBFXNURJSA-N -1 2 511.317 4.937 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074581 1066837175 /nfs/dbraw/zinc/83/71/75/1066837175.db2.gz NBKZPOHHZCNIBZ-CIAFOILYSA-N -1 2 595.402 4.800 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074815 1066317386 /nfs/dbraw/zinc/31/73/86/1066317386.db2.gz RYMWSXXRLNHLOD-KEBDBYFISA-N -1 2 565.922 4.591 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409074826 1066837144 /nfs/dbraw/zinc/83/71/44/1066837144.db2.gz SDRSBGHVIVOWSF-DEDYPNTBSA-N -1 2 534.952 4.991 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075065 1066837389 /nfs/dbraw/zinc/83/73/89/1066837389.db2.gz SWJCYFRVKXWYSY-DJKKODMXSA-N -1 2 541.343 4.946 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075374 1066836738 /nfs/dbraw/zinc/83/67/38/1066836738.db2.gz XRAPTJZQOBVOTI-UDWIEESQSA-N -1 2 520.925 4.682 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1 ZINC000409075379 1066836683 /nfs/dbraw/zinc/83/66/83/1066836683.db2.gz XTUVKBOCWOVRIY-GIJQJNRQSA-N -1 2 556.314 4.845 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076041 1066835485 /nfs/dbraw/zinc/83/54/85/1066835485.db2.gz WWCNEKNFCVDERU-RGVLZGJSSA-N -1 2 657.373 4.542 40 10 KJCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076168 1066835391 /nfs/dbraw/zinc/83/53/91/1066835391.db2.gz YZJOYQGVPAEXMY-CIAFOILYSA-N -1 2 642.402 4.642 40 10 KJCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409185198 1066945462 /nfs/dbraw/zinc/94/54/62/1066945462.db2.gz UCWQTVGEHDSPOJ-SFQUDFHCSA-N -1 2 541.343 4.946 40 10 KJCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186467 1066945443 /nfs/dbraw/zinc/94/54/43/1066945443.db2.gz CJBFNINQGLETRI-WOJGMQOQSA-N -1 2 541.343 4.946 40 10 KJCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186823 1066945511 /nfs/dbraw/zinc/94/55/11/1066945511.db2.gz IHXWBWYBEPAHGG-DEDYPNTBSA-N -1 2 565.376 4.710 40 10 KJCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186987 1066945533 /nfs/dbraw/zinc/94/55/33/1066945533.db2.gz KNCGGYDMOUHNSE-WOJGMQOQSA-N -1 2 541.343 4.946 40 10 KJCBLM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3[O-])C2=O)cc1OCC ZINC000409191413 1066954315 /nfs/dbraw/zinc/95/43/15/1066954315.db2.gz GWCFBYJSTCWSBA-MHWRWJLKSA-N -1 2 582.245 4.767 40 10 KJCBLM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1OCC ZINC000409191413 1066954307 /nfs/dbraw/zinc/95/43/07/1066954307.db2.gz GWCFBYJSTCWSBA-MHWRWJLKSA-N -1 2 582.245 4.767 40 10 KJCBLM C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)C(=O)[O-] ZINC000409192975 1066953553 /nfs/dbraw/zinc/95/35/53/1066953553.db2.gz HRVHTEIKXCVBFF-BBVGXWNRSA-N -1 2 514.578 4.673 40 10 KJCBLM C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)C(=O)[O-] ZINC000409192979 1066953431 /nfs/dbraw/zinc/95/34/31/1066953431.db2.gz HRVHTEIKXCVBFF-NYFSIGSOSA-N -1 2 514.578 4.673 40 10 KJCBLM CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000409212401 1066965819 /nfs/dbraw/zinc/96/58/19/1066965819.db2.gz LWIDXIOXOSMGHZ-XQNSMLJCSA-N -1 2 544.560 4.818 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409214279 1066965446 /nfs/dbraw/zinc/96/54/46/1066965446.db2.gz XEXDYUDMOIDDHC-XDHOZWIPSA-N -1 2 522.355 4.530 40 10 KJCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409231406 1066977861 /nfs/dbraw/zinc/97/78/61/1066977861.db2.gz DBGMOOUQEVOOBE-JCOWXEQYSA-N -1 2 544.604 4.681 40 10 KJCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409231607 1066977658 /nfs/dbraw/zinc/97/76/58/1066977658.db2.gz DBGMOOUQEVOOBE-XPGKZFKMSA-N -1 2 544.604 4.681 40 10 KJCBLM CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C2=O)c1 ZINC000409384965 1067096280 /nfs/dbraw/zinc/09/62/80/1067096280.db2.gz HMAMJPNZFMADEY-FYJGNVAPSA-N -1 2 533.606 4.798 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385407 1066364804 /nfs/dbraw/zinc/36/48/04/1066364804.db2.gz LBDPEKPYDIIMKH-NTEUORMPSA-N -1 2 531.304 4.539 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385460 1067095899 /nfs/dbraw/zinc/09/58/99/1067095899.db2.gz MCEZFQDNPKENGN-OVCLIPMQSA-N -1 2 531.304 4.539 40 10 KJCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C2=O)cc1 ZINC000409386051 1067095176 /nfs/dbraw/zinc/09/51/76/1067095176.db2.gz NNUIBORRNSFSTL-KGENOOAVSA-N -1 2 533.606 4.798 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386633 1067094769 /nfs/dbraw/zinc/09/47/69/1067094769.db2.gz QUTZUMWWBKUKAV-SFQUDFHCSA-N -1 2 507.543 4.538 40 10 KJCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386731 1067094412 /nfs/dbraw/zinc/09/44/12/1067094412.db2.gz XCYZCBHEGLACRN-OVCLIPMQSA-N -1 2 531.304 4.539 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386777 1067094612 /nfs/dbraw/zinc/09/46/12/1067094612.db2.gz RWMNMHGCBXEUPP-CPNJWEJPSA-N -1 2 503.580 4.707 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387053 1067093973 /nfs/dbraw/zinc/09/39/73/1067093973.db2.gz SSRQTRJASCVINI-DEDYPNTBSA-N -1 2 503.580 4.707 40 10 KJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387062 1067093901 /nfs/dbraw/zinc/09/39/01/1067093901.db2.gz STUBOGILHZEGNA-DEDYPNTBSA-N -1 2 503.580 4.707 40 10 KJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C2=O)cc1 ZINC000409387211 1067093485 /nfs/dbraw/zinc/09/34/85/1067093485.db2.gz UUZQGTXXVVSRMJ-KGENOOAVSA-N -1 2 517.607 4.961 40 10 KJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387377 1067112032 /nfs/dbraw/zinc/11/20/32/1067112032.db2.gz WDHGZXFQPOOBGH-YBFXNURJSA-N -1 2 507.543 4.538 40 10 KJCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C1=O ZINC000409387934 1067110807 /nfs/dbraw/zinc/11/08/07/1067110807.db2.gz YSPXETDSMHMNQZ-XSFVSMFZSA-N -1 2 517.607 4.961 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409398472 1067117621 /nfs/dbraw/zinc/11/76/21/1067117621.db2.gz BCBMLDJXKHUZAA-ZDLGFXPLSA-N -1 2 527.758 4.841 40 10 KJCBLM O=C([O-])c1cccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)c1 ZINC000409399049 1067116201 /nfs/dbraw/zinc/11/62/01/1067116201.db2.gz FNAIJOSQESUEKS-ZDLGFXPLSA-N -1 2 527.758 4.841 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000409399111 1067116234 /nfs/dbraw/zinc/11/62/34/1067116234.db2.gz FYAZOKXGDOTECP-ODLFYWEKSA-N -1 2 527.758 4.841 40 10 KJCBLM O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000409399519 1067115070 /nfs/dbraw/zinc/11/50/70/1067115070.db2.gz JGLKCDSHJTYICJ-ODLFYWEKSA-N -1 2 527.758 4.841 40 10 KJCBLM O=C([O-])c1cccc(COc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)c1 ZINC000409399653 1067114926 /nfs/dbraw/zinc/11/49/26/1067114926.db2.gz LJOLTXMEGFYPGT-ZDLGFXPLSA-N -1 2 572.209 4.950 40 10 KJCBLM COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409399790 1066207952 /nfs/dbraw/zinc/20/79/52/1066207952.db2.gz MJPULXYRNSCJBX-WQRHYEAKSA-N -1 2 557.784 4.850 40 10 KJCBLM O=C([O-])c1cccc(COc2c(I)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2I)c1 ZINC000409399830 1067113893 /nfs/dbraw/zinc/11/38/93/1067113893.db2.gz NIJSXQSPCQYLNK-ZDLGFXPLSA-N -1 2 666.209 4.634 40 10 KJCBLM COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409400527 1067112657 /nfs/dbraw/zinc/11/26/57/1067112657.db2.gz SLQZFKFXZNVRLC-WQRHYEAKSA-N -1 2 602.235 4.959 40 10 KJCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409400835 1067127418 /nfs/dbraw/zinc/12/74/18/1067127418.db2.gz UONQBTGYEWFYHC-ZDLGFXPLSA-N -1 2 572.209 4.950 40 10 KJCBLM COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409400955 1067127492 /nfs/dbraw/zinc/12/74/92/1067127492.db2.gz WKPPUZNYXHQZRZ-WQRHYEAKSA-N -1 2 557.784 4.850 40 10 KJCBLM COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409401537 1067126865 /nfs/dbraw/zinc/12/68/65/1067126865.db2.gz YZQXCYMILDTRSA-WQRHYEAKSA-N -1 2 602.235 4.959 40 10 KJCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2I)cc1 ZINC000409401725 1066368740 /nfs/dbraw/zinc/36/87/40/1066368740.db2.gz ZGDIXDFHPYLAHS-ZDLGFXPLSA-N -1 2 666.209 4.634 40 10 KJCBLM