smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000002948417 552228445 /nfs/dbraw/zinc/22/84/45/552228445.db2.gz KXACPVRKLNSYIH-KGENOOAVSA-N 0 2 522.941 4.481 40 10 KICBLN COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 ZINC000006088752 552530453 /nfs/dbraw/zinc/53/04/53/552530453.db2.gz SNOSXGOBJICICZ-XMHGGMMESA-N 0 2 560.704 4.183 40 10 KICBLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)c1 ZINC000006089031 552531080 /nfs/dbraw/zinc/53/10/80/552531080.db2.gz HGOCOMPTXFNHQS-UHFFFAOYSA-N 0 2 528.524 4.258 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 ZINC000006579916 552601150 /nfs/dbraw/zinc/60/11/50/552601150.db2.gz XGBBBFMBNYGWAW-STZFKDTASA-N 0 2 535.350 4.481 40 10 KICBLN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000008819997 553154968 /nfs/dbraw/zinc/15/49/68/553154968.db2.gz VLCPOXRFLUFBGG-JAIQZWGSSA-N 0 2 515.569 4.429 40 10 KICBLN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585826 553476824 /nfs/dbraw/zinc/47/68/24/553476824.db2.gz QQBYYMUTCQWYRH-UHFFFAOYSA-N 0 2 500.985 4.410 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OCC ZINC000014133061 553501657 /nfs/dbraw/zinc/50/16/57/553501657.db2.gz NMVHHASLSOBVHV-XNTDXEJSSA-N 0 2 520.323 4.063 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC(C)C ZINC000014133167 553501802 /nfs/dbraw/zinc/50/18/02/553501802.db2.gz OHOOTTLQFCZHMI-OQLLNIDSSA-N 0 2 520.323 4.062 40 10 KICBLN Cc1ccc(S(=O)(=O)Nc2nc(-c3csc(NS(=O)(=O)c4ccc(C)cc4)n3)cs2)cc1 ZINC000016310671 553559736 /nfs/dbraw/zinc/55/97/36/553559736.db2.gz QAVOLXHARWUQSK-UHFFFAOYSA-N 0 2 506.656 4.485 40 10 KICBLN Cn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2oc1=O ZINC000016363996 553561520 /nfs/dbraw/zinc/56/15/20/553561520.db2.gz UDSVQMCASWIPMF-JCMHNJIXSA-N 0 2 512.566 4.178 40 10 KICBLN CC(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000020286492 553632470 /nfs/dbraw/zinc/63/24/70/553632470.db2.gz OCEGCNCDGPDIFR-QNGOZBTKSA-N 0 2 519.612 4.304 40 10 KICBLN COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2O)cc1 ZINC000026786840 553821166 /nfs/dbraw/zinc/82/11/66/553821166.db2.gz DRFAUAGBHKBPRA-UHFFFAOYSA-N 0 2 520.585 4.374 40 10 KICBLN COc1ccc(S(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000026786859 553821171 /nfs/dbraw/zinc/82/11/71/553821171.db2.gz MAZZJRATNKEMKK-UHFFFAOYSA-N 0 2 520.585 4.374 40 10 KICBLN COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2O)cc1 ZINC000026787047 553821684 /nfs/dbraw/zinc/82/16/84/553821684.db2.gz BIYAXLPYCRSHIN-UHFFFAOYSA-N 0 2 506.558 4.066 40 10 KICBLN O=C(C[C@@H]1SC(=O)NC1=O)Oc1ccc(C=C2C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000028294947 553841498 /nfs/dbraw/zinc/84/14/98/553841498.db2.gz AIIMCGSQNUUMRD-MXHVWWQHSA-N 0 2 500.326 4.078 40 10 KICBLN O=C(C[C@H]1SC(=O)NC1=O)Oc1ccc(C=C2C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000028294949 553841599 /nfs/dbraw/zinc/84/15/99/553841599.db2.gz AIIMCGSQNUUMRD-MOVXZBDNSA-N 0 2 500.326 4.078 40 10 KICBLN CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000032109285 553862850 /nfs/dbraw/zinc/86/28/50/553862850.db2.gz ZUUKKZRZOBBRAH-PDGQHHTCSA-N 0 2 501.333 4.460 40 10 KICBLN O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000035984030 554118765 /nfs/dbraw/zinc/11/87/65/554118765.db2.gz POWNBKSLBRPYCJ-SXGWCWSVSA-N 0 2 508.375 4.293 40 10 KICBLN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000036559448 554225548 /nfs/dbraw/zinc/22/55/48/554225548.db2.gz QAKHQEFGXNJFIB-SXGWCWSVSA-N 0 2 508.375 4.293 40 10 KICBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC(C)C ZINC000059104830 554380022 /nfs/dbraw/zinc/38/00/22/554380022.db2.gz AHRJKASHVDVRRJ-MKMNVTDBSA-N 0 2 503.305 4.480 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)c1 ZINC000059105095 554380042 /nfs/dbraw/zinc/38/00/42/554380042.db2.gz HTXUSFULXSPNTR-AUWJEWJLSA-N 0 2 503.305 4.482 40 10 KICBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC ZINC000059105118 554380082 /nfs/dbraw/zinc/38/00/82/554380082.db2.gz IEPSUVWTBKPBLJ-VGOFMYFVSA-N 0 2 503.305 4.482 40 10 KICBLN COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000059135154 554381186 /nfs/dbraw/zinc/38/11/86/554381186.db2.gz ORYGKQJPPIYECD-AWNIVKPZSA-N 0 2 511.687 4.300 40 10 KICBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC ZINC000059135492 554381491 /nfs/dbraw/zinc/38/14/91/554381491.db2.gz MREILJXRXNALHA-RIYZIHGNSA-N 0 2 510.259 4.344 40 10 KICBLN CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198219 554384779 /nfs/dbraw/zinc/38/47/79/554384779.db2.gz HXPJYAQHEGZEMC-GZTJUZNOSA-N 0 2 517.332 4.296 40 10 KICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000059426670 554395177 /nfs/dbraw/zinc/39/51/77/554395177.db2.gz XJULBDYFQAVFDI-VZUCSPMQSA-N 0 2 500.530 4.237 40 10 KICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000059426687 554395147 /nfs/dbraw/zinc/39/51/47/554395147.db2.gz PIIFKOYRFHCGNS-WUXMJOGZSA-N 0 2 500.530 4.237 40 10 KICBLN CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000059484154 554397655 /nfs/dbraw/zinc/39/76/55/554397655.db2.gz LVRCKDWGSTYWOU-BOPFTXTBSA-N 0 2 503.349 4.312 40 10 KICBLN Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000059858858 554456296 /nfs/dbraw/zinc/45/62/96/554456296.db2.gz BBIQRLGNNUBISP-UNOMPAQXSA-N 0 2 508.376 4.198 40 10 KICBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC ZINC000059861277 554456379 /nfs/dbraw/zinc/45/63/79/554456379.db2.gz PSRDNLCQHAUIPQ-RIYZIHGNSA-N 0 2 506.296 4.432 40 10 KICBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(I)c3O)C2=O)c1 ZINC000100110838 554221493 /nfs/dbraw/zinc/22/14/93/554221493.db2.gz FJSGHXLQXVFQAQ-AUWJEWJLSA-N 0 2 541.139 4.043 40 10 KICBLN CCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000100182881 554242276 /nfs/dbraw/zinc/24/22/76/554242276.db2.gz QJOYPAIFFMKKBH-BOPFTXTBSA-N 0 2 550.349 4.154 40 10 KICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1 ZINC000100192693 554245049 /nfs/dbraw/zinc/24/50/49/554245049.db2.gz JFPUVUCMVBDASN-WZUFQYTHSA-N 0 2 547.530 4.079 40 10 KICBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(I)c1O ZINC000100215844 554250395 /nfs/dbraw/zinc/25/03/95/554250395.db2.gz OBMKPSDWCUPIEN-WUXMJOGZSA-N 0 2 591.981 4.188 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000100229259 554254696 /nfs/dbraw/zinc/25/46/96/554254696.db2.gz BRLJVBDSQLYYDT-XQNSMLJCSA-N 0 2 547.520 4.126 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100230352 554256172 /nfs/dbraw/zinc/25/61/72/554256172.db2.gz IAVCCYNPXJJNSK-FYJGNVAPSA-N 0 2 571.007 4.490 40 10 KICBLN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000100232469 554257506 /nfs/dbraw/zinc/25/75/06/554257506.db2.gz SATUDUAOLKHNDF-AUWJEWJLSA-N 0 2 542.169 4.364 40 10 KICBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl ZINC000100235478 554258304 /nfs/dbraw/zinc/25/83/04/554258304.db2.gz AMQZJFFPVVAZMG-DHDCSXOGSA-N 0 2 521.751 4.019 40 10 KICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC)c(OCC)c3)C2=O)cc1 ZINC000100241335 554260585 /nfs/dbraw/zinc/26/05/85/554260585.db2.gz JDJUYLNPPNGZCS-BOPFTXTBSA-N 0 2 550.349 4.154 40 10 KICBLN CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000100273148 554270702 /nfs/dbraw/zinc/27/07/02/554270702.db2.gz YYZZCBUHVXWILU-WUXMJOGZSA-N 0 2 607.573 4.257 40 10 KICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100310150 554299899 /nfs/dbraw/zinc/29/98/99/554299899.db2.gz DSFOWNDGOGOOEY-WOJGMQOQSA-N 0 2 518.438 4.279 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100320783 554305207 /nfs/dbraw/zinc/30/52/07/554305207.db2.gz BTTIWVYZDOWIIJ-XDHOZWIPSA-N 0 2 571.405 4.200 40 10 KICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100320808 554305193 /nfs/dbraw/zinc/30/51/93/554305193.db2.gz MKRDQOGQWXNFGK-ODLFYWEKSA-N 0 2 599.337 4.453 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000100320828 554305268 /nfs/dbraw/zinc/30/52/68/554305268.db2.gz KIBXRUPUZVRDPS-XDHOZWIPSA-N 0 2 618.405 4.042 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000100345008 554329901 /nfs/dbraw/zinc/32/99/01/554329901.db2.gz XYUGDSODDSJOQQ-KGENOOAVSA-N 0 2 571.405 4.200 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000100345091 554329984 /nfs/dbraw/zinc/32/99/84/554329984.db2.gz XKQHINRFXRQPSE-UDWIEESQSA-N 0 2 601.431 4.209 40 10 KICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1 ZINC000100454592 554395684 /nfs/dbraw/zinc/39/56/84/554395684.db2.gz JFPUVUCMVBDASN-VZUCSPMQSA-N 0 2 547.530 4.079 40 10 KICBLN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1 ZINC000100454622 554395633 /nfs/dbraw/zinc/39/56/33/554395633.db2.gz NAGCDYBCZFUMGG-VZUCSPMQSA-N 0 2 608.049 4.353 40 10 KICBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000100455556 554395996 /nfs/dbraw/zinc/39/59/96/554395996.db2.gz QHBOZOKFGOGLEE-WUXMJOGZSA-N 0 2 544.981 4.346 40 10 KICBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O ZINC000100455570 554396067 /nfs/dbraw/zinc/39/60/67/554396067.db2.gz AGASUPHWKJLDIO-WUXMJOGZSA-N 0 2 547.530 4.079 40 10 KICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)cc(I)c1O ZINC000100455587 554396029 /nfs/dbraw/zinc/39/60/29/554396029.db2.gz MVPIAHGQQIHWIN-SDQBBNPISA-N 0 2 547.530 4.079 40 10 KICBLN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(I)c1O ZINC000100455646 554396319 /nfs/dbraw/zinc/39/63/19/554396319.db2.gz BZZQXEUJXNAGBS-XGICHPGQSA-N 0 2 563.598 4.244 40 10 KICBLN CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)s1 ZINC000100507277 554408131 /nfs/dbraw/zinc/40/81/31/554408131.db2.gz SDVFVRHYJNADMV-PDGQHHTCSA-N 0 2 503.009 4.273 40 10 KICBLN CC(=O)C(=C(C)O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000100511765 554408689 /nfs/dbraw/zinc/40/86/89/554408689.db2.gz CWKKKKGEKQZBJX-UHFFFAOYSA-N 0 2 514.625 4.167 40 10 KICBLN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100629815 554435240 /nfs/dbraw/zinc/43/52/40/554435240.db2.gz YOCGZBRKIBHLGJ-RCCKNPSSSA-N 0 2 503.422 4.342 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100952628 554537683 /nfs/dbraw/zinc/53/76/83/554537683.db2.gz XIAASBKOIQQDML-VXLYETTFSA-N 0 2 615.336 4.159 40 10 KICBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)C1=O ZINC000100959044 554541649 /nfs/dbraw/zinc/54/16/49/554541649.db2.gz YJKBNLBRJVONJJ-QNGOZBTKSA-N 0 2 602.445 4.169 40 10 KICBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(Br)ccc(c54)C3=O)C2=O)cc1C ZINC000100959064 554541975 /nfs/dbraw/zinc/54/19/75/554541975.db2.gz HIGVYMSSTWIXQT-YBEGLDIGSA-N 0 2 612.234 4.249 40 10 KICBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)cc1C ZINC000100959074 554541879 /nfs/dbraw/zinc/54/18/79/554541879.db2.gz VXSPJHIEOSNFGX-QNGOZBTKSA-N 0 2 616.472 4.477 40 10 KICBLN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000100999797 554552222 /nfs/dbraw/zinc/55/22/22/554552222.db2.gz YWAXALCWOCNRPE-AQTBWJFISA-N 0 2 548.668 4.313 40 10 KICBLN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccc(Cl)cc4)SC3=S)cc2)nn1 ZINC000101001335 554552308 /nfs/dbraw/zinc/55/23/08/554552308.db2.gz GNSDQDOHIGGKQI-XMHGGMMESA-N 0 2 590.108 4.169 40 10 KICBLN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000101007127 554555005 /nfs/dbraw/zinc/55/50/05/554555005.db2.gz RAVOYMQMMIDXIF-MOSHPQCFSA-N 0 2 529.596 4.487 40 10 KICBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101112588 554642100 /nfs/dbraw/zinc/64/21/00/554642100.db2.gz BBLJDPRSGRIDOR-JZTLMNBPSA-N 0 2 619.421 4.459 40 10 KICBLN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1O ZINC000101748349 554834429 /nfs/dbraw/zinc/83/44/29/554834429.db2.gz IQBCBPOXIHSKBC-XGICHPGQSA-N 0 2 516.598 4.402 40 10 KICBLN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732186 555024047 /nfs/dbraw/zinc/02/40/47/555024047.db2.gz SEKXHFOHRWWZLY-ACRUOGEOSA-N 0 2 510.300 4.114 40 10 KICBLN O=C1[C@@H]2[C@H](c3cc([N+](=O)[O-])ccc3O)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732192 555024059 /nfs/dbraw/zinc/02/40/59/555024059.db2.gz SEKXHFOHRWWZLY-HKBOAZHASA-N 0 2 510.300 4.114 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OC ZINC000103814567 555482321 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571362796 /nfs/dbraw/zinc/36/27/96/571362796.db2.gz OLXVAXVLGRIQMD-WYMPLXKRSA-N 0 2 544.604 4.381 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000103844429 571362987 /nfs/dbraw/zinc/36/29/87/571362987.db2.gz IHFNYTWECITENW-DJKKODMXSA-N 0 2 581.940 4.290 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000103844807 571362906 /nfs/dbraw/zinc/36/29/06/571362906.db2.gz MZMKZICDRUNNAG-VXLYETTFSA-N 0 2 608.401 4.260 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000103845175 571363080 /nfs/dbraw/zinc/36/30/80/571363080.db2.gz ZDDGSZXIFKDGIK-KEBDBYFISA-N 0 2 577.977 4.460 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C2=O)c1 ZINC000103845245 571363152 /nfs/dbraw/zinc/36/31/52/571363152.db2.gz OMPIFLQIGFJIDE-FYJGNVAPSA-N 0 2 548.552 4.475 40 10 KICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000103845328 571363145 /nfs/dbraw/zinc/36/31/45/571363145.db2.gz BDPOZHKXRHAMRE-GIJQJNRQSA-N 0 2 566.320 4.331 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(I)c3O)C2=O)c1 ZINC000103845551 571363268 /nfs/dbraw/zinc/36/32/68/571363268.db2.gz MWODXZAWQOWULO-ZSOIEALJSA-N 0 2 601.191 4.223 40 10 KICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000103846155 571363194 /nfs/dbraw/zinc/36/31/94/571363194.db2.gz WTLLCYSXEVGWAP-REZTVBANSA-N 0 2 565.332 4.152 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103846304 571363444 /nfs/dbraw/zinc/36/34/44/571363444.db2.gz ZUQBPJYYCNWPPO-QGMBQPNBSA-N 0 2 596.346 4.340 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)c1 ZINC000103846347 571363464 /nfs/dbraw/zinc/36/34/64/571363464.db2.gz JXRKSCRQZSQZHO-XQNSMLJCSA-N 0 2 529.549 4.168 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000103846360 571363433 /nfs/dbraw/zinc/36/34/33/571363433.db2.gz OGZZEZBYWJIWNK-LDADJPATSA-N 0 2 536.453 4.227 40 10 KICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000103846412 571363411 /nfs/dbraw/zinc/36/34/11/571363411.db2.gz IAYPKTNMHBDNAR-GIJQJNRQSA-N 0 2 613.320 4.174 40 10 KICBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000103849566 571364142 /nfs/dbraw/zinc/36/41/42/571364142.db2.gz GABSVUNLDUKEKF-NTUHNPAUSA-N 0 2 559.129 4.258 40 10 KICBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000103858127 571366501 /nfs/dbraw/zinc/36/65/01/571366501.db2.gz AAUIYOWPLBZYGN-ZSOIEALJSA-N 0 2 571.165 4.127 40 10 KICBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 ZINC000103858299 571366557 /nfs/dbraw/zinc/36/65/57/571366557.db2.gz DLUCSZRAHREJIV-FYJGNVAPSA-N 0 2 522.355 4.310 40 10 KICBLN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000103858311 571366537 /nfs/dbraw/zinc/36/65/37/571366537.db2.gz CMBGYVJUZMPJHN-LPYMAVHISA-N 0 2 521.371 4.481 40 10 KICBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858534 571366575 /nfs/dbraw/zinc/36/65/75/571366575.db2.gz ZOCDRMKBHQWYPY-AWNIVKPZSA-N 0 2 572.593 4.083 40 10 KICBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858537 571366595 /nfs/dbraw/zinc/36/65/95/571366595.db2.gz XFXBIMVQKKMNBZ-VGOFMYFVSA-N 0 2 586.620 4.473 40 10 KICBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000103858650 571366760 /nfs/dbraw/zinc/36/67/60/571366760.db2.gz KJCQPVDFWFWNFM-NTEUORMPSA-N 0 2 541.139 4.119 40 10 KICBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000103858866 571366716 /nfs/dbraw/zinc/36/67/16/571366716.db2.gz IMEAXVFZOLUJAT-RIYZIHGNSA-N 0 2 524.165 4.285 40 10 KICBLN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000103858946 571366900 /nfs/dbraw/zinc/36/69/00/571366900.db2.gz PUGXYGIITZHLQG-YBFXNURJSA-N 0 2 539.342 4.440 40 10 KICBLN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000103858950 571366876 /nfs/dbraw/zinc/36/68/76/571366876.db2.gz ADLULYQJZWLQDY-YBFXNURJSA-N 0 2 539.342 4.440 40 10 KICBLN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000103858962 571366967 /nfs/dbraw/zinc/36/69/67/571366967.db2.gz PEGLHJOUQMYZLZ-DEDYPNTBSA-N 0 2 522.355 4.310 40 10 KICBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000103859279 571367090 /nfs/dbraw/zinc/36/70/90/571367090.db2.gz HUTUHKPAJXMODP-CXUHLZMHSA-N 0 2 551.777 4.110 40 10 KICBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000103859321 571367078 /nfs/dbraw/zinc/36/70/78/571367078.db2.gz UGOMKSSXQBPZMN-CXUHLZMHSA-N 0 2 596.228 4.219 40 10 KICBLN CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000103859418 571367024 /nfs/dbraw/zinc/36/70/24/571367024.db2.gz HXPRNRUAWGYQEG-CXUHLZMHSA-N 0 2 596.228 4.219 40 10 KICBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000103859910 571367450 /nfs/dbraw/zinc/36/74/50/571367450.db2.gz YRDWRMSXTBMJEJ-AUWJEWJLSA-N 0 2 571.165 4.127 40 10 KICBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I ZINC000103860034 571367428 /nfs/dbraw/zinc/36/74/28/571367428.db2.gz PWQMRZNSZZVVKT-RIYZIHGNSA-N 0 2 541.139 4.119 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O ZINC000103891208 571368732 /nfs/dbraw/zinc/36/87/32/571368732.db2.gz WFNZMSNEBHZLKH-KPKJPENVSA-N 0 2 528.128 4.121 40 10 KICBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103919102 571369546 /nfs/dbraw/zinc/36/95/46/571369546.db2.gz NXZXZEFAIHTQPI-MOHJPFBDSA-N 0 2 520.615 4.483 40 10 KICBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103919102 571369545 /nfs/dbraw/zinc/36/95/45/571369545.db2.gz NXZXZEFAIHTQPI-MOHJPFBDSA-N 0 2 520.615 4.483 40 10 KICBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103919118 571369513 /nfs/dbraw/zinc/36/95/13/571369513.db2.gz ZDBUFKQSGZKKBY-QJOMJCCJSA-N 0 2 535.586 4.383 40 10 KICBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103919118 571369512 /nfs/dbraw/zinc/36/95/12/571369512.db2.gz ZDBUFKQSGZKKBY-QJOMJCCJSA-N 0 2 535.586 4.383 40 10 KICBLN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000103920181 571369660 /nfs/dbraw/zinc/36/96/60/571369660.db2.gz IHVUMDPSJSZPAG-JLPGSUDCSA-N 0 2 562.633 4.144 40 10 KICBLN COC(=O)c1cc(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccccc2)cc(C(=O)OC)c1 ZINC000103921307 571369705 /nfs/dbraw/zinc/36/97/05/571369705.db2.gz UKQBVSMLJOKLRL-KQWNVCNZSA-N 0 2 514.494 4.305 40 10 KICBLN COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 ZINC000103921307 571369704 /nfs/dbraw/zinc/36/97/04/571369704.db2.gz UKQBVSMLJOKLRL-KQWNVCNZSA-N 0 2 514.494 4.305 40 10 KICBLN COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccccc2)c1 ZINC000103921354 571369847 /nfs/dbraw/zinc/36/98/47/571369847.db2.gz PMJMSCJUAKTIGV-KQWNVCNZSA-N 0 2 514.494 4.305 40 10 KICBLN COC(=O)c1cc(N=C(C)c2c(-c3ccc(OC)cc3)[nH]n(-c3ccc(OC)cc3)c2=O)cc(C(=O)OC)c1 ZINC000103922775 571369922 /nfs/dbraw/zinc/36/99/22/571369922.db2.gz MRPQAKVTCUVNGJ-UQQQWYQISA-N 0 2 529.549 4.414 40 10 KICBLN COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 ZINC000103922775 571369921 /nfs/dbraw/zinc/36/99/21/571369921.db2.gz MRPQAKVTCUVNGJ-UQQQWYQISA-N 0 2 529.549 4.414 40 10 KICBLN COC(=O)c1cc(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(OC)cc2)cc(C(=O)OC)c1 ZINC000103922788 571369960 /nfs/dbraw/zinc/36/99/60/571369960.db2.gz ZGVXNMAYSISPRU-JLPGSUDCSA-N 0 2 544.520 4.314 40 10 KICBLN COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 ZINC000103922788 571369959 /nfs/dbraw/zinc/36/99/59/571369959.db2.gz ZGVXNMAYSISPRU-JLPGSUDCSA-N 0 2 544.520 4.314 40 10 KICBLN COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(-c3ccc(OC)cc3)[nH]n(-c3ccc(OC)cc3)c2=O)c1 ZINC000103922819 571369997 /nfs/dbraw/zinc/36/99/97/571369997.db2.gz LTEUMMODEBVQJD-UQQQWYQISA-N 0 2 529.549 4.414 40 10 KICBLN COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(OC)cc2)c1 ZINC000103922838 571369929 /nfs/dbraw/zinc/36/99/29/571369929.db2.gz FDWDFHCEGWWQNC-JLPGSUDCSA-N 0 2 544.520 4.314 40 10 KICBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000105049272 571390375 /nfs/dbraw/zinc/39/03/75/571390375.db2.gz UZYRGGDXIJRPJT-UYRXBGFRSA-N 0 2 535.940 4.041 40 10 KICBLN COc1ccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000106116965 571411356 /nfs/dbraw/zinc/41/13/56/571411356.db2.gz XGSGLCCKVMTWLT-UHFFFAOYSA-N 0 2 537.682 4.173 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC(C)C ZINC000112245257 571435742 /nfs/dbraw/zinc/43/57/42/571435742.db2.gz XWJUYRKMYABYSL-MHWRWJLKSA-N 0 2 534.350 4.452 40 10 KICBLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N3CCN(/N=N/c4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)CC3)cc2)n1 ZINC000150377974 571466688 /nfs/dbraw/zinc/46/66/88/571466688.db2.gz BVPRSGMWJMMMQM-YEQLPCBTSA-N 0 2 664.778 4.417 40 10 KICBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O ZINC000150383371 571467774 /nfs/dbraw/zinc/46/77/74/571467774.db2.gz IBQCEAIYWBWGMO-WUXMJOGZSA-N 0 2 638.981 4.030 40 10 KICBLN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(I)cc(I)c1O ZINC000150383380 571467706 /nfs/dbraw/zinc/46/77/06/571467706.db2.gz ILLWEPDSJIRDST-XGICHPGQSA-N 0 2 655.049 4.195 40 10 KICBLN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000150383829 571468056 /nfs/dbraw/zinc/46/80/56/571468056.db2.gz PYLLTGYPGCUUSB-VZUCSPMQSA-N 0 2 655.049 4.195 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000150481332 571512650 /nfs/dbraw/zinc/51/26/50/571512650.db2.gz XPBKRPOUNCKUNB-UDWIEESQSA-N 0 2 632.432 4.351 40 10 KICBLN COc1ccccc1NC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000150481389 571512635 /nfs/dbraw/zinc/51/26/35/571512635.db2.gz RRHUEDOLUHRXEB-UNOMPAQXSA-N 0 2 641.418 4.301 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000150481405 571512584 /nfs/dbraw/zinc/51/25/84/571512584.db2.gz KHCNHFXAZRQYHJ-UDWIEESQSA-N 0 2 632.432 4.351 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000150491682 571517223 /nfs/dbraw/zinc/51/72/23/571517223.db2.gz JJLCHCCIBFAVKR-UDWIEESQSA-N 0 2 648.431 4.051 40 10 KICBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000150662579 571527758 /nfs/dbraw/zinc/52/77/58/571527758.db2.gz XFDLODIXHDSPMN-VZUCSPMQSA-N 0 2 638.981 4.030 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(NC)c(I)c3)C2=O)c1 ZINC000164341357 571546140 /nfs/dbraw/zinc/54/61/40/571546140.db2.gz YVEYXZFFHFEBGZ-RIYZIHGNSA-N 0 2 661.234 4.401 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)c1 ZINC000164346746 571546347 /nfs/dbraw/zinc/54/63/47/571546347.db2.gz PIUOPGDSKUVSGH-NTUHNPAUSA-N 0 2 648.191 4.065 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)OC)c(I)c3)C2=O)c1 ZINC000164353329 571546320 /nfs/dbraw/zinc/54/63/20/571546320.db2.gz YVAPPUAEESUHQU-OVCLIPMQSA-N 0 2 673.254 4.069 40 10 KICBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000164446969 571547662 /nfs/dbraw/zinc/54/76/62/571547662.db2.gz SJWGEAZSZCHKQU-AWNIVKPZSA-N 0 2 617.044 4.192 40 10 KICBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164451804 571548014 /nfs/dbraw/zinc/54/80/14/571548014.db2.gz ZEJDRDDVMLVXGO-AWNIVKPZSA-N 0 2 664.044 4.034 40 10 KICBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164451936 571547850 /nfs/dbraw/zinc/54/78/50/571547850.db2.gz VOAYWKDFOFDUAY-VGOFMYFVSA-N 0 2 678.071 4.425 40 10 KICBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164457978 571548179 /nfs/dbraw/zinc/54/81/79/571548179.db2.gz BEIOENOOONLJGS-VGOFMYFVSA-N 0 2 725.071 4.267 40 10 KICBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000164469728 571548678 /nfs/dbraw/zinc/54/86/78/571548678.db2.gz JXABUANXNJFVJK-CXUHLZMHSA-N 0 2 643.228 4.061 40 10 KICBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223190718 571443068 /nfs/dbraw/zinc/44/30/68/571443068.db2.gz JKJDUPOIXFAPIB-KAYWLYCHSA-N 0 2 533.698 4.191 40 10 KICBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223190772 571443101 /nfs/dbraw/zinc/44/31/01/571443101.db2.gz JKJDUPOIXFAPIB-SXOMAYOGSA-N 0 2 533.698 4.191 40 10 KICBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223190825 571443046 /nfs/dbraw/zinc/44/30/46/571443046.db2.gz JKJDUPOIXFAPIB-RRPNLBNLSA-N 0 2 533.698 4.191 40 10 KICBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000223190883 571443055 /nfs/dbraw/zinc/44/30/55/571443055.db2.gz JKJDUPOIXFAPIB-SVBPBHIXSA-N 0 2 533.698 4.191 40 10 KICBLN Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3cccc4cccnc43)c(O)c3ncccc23)cc1 ZINC000256055641 572305313 /nfs/dbraw/zinc/30/53/13/572305313.db2.gz OHHDBNWXTHNWLE-UHFFFAOYSA-N 0 2 505.577 4.431 40 10 KICBLN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)c3nc(ncc3C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000263593988 572127235 /nfs/dbraw/zinc/12/72/35/572127235.db2.gz BXIOFXWHZIWPCX-CFMKEFOMSA-N 0 2 704.773 4.274 40 10 KICBLN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)c3nc(ncc3C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000263593989 572127291 /nfs/dbraw/zinc/12/72/91/572127291.db2.gz BXIOFXWHZIWPCX-IMZBIUOASA-N 0 2 704.773 4.274 40 10 KICBLN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)c3nc(ncc3C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000263593990 572127267 /nfs/dbraw/zinc/12/72/67/572127267.db2.gz BXIOFXWHZIWPCX-LEQBDWEKSA-N 0 2 704.773 4.274 40 10 KICBLN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)c3nc(ncc3C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000263593991 572127288 /nfs/dbraw/zinc/12/72/88/572127288.db2.gz BXIOFXWHZIWPCX-QOUNLNLTSA-N 0 2 704.773 4.274 40 10 KICBLN CCOC(=O)c1sc(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(C(=O)OCC)c1C ZINC000408526155 572157127 /nfs/dbraw/zinc/15/71/27/572157127.db2.gz AQILXARLTPNKOH-GXDHUFHOSA-N 0 2 578.441 4.368 40 10 KICBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000408526447 572157867 /nfs/dbraw/zinc/15/78/67/572157867.db2.gz BJTALPJXUGSZCW-LPYMAVHISA-N 0 2 573.403 4.441 40 10 KICBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)C1=O ZINC000408526684 572158485 /nfs/dbraw/zinc/15/84/85/572158485.db2.gz DAKYDUOLHWSDEM-CJLVFECKSA-N 0 2 616.472 4.423 40 10 KICBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1O ZINC000408527195 572159715 /nfs/dbraw/zinc/15/97/15/572159715.db2.gz FJPZORLNXLVZRM-KGENOOAVSA-N 0 2 502.527 4.347 40 10 KICBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccccc4Br)cc3)C2=O)c1 ZINC000408527389 572160101 /nfs/dbraw/zinc/16/01/01/572160101.db2.gz DKQGWJYDSPXVMS-XMHGGMMESA-N 0 2 569.437 4.446 40 10 KICBLN Cc1cccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)cc2)c1 ZINC000408527420 572160211 /nfs/dbraw/zinc/16/02/11/572160211.db2.gz DLLLXTKQYGYZSX-HZHRSRAPSA-N 0 2 518.595 4.300 40 10 KICBLN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408527967 572162302 /nfs/dbraw/zinc/16/23/02/572162302.db2.gz AMJGCORJKJCBQW-JFNIHZHXSA-N 0 2 501.426 4.019 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408527973 572162495 /nfs/dbraw/zinc/16/24/95/572162495.db2.gz ANJUQUUTUBNPTP-XSFVSMFZSA-N 0 2 515.478 4.188 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)C2=O)ccc1Br ZINC000408527990 572162387 /nfs/dbraw/zinc/16/23/87/572162387.db2.gz DTWCGHYVYNHBSE-XSFVSMFZSA-N 0 2 555.410 4.137 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408528074 572163036 /nfs/dbraw/zinc/16/30/36/572163036.db2.gz ARQRYMPYKUZXII-LQKQQMOUSA-N 0 2 512.518 4.379 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408528089 572163226 /nfs/dbraw/zinc/16/32/26/572163226.db2.gz ASDINNMGAMSOQJ-DTXJCZLISA-N 0 2 527.489 4.197 40 10 KICBLN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)cc1 ZINC000408528102 572163271 /nfs/dbraw/zinc/16/32/71/572163271.db2.gz AUIOADNHNLBQEZ-DEDYPNTBSA-N 0 2 551.349 4.352 40 10 KICBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)ccc1Br ZINC000408528172 572163162 /nfs/dbraw/zinc/16/31/62/572163162.db2.gz FKHHOOCFIGSCOW-RCCKNPSSSA-N 0 2 583.464 4.123 40 10 KICBLN CN(C)C(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408528242 572162974 /nfs/dbraw/zinc/16/29/74/572162974.db2.gz FQOGFCASNGOBLP-KOEQRZSOSA-N 0 2 512.610 4.435 40 10 KICBLN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408528356 572163867 /nfs/dbraw/zinc/16/38/67/572163867.db2.gz AZXLQSSYWMDFII-NVNXTCNLSA-N 0 2 522.149 4.112 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408528437 572164373 /nfs/dbraw/zinc/16/43/73/572164373.db2.gz BGECSTPXDYEIBY-XMHGGMMESA-N 0 2 504.470 4.119 40 10 KICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)c1 ZINC000408528447 572164433 /nfs/dbraw/zinc/16/44/33/572164433.db2.gz BHGVCFLSSPVSFX-UDWIEESQSA-N 0 2 506.898 4.243 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408528457 572164690 /nfs/dbraw/zinc/16/46/90/572164690.db2.gz BILQIFZKTMLOSV-DEDYPNTBSA-N 0 2 582.350 4.494 40 10 KICBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000408528481 572164669 /nfs/dbraw/zinc/16/46/69/572164669.db2.gz GEAIHQYWMKZWOI-DTQAZKPQSA-N 0 2 575.828 4.482 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408528495 572164607 /nfs/dbraw/zinc/16/46/07/572164607.db2.gz BKFYPCFFYOBMCE-XDHOZWIPSA-N 0 2 613.320 4.094 40 10 KICBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c(N3CCOCC3)cc2[nH]1 ZINC000408528500 572164341 /nfs/dbraw/zinc/16/43/41/572164341.db2.gz GFQBHSVRFQUEQT-HAVVHWLPSA-N 0 2 582.661 4.152 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000408528522 572164488 /nfs/dbraw/zinc/16/44/88/572164488.db2.gz BMIIAVIIANUHCV-NDENLUEZSA-N 0 2 611.401 4.369 40 10 KICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)c1 ZINC000408528577 572164973 /nfs/dbraw/zinc/16/49/73/572164973.db2.gz BNVCKRXFSHHBMM-MOSHPQCFSA-N 0 2 521.323 4.343 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408528590 572165106 /nfs/dbraw/zinc/16/51/06/572165106.db2.gz BOIPKPYFMWZPQR-PXLXIMEGSA-N 0 2 500.507 4.288 40 10 KICBLN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)cc1 ZINC000408528638 572165151 /nfs/dbraw/zinc/16/51/51/572165151.db2.gz BQMHAOBXVNCBMR-DEDYPNTBSA-N 0 2 506.898 4.243 40 10 KICBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000408528642 572165232 /nfs/dbraw/zinc/16/52/32/572165232.db2.gz BQRUAHOOUOLNBQ-GDNBJRDFSA-N 0 2 569.149 4.036 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408528682 572165065 /nfs/dbraw/zinc/16/50/65/572165065.db2.gz BRLJPQKHOVIRFU-RBAGPTNGSA-N 0 2 512.518 4.379 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408528686 572165526 /nfs/dbraw/zinc/16/55/26/572165526.db2.gz BRXIELOPKKBCMC-XDHOZWIPSA-N 0 2 521.869 4.142 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNC(=O)Nc3cccc(Cl)c3Cl)C2=O)ccc1Br ZINC000408529123 572167502 /nfs/dbraw/zinc/16/75/02/572167502.db2.gz GZZMVDJXORVTBH-DHZHZOJOSA-N 0 2 512.147 4.353 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408529193 572167203 /nfs/dbraw/zinc/16/72/03/572167203.db2.gz CJVXBEVBDAFOES-ODLFYWEKSA-N 0 2 565.332 4.072 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408529299 572167999 /nfs/dbraw/zinc/16/79/99/572167999.db2.gz CPYPKHDEVIDSDQ-QZTGBSOPSA-N 0 2 531.452 4.028 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408529351 572167918 /nfs/dbraw/zinc/16/79/18/572167918.db2.gz CRRFUQDUFYILLF-BKKRHBAOSA-N 0 2 512.518 4.379 40 10 KICBLN COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc(OC)c1OC ZINC000408529688 572169442 /nfs/dbraw/zinc/16/94/42/572169442.db2.gz CXKUNWJVCSNZRN-UNOMPAQXSA-N 0 2 628.375 4.203 40 10 KICBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408529695 572169170 /nfs/dbraw/zinc/16/91/70/572169170.db2.gz CXOFRJOHOLYZLB-GDNBJRDFSA-N 0 2 522.149 4.193 40 10 KICBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408529726 572169350 /nfs/dbraw/zinc/16/93/50/572169350.db2.gz CZBKAWFRKYVHKD-DHDCSXOGSA-N 0 2 511.250 4.450 40 10 KICBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CN=c2[nH]c3ccc(Cl)cc3s2)C1=O ZINC000408529770 572169311 /nfs/dbraw/zinc/16/93/11/572169311.db2.gz HWLPXLSDGTVPER-UKTHLTGXSA-N 0 2 505.781 4.853 40 10 KICBLN COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408529774 572169452 /nfs/dbraw/zinc/16/94/52/572169452.db2.gz HWOVQXKBRNOGHN-RCCKNPSSSA-N 0 2 534.594 4.000 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408529794 572169315 /nfs/dbraw/zinc/16/93/15/572169315.db2.gz DEAOONPHBCLDRY-YBFXNURJSA-N 0 2 579.359 4.462 40 10 KICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408529798 572169823 /nfs/dbraw/zinc/16/98/23/572169823.db2.gz DENRXKOQTGESBV-UYRXBGFRSA-N 0 2 536.294 4.243 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408529803 572169959 /nfs/dbraw/zinc/16/99/59/572169959.db2.gz DFBOSEUOOLCOKL-FYJGNVAPSA-N 0 2 560.559 4.305 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408529810 572169697 /nfs/dbraw/zinc/16/96/97/572169697.db2.gz DFLQUISXZIKKIE-PXLXIMEGSA-N 0 2 500.507 4.288 40 10 KICBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4cccc5ccccc54)C3=O)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408529899 572169927 /nfs/dbraw/zinc/16/99/27/572169927.db2.gz IFUFBQJKHFUDEV-FCDQGJHFSA-N 0 2 573.613 4.327 40 10 KICBLN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408529934 572169943 /nfs/dbraw/zinc/16/99/43/572169943.db2.gz DKRUEYBFCBAWLX-AQTBWJFISA-N 0 2 539.313 4.482 40 10 KICBLN CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408530119 572170918 /nfs/dbraw/zinc/17/09/18/572170918.db2.gz ITINSBQFZRXYMM-AQTBWJFISA-N 0 2 501.333 4.081 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNC(=S)Nc3cccc4ccccc43)C2=O)ccc1Br ZINC000408530132 572170851 /nfs/dbraw/zinc/17/08/51/572170851.db2.gz ITMXSZDXZWZNOU-SFQUDFHCSA-N 0 2 509.385 4.364 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408530269 572171271 /nfs/dbraw/zinc/17/12/71/572171271.db2.gz DRDCSBNQHSJJFJ-DEDYPNTBSA-N 0 2 560.559 4.305 40 10 KICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000408530334 572171252 /nfs/dbraw/zinc/17/12/52/572171252.db2.gz FALPJBLPDVQHRK-WQRHYEAKSA-N 0 2 535.306 4.063 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408530344 572171344 /nfs/dbraw/zinc/17/13/44/572171344.db2.gz FCFQTBPHQLDZFB-NAAZAUSASA-N 0 2 557.515 4.287 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408530384 572171357 /nfs/dbraw/zinc/17/13/57/572171357.db2.gz FFHDWYNCQDQUIC-LTRZOUJXSA-N 0 2 545.479 4.418 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408530658 572172849 /nfs/dbraw/zinc/17/28/49/572172849.db2.gz FMOGTBGZKDXWML-CUIFKHMFSA-N 0 2 557.515 4.287 40 10 KICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408530817 572173377 /nfs/dbraw/zinc/17/33/77/572173377.db2.gz FWZGVSSMNZRPRS-NDENLUEZSA-N 0 2 566.320 4.252 40 10 KICBLN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408530873 572173531 /nfs/dbraw/zinc/17/35/31/572173531.db2.gz FYMSIBCWDXQBQO-NVNXTCNLSA-N 0 2 522.149 4.112 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408530895 572173559 /nfs/dbraw/zinc/17/35/59/572173559.db2.gz FZWZVOJWVNIGEV-UDWIEESQSA-N 0 2 514.490 4.008 40 10 KICBLN COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O ZINC000408530904 572174041 /nfs/dbraw/zinc/17/40/41/572174041.db2.gz JUEGGPRSODYMBV-XMHGGMMESA-N 0 2 599.463 4.454 40 10 KICBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)cc1C ZINC000408531102 572174579 /nfs/dbraw/zinc/17/45/79/572174579.db2.gz NFEMHBFECBVUTK-PYCFMQQDSA-N 0 2 658.557 4.162 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408531386 572175581 /nfs/dbraw/zinc/17/55/81/572175581.db2.gz GVEHLQXCSJRGJJ-XDHOZWIPSA-N 0 2 566.320 4.252 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408531404 572175429 /nfs/dbraw/zinc/17/54/29/572175429.db2.gz GVKRAOFXEFAKTN-BZDIYGFGSA-N 0 2 557.515 4.287 40 10 KICBLN CCn1c2cc(N=CC3C(=O)N(c4ccc(I)cc4)N=C3C)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408531447 572176182 /nfs/dbraw/zinc/17/61/82/572176182.db2.gz OCPFKBNUEGNSCG-VBKFSLOCSA-N 0 2 560.352 4.074 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000408531481 572176147 /nfs/dbraw/zinc/17/61/47/572176147.db2.gz GYGODXSOBQAXFU-ZHZULCJRSA-N 0 2 521.323 4.343 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000408531485 572176023 /nfs/dbraw/zinc/17/60/23/572176023.db2.gz GYQPDMPQZJVWLJ-DEDYPNTBSA-N 0 2 506.898 4.243 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408531534 572176204 /nfs/dbraw/zinc/17/62/04/572176204.db2.gz GZQCKEOSECKDCG-LDADJPATSA-N 0 2 564.522 4.136 40 10 KICBLN COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)cc2)cc1 ZINC000408531604 572176742 /nfs/dbraw/zinc/17/67/42/572176742.db2.gz KXKPHVBDWHLTTR-HZHRSRAPSA-N 0 2 534.594 4.000 40 10 KICBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408531613 572176470 /nfs/dbraw/zinc/17/64/70/572176470.db2.gz HCVNBDISTBHWHJ-ZHZULCJRSA-N 0 2 521.323 4.343 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408531619 572176603 /nfs/dbraw/zinc/17/66/03/572176603.db2.gz HECAAFJRBQMDQT-VLAPBQICSA-N 0 2 527.489 4.197 40 10 KICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408531839 572177612 /nfs/dbraw/zinc/17/76/12/572177612.db2.gz HHDYUSCHYTYHIQ-ODLFYWEKSA-N 0 2 549.333 4.372 40 10 KICBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000408531873 572177657 /nfs/dbraw/zinc/17/76/57/572177657.db2.gz OWYLRRPHAOKYGU-ZTKZIYFRSA-N 0 2 645.716 4.412 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(=O)c3ccc(Br)cc3)c(OC)c2)C1=O ZINC000408531971 572178133 /nfs/dbraw/zinc/17/81/33/572178133.db2.gz HQWTXPRCRQRIPF-QGOAFFKASA-N 0 2 551.349 4.352 40 10 KICBLN CCn1c2cc(N=CC3C(=O)N(c4ccc(Br)cc4)N=C3C)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408532030 572178113 /nfs/dbraw/zinc/17/81/13/572178113.db2.gz LUMCQHKISSJOKS-VBKFSLOCSA-N 0 2 513.352 4.232 40 10 KICBLN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000408532031 572178175 /nfs/dbraw/zinc/17/81/75/572178175.db2.gz HXHIJQFSEJCFKB-WBDHZMATSA-N 0 2 609.332 4.485 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Br ZINC000408532209 572179065 /nfs/dbraw/zinc/17/90/65/572179065.db2.gz MCVGZADZVDMXQR-XYOKQWHBSA-N 0 2 512.147 4.353 40 10 KICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1 ZINC000408532466 572179538 /nfs/dbraw/zinc/17/95/38/572179538.db2.gz IENMVPCZCVVEFT-RGEXLXHISA-N 0 2 538.297 4.177 40 10 KICBLN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408532529 572180151 /nfs/dbraw/zinc/18/01/51/572180151.db2.gz IHYGQZQBGBVIPE-NIFOVZITSA-N 0 2 501.426 4.019 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408532558 572180062 /nfs/dbraw/zinc/18/00/62/572180062.db2.gz IIWZDOYFRHWNEQ-VCHYOVAHSA-N 0 2 565.332 4.072 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408532593 572180272 /nfs/dbraw/zinc/18/02/72/572180272.db2.gz IKEHWLNASUVBOJ-YBFXNURJSA-N 0 2 658.401 4.211 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408532633 572180761 /nfs/dbraw/zinc/18/07/61/572180761.db2.gz IPVNNXPKFDMCLB-VPDJWLQPSA-N 0 2 527.489 4.197 40 10 KICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc2c(c1)OCO2 ZINC000408532650 572180733 /nfs/dbraw/zinc/18/07/33/572180733.db2.gz ISSZZWRAFXXPAJ-ZDLGFXPLSA-N 0 2 524.407 4.320 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccccc3)C2=O)cc1 ZINC000408532686 572180693 /nfs/dbraw/zinc/18/06/93/572180693.db2.gz ITRATVHUGYEMAI-ZHZULCJRSA-N 0 2 521.323 4.343 40 10 KICBLN COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000408532700 572180572 /nfs/dbraw/zinc/18/05/72/572180572.db2.gz QUDWMQVMHDQYPO-PXLXIMEGSA-N 0 2 548.621 4.308 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccccc2)C1=O ZINC000408532735 572181072 /nfs/dbraw/zinc/18/10/72/572181072.db2.gz IWEOTAWYBPFYDU-JXAWBTAJSA-N 0 2 521.323 4.343 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408533050 572182239 /nfs/dbraw/zinc/18/22/39/572182239.db2.gz JEQUVACRXOVPPT-SFQUDFHCSA-N 0 2 572.311 4.169 40 10 KICBLN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2OC)cc1 ZINC000408533070 572182025 /nfs/dbraw/zinc/18/20/25/572182025.db2.gz JIYSXSHMIUVPGQ-DEDYPNTBSA-N 0 2 598.349 4.194 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408533073 572182256 /nfs/dbraw/zinc/18/22/56/572182256.db2.gz JJACWRKXOXXDSB-CIAFOILYSA-N 0 2 576.558 4.005 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408533161 572182192 /nfs/dbraw/zinc/18/21/92/572182192.db2.gz JMPZHEVRBWJDBT-PZBCRXGTSA-N 0 2 545.479 4.418 40 10 KICBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(I)cc2)C1=O ZINC000408533184 572182582 /nfs/dbraw/zinc/18/25/82/572182582.db2.gz OEZSLPYWRVUXRG-XNTDXEJSSA-N 0 2 540.155 4.195 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408533292 572182641 /nfs/dbraw/zinc/18/26/41/572182641.db2.gz JVYUQFUJLHJQEX-ZAMXYLRYSA-N 0 2 527.489 4.197 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408533295 572182772 /nfs/dbraw/zinc/18/27/72/572182772.db2.gz JWHVAEDIIALCKV-SFQUDFHCSA-N 0 2 539.313 4.482 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)N4CCCCC4)cc3)C2=O)c(C)cc1Br ZINC000408533470 572183540 /nfs/dbraw/zinc/18/35/40/572183540.db2.gz SIWHYTRXSZUWMM-XMHGGMMESA-N 0 2 525.403 4.271 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408533549 572183627 /nfs/dbraw/zinc/18/36/27/572183627.db2.gz KAWLYSLKRDKBDM-XBXPHJQFSA-N 0 2 639.358 4.493 40 10 KICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408533559 572183531 /nfs/dbraw/zinc/18/35/31/572183531.db2.gz KBGOMVKOOOWDIA-ODLFYWEKSA-N 0 2 549.333 4.372 40 10 KICBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3Br)cc2)C1=O ZINC000408533562 572183650 /nfs/dbraw/zinc/18/36/50/572183650.db2.gz OKXWXJUQVRGWPE-XDJHFCHBSA-N 0 2 569.437 4.391 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408533567 572183546 /nfs/dbraw/zinc/18/35/46/572183546.db2.gz KDSJYZQEUBXCHZ-HMMYKYKNSA-N 0 2 500.507 4.288 40 10 KICBLN O=C(Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408533659 572184026 /nfs/dbraw/zinc/18/40/26/572184026.db2.gz KKKORJMAQATYGL-ATVHPVEESA-N 0 2 554.284 4.382 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408533668 572183951 /nfs/dbraw/zinc/18/39/51/572183951.db2.gz KKTDWKBEYFEMHO-KGENOOAVSA-N 0 2 515.478 4.188 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408533727 572184566 /nfs/dbraw/zinc/18/45/66/572184566.db2.gz KOYLKXPPEPJOFE-PXLXIMEGSA-N 0 2 500.507 4.288 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408534026 572185231 /nfs/dbraw/zinc/18/52/31/572185231.db2.gz KUJZBMSQPRGQJL-LJDCBMQGSA-N 0 2 639.358 4.493 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccccc3I)C2=O)c(C)cc1Br ZINC000408534093 572185237 /nfs/dbraw/zinc/18/52/37/572185237.db2.gz UUKWDMBDQLVXKQ-FMIVXFBMSA-N 0 2 540.155 4.249 40 10 KICBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3cc(O)cc(c32)C1=O ZINC000408534107 572185280 /nfs/dbraw/zinc/18/52/80/572185280.db2.gz UVONBIAOJIAOBO-WGOQTCKBSA-N 0 2 576.609 4.281 40 10 KICBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)ccc1Br ZINC000408534208 572185781 /nfs/dbraw/zinc/18/57/81/572185781.db2.gz PRPNISHGONAENR-RCCKNPSSSA-N 0 2 616.472 4.477 40 10 KICBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2OC)C1=O ZINC000408534232 572185625 /nfs/dbraw/zinc/18/56/25/572185625.db2.gz PTNCSIWUUWZJER-HMMYKYKNSA-N 0 2 599.463 4.400 40 10 KICBLN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O ZINC000408534264 572185812 /nfs/dbraw/zinc/18/58/12/572185812.db2.gz QAEHPQPJPJRRNR-KAMYIIQDSA-N 0 2 541.406 4.073 40 10 KICBLN Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1C ZINC000408534293 572185676 /nfs/dbraw/zinc/18/56/76/572185676.db2.gz QEIXBOVGFPZLCO-MHWRWJLKSA-N 0 2 501.406 4.136 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c(C)cc1Br ZINC000408534409 572186005 /nfs/dbraw/zinc/18/60/05/572186005.db2.gz VMBFCJYNNBIWFU-XYOKQWHBSA-N 0 2 505.781 4.908 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408534445 572186086 /nfs/dbraw/zinc/18/60/86/572186086.db2.gz LZJFMLQVOWLTQZ-DEDYPNTBSA-N 0 2 627.347 4.484 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000408534484 572186169 /nfs/dbraw/zinc/18/61/69/572186169.db2.gz MCPJAVPIRUPQHJ-PDGQHHTCSA-N 0 2 611.401 4.369 40 10 KICBLN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000408534601 572186499 /nfs/dbraw/zinc/18/64/99/572186499.db2.gz MJOIBIODBJTGKL-KOTFUQRNSA-N 0 2 609.332 4.485 40 10 KICBLN COc1cc(N2N=C(C)C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)ccc1Cl ZINC000408534701 572186460 /nfs/dbraw/zinc/18/64/60/572186460.db2.gz WLWFOQDVTOKPIU-MOSHPQCFSA-N 0 2 527.006 4.275 40 10 KICBLN COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408534769 572186948 /nfs/dbraw/zinc/18/69/48/572186948.db2.gz RBTQXUFFMYAJPF-NBVRZTHBSA-N 0 2 540.985 4.037 40 10 KICBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC(=S)Nc2ccc(C)c(C)c2)C1=O ZINC000408534783 572187089 /nfs/dbraw/zinc/18/70/89/572187089.db2.gz RDYHWINENWHYFN-GZTJUZNOSA-N 0 2 501.406 4.082 40 10 KICBLN O=C(Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1 ZINC000408534956 572187659 /nfs/dbraw/zinc/18/76/59/572187659.db2.gz NCFPQOFTKXOOOR-LGMDPLHJSA-N 0 2 509.287 4.474 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408534971 572187588 /nfs/dbraw/zinc/18/75/88/572187588.db2.gz NDYCTOKAAZDNTL-MOSHPQCFSA-N 0 2 566.320 4.252 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408535294 572188238 /nfs/dbraw/zinc/18/82/38/572188238.db2.gz NLXJTXDVGAJWBP-FYJGNVAPSA-N 0 2 560.559 4.305 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408535301 572188338 /nfs/dbraw/zinc/18/83/38/572188338.db2.gz NMEUDQZJLMSTCT-SFQUDFHCSA-N 0 2 525.311 4.326 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408535334 572188254 /nfs/dbraw/zinc/18/82/54/572188254.db2.gz NQGYOXGSHLMFGX-HYARGMPZSA-N 0 2 500.507 4.288 40 10 KICBLN Cc1cc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1Br ZINC000408535360 572188300 /nfs/dbraw/zinc/18/83/00/572188300.db2.gz SLCIHIGMYGRFOO-NTEUORMPSA-N 0 2 536.180 4.117 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408535364 572188343 /nfs/dbraw/zinc/18/83/43/572188343.db2.gz NTZYWINSEKBGNR-ZLINDNQKSA-N 0 2 531.452 4.028 40 10 KICBLN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408535392 572188370 /nfs/dbraw/zinc/18/83/70/572188370.db2.gz NXIYFWOBBVRKLJ-ZSOIEALJSA-N 0 2 522.149 4.112 40 10 KICBLN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000408535415 572188742 /nfs/dbraw/zinc/18/87/42/572188742.db2.gz NZTZOUPKFSVESA-RGEXLXHISA-N 0 2 551.349 4.352 40 10 KICBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O ZINC000408535497 572188634 /nfs/dbraw/zinc/18/86/34/572188634.db2.gz YPHDHYVKBHMIQH-SILNSSARSA-N 0 2 616.476 4.245 40 10 KICBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CN=c2[nH]c3ccc(Br)cc3s2)C1=O ZINC000408535520 572188575 /nfs/dbraw/zinc/18/85/75/572188575.db2.gz YSPMGJZWTDUCRE-UKTHLTGXSA-N 0 2 550.232 4.963 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ncc(Br)cc3Br)C2=O)ccc1Br ZINC000408535530 572188619 /nfs/dbraw/zinc/18/86/19/572188619.db2.gz TVCAJCIMKAFPQP-YRNVUSSQSA-N 0 2 559.012 4.256 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408535678 572189250 /nfs/dbraw/zinc/18/92/50/572189250.db2.gz OKVXLUWEEYKPIU-CPNJWEJPSA-N 0 2 568.323 4.185 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408535757 572189118 /nfs/dbraw/zinc/18/91/18/572189118.db2.gz ORECTBAPGMKMMQ-YYLVAKQMSA-N 0 2 527.489 4.197 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408535884 572189832 /nfs/dbraw/zinc/18/98/32/572189832.db2.gz OWOFFCPBVOFFGX-CPNJWEJPSA-N 0 2 576.558 4.005 40 10 KICBLN CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408535992 572190263 /nfs/dbraw/zinc/19/02/63/572190263.db2.gz PKKLJSBNGVCWOD-WQLSENKSSA-N 0 2 540.139 4.333 40 10 KICBLN CCOC(=O)c1sc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)c(C(=O)OCC)c1C ZINC000408535995 572190345 /nfs/dbraw/zinc/19/03/45/572190345.db2.gz VDBWDJKOEANSCL-GHRIWEEISA-N 0 2 521.551 4.142 40 10 KICBLN Cc1cc(S(N)(=O)=O)ccc1NC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408535999 572190310 /nfs/dbraw/zinc/19/03/10/572190310.db2.gz VDSNXDHXULJTQG-KGENOOAVSA-N 0 2 613.534 4.452 40 10 KICBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000408536058 572190218 /nfs/dbraw/zinc/19/02/18/572190218.db2.gz VMYGLHIDXDYXCD-HAVVHWLPSA-N 0 2 512.547 4.219 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408536169 572190292 /nfs/dbraw/zinc/19/02/92/572190292.db2.gz QCTUXIZANWOMDW-XDHOZWIPSA-N 0 2 514.490 4.008 40 10 KICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 ZINC000408536250 572190764 /nfs/dbraw/zinc/19/07/64/572190764.db2.gz QRRIGQHXKHKCTR-JAIQZWGSSA-N 0 2 611.401 4.369 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408536404 572191050 /nfs/dbraw/zinc/19/10/50/572191050.db2.gz RIJULONOIYLEIX-CRHXMUGCSA-N 0 2 557.515 4.287 40 10 KICBLN COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000408536452 572191190 /nfs/dbraw/zinc/19/11/90/572191190.db2.gz RLYSBDDQCSRVDU-BOPFTXTBSA-N 0 2 599.365 4.500 40 10 KICBLN Cc1nn(-c2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408536506 572191083 /nfs/dbraw/zinc/19/10/83/572191083.db2.gz WPYYFRMDLWBMSJ-LDADJPATSA-N 0 2 508.376 4.447 40 10 KICBLN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408536591 572191801 /nfs/dbraw/zinc/19/18/01/572191801.db2.gz WTOWBOYECRMOSJ-SDNWHVSQSA-N 0 2 541.406 4.073 40 10 KICBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408536596 572191766 /nfs/dbraw/zinc/19/17/66/572191766.db2.gz SEJDDDNLQCXJKI-ZHZULCJRSA-N 0 2 568.323 4.185 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408536661 572191581 /nfs/dbraw/zinc/19/15/81/572191581.db2.gz SKAMRGVJWWNDRT-HYARGMPZSA-N 0 2 500.507 4.288 40 10 KICBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000408536696 572192150 /nfs/dbraw/zinc/19/21/50/572192150.db2.gz XJUVNJRHVFAYHV-FYJGNVAPSA-N 0 2 603.429 4.450 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)C1=O ZINC000408536724 572192083 /nfs/dbraw/zinc/19/20/83/572192083.db2.gz XOYRRPYNCMNDCN-OQKWZONESA-N 0 2 542.573 4.228 40 10 KICBLN CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4CC)C3=O)cc2)cc1 ZINC000408536728 572192191 /nfs/dbraw/zinc/19/21/91/572192191.db2.gz XPUXXVOQZDBZSO-HAVVHWLPSA-N 0 2 534.594 4.027 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408536810 572192156 /nfs/dbraw/zinc/19/21/56/572192156.db2.gz SNGHMADNMYYTDB-CPNJWEJPSA-N 0 2 521.323 4.343 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408536876 572192916 /nfs/dbraw/zinc/19/29/16/572192916.db2.gz SXIVRDUMWZJUAA-HMMYKYKNSA-N 0 2 500.507 4.288 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408536877 572192848 /nfs/dbraw/zinc/19/28/48/572192848.db2.gz SXWNMNLOODLRKK-RCCKNPSSSA-N 0 2 500.507 4.288 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408536882 572192863 /nfs/dbraw/zinc/19/28/63/572192863.db2.gz SYXWZIPLKUVIGX-AQTBWJFISA-N 0 2 566.320 4.252 40 10 KICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408536944 572192875 /nfs/dbraw/zinc/19/28/75/572192875.db2.gz UCFWSOJXNFQKJJ-UYRXBGFRSA-N 0 2 583.294 4.085 40 10 KICBLN Cc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)cc1 ZINC000408536976 572192894 /nfs/dbraw/zinc/19/28/94/572192894.db2.gz YPGODLMSUNTEGB-KGENOOAVSA-N 0 2 569.437 4.446 40 10 KICBLN O=C(Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc2c(c1)OCO2 ZINC000408536991 572192842 /nfs/dbraw/zinc/19/28/42/572192842.db2.gz UGJVJAGKHMHGSD-YBEGLDIGSA-N 0 2 553.296 4.203 40 10 KICBLN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408537005 572193426 /nfs/dbraw/zinc/19/34/26/572193426.db2.gz UIFKEPHNXYIGOM-AUWJEWJLSA-N 0 2 542.567 4.457 40 10 KICBLN COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408537011 572193339 /nfs/dbraw/zinc/19/33/39/572193339.db2.gz YTZHIIVHURYDAK-XMHGGMMESA-N 0 2 585.436 4.146 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408537029 572193437 /nfs/dbraw/zinc/19/34/37/572193437.db2.gz UKICARRKBNKIST-PXLXIMEGSA-N 0 2 500.507 4.288 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408537048 572193423 /nfs/dbraw/zinc/19/34/23/572193423.db2.gz UKTSTNLGIVTUSE-YBFXNURJSA-N 0 2 534.908 4.353 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408537071 572193219 /nfs/dbraw/zinc/19/32/19/572193219.db2.gz UMAJXRWMMAGQPH-MHWRWJLKSA-N 0 2 500.385 4.193 40 10 KICBLN CCCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 ZINC000408537102 572193385 /nfs/dbraw/zinc/19/33/85/572193385.db2.gz ZDGHILUCOARBQC-SFQUDFHCSA-N 0 2 500.349 4.212 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408537129 572193401 /nfs/dbraw/zinc/19/34/01/572193401.db2.gz UPGQAHCYRJTGIF-VIQQRITCSA-N 0 2 557.515 4.287 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537155 572193811 /nfs/dbraw/zinc/19/38/11/572193811.db2.gz URWPRCFYRCJQRC-QGOAFFKASA-N 0 2 519.441 4.018 40 10 KICBLN COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000408537156 572193831 /nfs/dbraw/zinc/19/38/31/572193831.db2.gz ZIQFWYZWESUROG-RCCKNPSSSA-N 0 2 548.621 4.308 40 10 KICBLN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408537274 572193727 /nfs/dbraw/zinc/19/37/27/572193727.db2.gz UXEMDJCNZDPHOH-STZFKDTASA-N 0 2 551.349 4.352 40 10 KICBLN Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000408537278 572193773 /nfs/dbraw/zinc/19/37/73/572193773.db2.gz UXZPQADVZTYJGO-ZHZULCJRSA-N 0 2 552.324 4.485 40 10 KICBLN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408537295 572193744 /nfs/dbraw/zinc/19/37/44/572193744.db2.gz UYWADADOGIUQID-BKUYFWCQSA-N 0 2 551.349 4.352 40 10 KICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408537322 572194385 /nfs/dbraw/zinc/19/43/85/572194385.db2.gz VGSVWEAPFULQFK-GRSHGNNSSA-N 0 2 565.332 4.072 40 10 KICBLN CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O ZINC000408537323 572194455 /nfs/dbraw/zinc/19/44/55/572194455.db2.gz VGXBXSYGEVJEEB-LCYFTJDESA-N 0 2 552.175 4.202 40 10 KICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)C2=O)c1 ZINC000408537364 572194247 /nfs/dbraw/zinc/19/42/47/572194247.db2.gz VNDUQENVLOEAJN-UDWIEESQSA-N 0 2 551.349 4.352 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000408537504 572194871 /nfs/dbraw/zinc/19/48/71/572194871.db2.gz VTFNEMRFOGECBF-QGOAFFKASA-N 0 2 506.898 4.243 40 10 KICBLN CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(OC)c2)C1=O ZINC000408537574 572195089 /nfs/dbraw/zinc/19/50/89/572195089.db2.gz WIXNGYFIRKKXFY-NVNXTCNLSA-N 0 2 552.175 4.202 40 10 KICBLN COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC ZINC000408537668 572195730 /nfs/dbraw/zinc/19/57/30/572195730.db2.gz WOXPTVUOOZLYFM-UNOMPAQXSA-N 0 2 581.375 4.361 40 10 KICBLN COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000408537676 572195518 /nfs/dbraw/zinc/19/55/18/572195518.db2.gz WPTDCXADADRHOY-UNOMPAQXSA-N 0 2 536.924 4.251 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408537700 572195781 /nfs/dbraw/zinc/19/57/81/572195781.db2.gz WRSDNINJYNUBAX-VLAPBQICSA-N 0 2 527.489 4.197 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408537716 572195690 /nfs/dbraw/zinc/19/56/90/572195690.db2.gz WSSSDJHQBZHPSC-YBFXNURJSA-N 0 2 566.950 4.260 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408537719 572195719 /nfs/dbraw/zinc/19/57/19/572195719.db2.gz WTDPYTCFDJBRQS-KGENOOAVSA-N 0 2 515.478 4.188 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)C2=O)cc1 ZINC000408537774 572196205 /nfs/dbraw/zinc/19/62/05/572196205.db2.gz XEAXLIRYRLSAFD-DEDYPNTBSA-N 0 2 551.349 4.352 40 10 KICBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000408537795 572196095 /nfs/dbraw/zinc/19/60/95/572196095.db2.gz XIBLTXNDJOJZOV-WQRHYEAKSA-N 0 2 549.333 4.372 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408537803 572196247 /nfs/dbraw/zinc/19/62/47/572196247.db2.gz XJJUZQKBEVDJHB-DEDYPNTBSA-N 0 2 582.350 4.494 40 10 KICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccccc3)C2=O)c1 ZINC000408537825 572196146 /nfs/dbraw/zinc/19/61/46/572196146.db2.gz XLJSTSWTOVPLFS-MOSHPQCFSA-N 0 2 521.323 4.343 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccc(Br)cc2)C1=O ZINC000408537996 572196569 /nfs/dbraw/zinc/19/65/69/572196569.db2.gz YGQZHJSTDNQOCY-JXAWBTAJSA-N 0 2 521.323 4.343 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408538001 572196419 /nfs/dbraw/zinc/19/64/19/572196419.db2.gz YILNSUNFPIQBOI-UDWIEESQSA-N 0 2 514.490 4.008 40 10 KICBLN Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000408538008 572196499 /nfs/dbraw/zinc/19/64/99/572196499.db2.gz YKGDIDVSXDXROI-ZHZULCJRSA-N 0 2 552.324 4.485 40 10 KICBLN CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408538026 572196868 /nfs/dbraw/zinc/19/68/68/572196868.db2.gz YNZXBUAQZRXGMI-DHDCSXOGSA-N 0 2 552.175 4.202 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408538048 572197098 /nfs/dbraw/zinc/19/70/98/572197098.db2.gz YRIVVFOZLFNEDB-GIJQJNRQSA-N 0 2 554.433 4.328 40 10 KICBLN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000408538158 572196917 /nfs/dbraw/zinc/19/69/17/572196917.db2.gz YXCDKGAYZZRWKO-AUWJEWJLSA-N 0 2 634.018 4.408 40 10 KICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(Br)cc1 ZINC000408538184 572196858 /nfs/dbraw/zinc/19/68/58/572196858.db2.gz ZAUWAUBVSVNBPO-LGMDPLHJSA-N 0 2 509.287 4.474 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408538205 572197432 /nfs/dbraw/zinc/19/74/32/572197432.db2.gz ZEDWCPBIIHTCDM-YBFXNURJSA-N 0 2 611.401 4.369 40 10 KICBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000408538214 572197426 /nfs/dbraw/zinc/19/74/26/572197426.db2.gz ZGDFJGVHRVQZJV-BOPFTXTBSA-N 0 2 565.332 4.072 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408538234 572197424 /nfs/dbraw/zinc/19/74/24/572197424.db2.gz ZKMYCXHFMBPLKJ-YBFXNURJSA-N 0 2 626.359 4.304 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408538235 572197624 /nfs/dbraw/zinc/19/76/24/572197624.db2.gz ZKXFBTMHBMBHFP-FYJGNVAPSA-N 0 2 576.558 4.005 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408538240 572197558 /nfs/dbraw/zinc/19/75/58/572197558.db2.gz ZMQHNPLYTICHBH-BAWSUDPCSA-N 0 2 557.515 4.287 40 10 KICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408538280 572197572 /nfs/dbraw/zinc/19/75/72/572197572.db2.gz ZYFRPODZSFCKDZ-UNOMPAQXSA-N 0 2 525.395 4.499 40 10 KICBLN COc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408538392 572198195 /nfs/dbraw/zinc/19/81/95/572198195.db2.gz MDTDEIJWBJXOKK-JLPGSUDCSA-N 0 2 514.582 4.451 40 10 KICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)ccc1Br ZINC000408539141 572200914 /nfs/dbraw/zinc/20/09/14/572200914.db2.gz UDVULGXNDRCSLP-CAPFRKAQSA-N 0 2 616.476 4.245 40 10 KICBLN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)c3ccccc32)c1 ZINC000408540957 572207601 /nfs/dbraw/zinc/20/76/01/572207601.db2.gz AAAFJITWMJTHLX-OEAKJJBVSA-N 0 2 539.544 4.160 40 10 KICBLN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c3ccccc32)c1 ZINC000408542073 572209609 /nfs/dbraw/zinc/20/96/09/572209609.db2.gz GTSDKKSOUHOCEU-BUVRLJJBSA-N 0 2 509.518 4.151 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542104 572209620 /nfs/dbraw/zinc/20/96/20/572209620.db2.gz HBHAWAURRWSQAP-BUVRLJJBSA-N 0 2 583.597 4.295 40 10 KICBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccccc2I)C1=O ZINC000408549921 572232946 /nfs/dbraw/zinc/23/29/46/572232946.db2.gz BPLJAZWCIUAJGH-UKTHLTGXSA-N 0 2 511.113 4.029 40 10 KICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551392 572236127 /nfs/dbraw/zinc/23/61/27/572236127.db2.gz KPUBKYPPJDIBKI-ZDLGFXPLSA-N 0 2 556.358 4.392 40 10 KICBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552082 572237719 /nfs/dbraw/zinc/23/77/19/572237719.db2.gz HDSLIYLZTXVRSK-ODLFYWEKSA-N 0 2 526.332 4.383 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 ZINC000408552159 572237738 /nfs/dbraw/zinc/23/77/38/572237738.db2.gz HRRGUVQMELSVHQ-NDENLUEZSA-N 0 2 568.369 4.464 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1 ZINC000408552605 572238585 /nfs/dbraw/zinc/23/85/85/572238585.db2.gz RKZQDBMKQXFXSV-ODLFYWEKSA-N 0 2 598.395 4.473 40 10 KICBLN O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552909 572239641 /nfs/dbraw/zinc/23/96/41/572239641.db2.gz LPYVADPCNDDJBQ-WQRHYEAKSA-N 0 2 526.332 4.383 40 10 KICBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408554019 572241399 /nfs/dbraw/zinc/24/13/99/572241399.db2.gz YGRQKIUKGFTNJO-ODLFYWEKSA-N 0 2 526.332 4.383 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1 ZINC000408554093 572241414 /nfs/dbraw/zinc/24/14/14/572241414.db2.gz ZBAKERSDPUKTKL-NDENLUEZSA-N 0 2 568.369 4.464 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408554254 572241716 /nfs/dbraw/zinc/24/17/16/572241716.db2.gz RAWCNNZEWWTZKP-UNOMPAQXSA-N 0 2 568.369 4.464 40 10 KICBLN COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000408632286 572288601 /nfs/dbraw/zinc/28/86/01/572288601.db2.gz PRESRJSKYGWEGS-UDWIEESQSA-N 0 2 530.994 4.012 40 10 KICBLN C[NH+]1CCN(c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000408634095 572291010 /nfs/dbraw/zinc/29/10/10/572291010.db2.gz OWQOEKFILMEINI-CPNJWEJPSA-N 0 2 500.968 4.003 40 10 KICBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408768618 1064290754 /nfs/dbraw/zinc/29/07/54/1064290754.db2.gz YZCOAPIWWIAPTQ-VGOFMYFVSA-N 0 2 680.620 4.158 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC ZINC000408769169 1064290541 /nfs/dbraw/zinc/29/05/41/1064290541.db2.gz PKGOQHMOWMMHGQ-MHWRWJLKSA-N 0 2 520.323 4.063 40 10 KICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408769283 1064290725 /nfs/dbraw/zinc/29/07/25/1064290725.db2.gz QKILSDPAVOMYID-BUVRLJJBSA-N 0 2 504.974 4.251 40 10 KICBLN CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408769335 1064290974 /nfs/dbraw/zinc/29/09/74/1064290974.db2.gz RJDCKADVQXIZAA-CXUHLZMHSA-N 0 2 551.777 4.110 40 10 KICBLN CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I ZINC000408771797 1064291017 /nfs/dbraw/zinc/29/10/17/1064291017.db2.gz IEBNJFWQSMAJRW-RIYZIHGNSA-N 0 2 602.166 4.269 40 10 KICBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I ZINC000408772290 1064289771 /nfs/dbraw/zinc/28/97/71/1064289771.db2.gz NSCMDCGONSWBBD-NTUHNPAUSA-N 0 2 541.139 4.037 40 10 KICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408773634 1064289636 /nfs/dbraw/zinc/28/96/36/1064289636.db2.gz SIJNCWYSZPSHGF-LFVJCYFKSA-N 0 2 504.974 4.251 40 10 KICBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408776159 1064290315 /nfs/dbraw/zinc/29/03/15/1064290315.db2.gz MSSSAPAUWUSGKU-CXUHLZMHSA-N 0 2 507.326 4.000 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC ZINC000408778232 1064290823 /nfs/dbraw/zinc/29/08/23/1064290823.db2.gz RIUCHGWMOWGQPW-LICLKQGHSA-N 0 2 534.350 4.372 40 10 KICBLN CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC ZINC000408778552 1064290210 /nfs/dbraw/zinc/29/02/10/1064290210.db2.gz HCEVBKCWIVPZKW-WUXMJOGZSA-N 0 2 586.766 4.036 40 10 KICBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408778742 1064290052 /nfs/dbraw/zinc/29/00/52/1064290052.db2.gz YATGFPFIWNOTHU-AWNIVKPZSA-N 0 2 572.593 4.083 40 10 KICBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408779164 1064291035 /nfs/dbraw/zinc/29/10/35/1064291035.db2.gz AXITWWYXXRJBFH-VGOFMYFVSA-N 0 2 633.620 4.315 40 10 KICBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I ZINC000408780273 1064290264 /nfs/dbraw/zinc/29/02/64/1064290264.db2.gz AJIVYXJEVJGYEJ-VGOFMYFVSA-N 0 2 602.166 4.188 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCC ZINC000408781197 1064289830 /nfs/dbraw/zinc/28/98/30/1064289830.db2.gz ANKLMNPBEOETNC-NTUHNPAUSA-N 0 2 600.793 4.426 40 10 KICBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408781607 1064292313 /nfs/dbraw/zinc/29/23/13/1064292313.db2.gz CFIBHMZRIUVJTJ-WUXMJOGZSA-N 0 2 608.557 4.224 40 10 KICBLN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(OCC)c4)C3=O)c2C)cc1 ZINC000408782767 1064292567 /nfs/dbraw/zinc/29/25/67/1064292567.db2.gz YZGGXFNRLZJXJY-BUVRLJJBSA-N 0 2 501.539 4.336 40 10 KICBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408783208 1064292442 /nfs/dbraw/zinc/29/24/42/1064292442.db2.gz MEJMOAHOGPTYOI-VGOFMYFVSA-N 0 2 542.169 4.364 40 10 KICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408785661 1064291699 /nfs/dbraw/zinc/29/16/99/1064291699.db2.gz ALXIPXMZVDCPAF-BUVRLJJBSA-N 0 2 549.425 4.360 40 10 KICBLN CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408787321 1064291351 /nfs/dbraw/zinc/29/13/51/1064291351.db2.gz XOWGUUKKGRTZIZ-LICLKQGHSA-N 0 2 534.350 4.372 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000408795273 1064291678 /nfs/dbraw/zinc/29/16/78/1064291678.db2.gz BUBMUROEJYPWGW-VGOFMYFVSA-N 0 2 526.714 4.018 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408797819 1064292115 /nfs/dbraw/zinc/29/21/15/1064292115.db2.gz HCLKZSIVSYJGDW-LPYMAVHISA-N 0 2 520.925 4.381 40 10 KICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408797974 1064291547 /nfs/dbraw/zinc/29/15/47/1064291547.db2.gz HKGARVBKDXWDNQ-YDZHTSKRSA-N 0 2 501.495 4.466 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCC ZINC000408798316 1064291611 /nfs/dbraw/zinc/29/16/11/1064291611.db2.gz HQNZLWXXZZHTBE-MHWRWJLKSA-N 0 2 520.323 4.063 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408800219 1064292355 /nfs/dbraw/zinc/29/23/55/1064292355.db2.gz NWEKRNUJWGHCPR-HYARGMPZSA-N 0 2 500.507 4.036 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408801143 1064292046 /nfs/dbraw/zinc/29/20/46/1064292046.db2.gz UFOSBEVXUAQSLN-FYJGNVAPSA-N 0 2 501.495 4.466 40 10 KICBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC ZINC000408801735 1064291956 /nfs/dbraw/zinc/29/19/56/1064291956.db2.gz BGTASSFXOYICML-LDADJPATSA-N 0 2 500.935 4.371 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C ZINC000408801756 1064292075 /nfs/dbraw/zinc/29/20/75/1064292075.db2.gz BKYIIJQFYGMOSF-CXUHLZMHSA-N 0 2 534.350 4.370 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408802101 1064292172 /nfs/dbraw/zinc/29/21/72/1064292172.db2.gz CZEZEABLHOKXLP-MHWRWJLKSA-N 0 2 520.323 4.144 40 10 KICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408806890 1064292402 /nfs/dbraw/zinc/29/24/02/1064292402.db2.gz NNVKNXMMYJFYRA-FYJGNVAPSA-N 0 2 501.495 4.466 40 10 KICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408807552 1064291726 /nfs/dbraw/zinc/29/17/26/1064291726.db2.gz DCJBPROYAYYJEX-HZHRSRAPSA-N 0 2 514.534 4.426 40 10 KICBLN CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408812421 1064273402 /nfs/dbraw/zinc/27/34/02/1064273402.db2.gz MXJIPLFODBOFBS-MDWZMJQESA-N 0 2 540.741 4.327 40 10 KICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408812834 1064273323 /nfs/dbraw/zinc/27/33/23/1064273323.db2.gz XICCDALUUSVVEH-LPYMAVHISA-N 0 2 501.495 4.466 40 10 KICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408851390 1064273216 /nfs/dbraw/zinc/27/32/16/1064273216.db2.gz JSODALFCWQWKMN-RGVLZGJSSA-N 0 2 504.470 4.199 40 10 KICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C2=O)c1 ZINC000408853150 195495102 /nfs/dbraw/zinc/49/51/02/195495102.db2.gz MGOMSGDGAAAGKL-CIAFOILYSA-N 0 2 560.559 4.467 40 10 KICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3Br)C2=O)cc1 ZINC000408890212 1064273954 /nfs/dbraw/zinc/27/39/54/1064273954.db2.gz PSOHLXPTSWVNIW-FYJGNVAPSA-N 0 2 565.376 4.490 40 10 KICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409085530 1064275441 /nfs/dbraw/zinc/27/54/41/1064275441.db2.gz SIRMYZIQVGPLES-WOJGMQOQSA-N 0 2 563.435 4.269 40 10 KICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089707 1064275632 /nfs/dbraw/zinc/27/56/32/1064275632.db2.gz JSQXWMQOTUMSPU-FRKPEAEDSA-N 0 2 675.304 4.483 40 10 KICBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000409225928 1064277305 /nfs/dbraw/zinc/27/73/05/1064277305.db2.gz TVAXSEHHDLOSGB-XQNSMLJCSA-N 0 2 543.576 4.476 40 10 KICBLN