smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000008989978 553196799 /nfs/dbraw/zinc/19/67/99/553196799.db2.gz UNUCUEVXKLZGRX-MOSHPQCFSA-N 0 2 506.544 2.781 40 10 KFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1 ZINC000009259935 553227991 /nfs/dbraw/zinc/22/79/91/553227991.db2.gz FPGBOAFEBLHQHK-HMAPJEAMSA-N 0 2 502.527 2.565 40 10 KFCBLN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(I)c(O)c(I)c1 ZINC000059093000 554377602 /nfs/dbraw/zinc/37/76/02/554377602.db2.gz PWSRLUODWCPYQC-YRNVUSSQSA-N 0 2 542.136 2.904 40 10 KFCBLN CCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c4oc5c(c(=O)c4c(O)c31)[C@@H](O)[C@@H](O)C[C@@H]5O)C2=O ZINC000060091384 554501951 /nfs/dbraw/zinc/50/19/51/554501951.db2.gz VXXQRIDYOXHDCN-MZFXBISCSA-N 0 2 581.961 2.572 40 10 biogenic,in-vitro KFCBLN COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100165282 554236477 /nfs/dbraw/zinc/23/64/77/554236477.db2.gz PJSNKSZOCDGHJD-YVLHZVERSA-N 0 2 558.456 2.880 40 10 KFCBLN COC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(I)cc(I)c3O)C2=O)cc1 ZINC000100165562 554236556 /nfs/dbraw/zinc/23/65/56/554236556.db2.gz GXRDZZDHUCTVAH-NTUHNPAUSA-N 0 2 590.111 2.849 40 10 KFCBLN COc1cc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000100951247 554537562 /nfs/dbraw/zinc/53/75/62/554537562.db2.gz GPQXFUDXXGTOOG-NVNXTCNLSA-N 0 2 568.783 2.949 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5cc(O)cc(c54)C3=O)C2=O)ccc1Br ZINC000100959056 554541688 /nfs/dbraw/zinc/54/16/88/554541688.db2.gz MUWZIOBRCXZFIO-YVLHZVERSA-N 0 2 535.310 2.884 40 10 KFCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3[N+](=O)[O-])C2=O)cc1C ZINC000100959076 554541865 /nfs/dbraw/zinc/54/18/65/554541865.db2.gz OBQWOXBXCYXZFM-YFHOEESVSA-N 0 2 515.280 2.723 40 10 KFCBLN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21)N1CCOCC1 ZINC000101504416 554789460 /nfs/dbraw/zinc/78/94/60/554789460.db2.gz AKVKHZNKSNCKCR-UDWIEESQSA-N 0 2 537.370 2.929 40 10 KFCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000103844147 571362838 /nfs/dbraw/zinc/36/28/38/571362838.db2.gz CBDXLZWHRRLPQU-MKMNVTDBSA-N 0 2 547.314 2.795 40 10 KFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000103846198 571363452 /nfs/dbraw/zinc/36/34/52/571363452.db2.gz RZALPXIEPCIBSN-XCVCLJGOSA-N 0 2 604.094 2.997 40 10 KFCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000103849735 571364103 /nfs/dbraw/zinc/36/41/03/571364103.db2.gz OHZVVMUCSLFZAA-RIYZIHGNSA-N 0 2 524.242 2.649 40 10 KFCBLN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103849952 571364342 /nfs/dbraw/zinc/36/43/42/571364342.db2.gz LXJGXFUQRSCNLH-VGOFMYFVSA-N 0 2 554.268 2.657 40 10 KFCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103920234 571369669 /nfs/dbraw/zinc/36/96/69/571369669.db2.gz BCMLQADAVUPYJJ-BKUYFWCQSA-N 0 2 510.459 2.820 40 10 KFCBLN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103920234 571369668 /nfs/dbraw/zinc/36/96/68/571369668.db2.gz BCMLQADAVUPYJJ-BKUYFWCQSA-N 0 2 510.459 2.820 40 10 KFCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000103920266 571369664 /nfs/dbraw/zinc/36/96/64/571369664.db2.gz MFKSNERNKXWBKA-BKUYFWCQSA-N 0 2 510.459 2.820 40 10 KFCBLN Nc1nc(=O)c(N=Nc2ccc(S(=O)(=O)c3ccc(NN=C4C(=O)N=C(N)N=C4N)cc3)cc2)c(N)[nH]1 ZINC000104090966 571373549 /nfs/dbraw/zinc/37/35/49/571373549.db2.gz UNBYTCZXPDCWTG-SZDCHMHBSA-N 0 2 522.511 2.670 40 10 KFCBLN Nc1nc(=O)c(N=Nc2ccc(S(=O)(=O)c3ccc(NN=C4C(=O)N=C(N)N=C4N)cc3)cc2)c(N)[nH]1 ZINC000104090970 571373521 /nfs/dbraw/zinc/37/35/21/571373521.db2.gz UNBYTCZXPDCWTG-SNQKRLHOSA-N 0 2 522.511 2.670 40 10 KFCBLN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408526137 572157184 /nfs/dbraw/zinc/15/71/84/572157184.db2.gz ADUDJIFHKMPKMQ-QGOAFFKASA-N 0 2 577.457 2.974 40 10 KFCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCOCC2)C1=O ZINC000408526145 572157115 /nfs/dbraw/zinc/15/71/15/572157115.db2.gz AILODILSGFLARF-KAMYIIQDSA-N 0 2 541.362 2.755 40 10 KFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(Br)ccc(c54)C3=O)C2=O)cc1 ZINC000408526230 572156987 /nfs/dbraw/zinc/15/69/87/572156987.db2.gz AKRNXUFMCTWQSC-BOPFTXTBSA-N 0 2 535.310 2.878 40 10 KFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)N4CCCCC4)cc3OC)C2=O)cc1 ZINC000408526270 572157017 /nfs/dbraw/zinc/15/70/17/572157017.db2.gz BJHJTVNZKPLXCI-CAPFRKAQSA-N 0 2 528.587 2.847 40 10 KFCBLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(CCc4ccccc4)C3=O)cc2)n1 ZINC000408526316 572156946 /nfs/dbraw/zinc/15/69/46/572156946.db2.gz AXGHLIPGBUMOCZ-RCCKNPSSSA-N 0 2 520.571 2.511 40 10 KFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000408526439 572157898 /nfs/dbraw/zinc/15/78/98/572157898.db2.gz BZCPTWXLEHNHSQ-KGENOOAVSA-N 0 2 536.570 2.872 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)N4CCOCC4)cc3C)C2=O)c(C)cc1Br ZINC000408526660 572157708 /nfs/dbraw/zinc/15/77/08/572157708.db2.gz CXBTYDSOZOSAKA-QGOAFFKASA-N 0 2 577.457 2.974 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(S(N)(=O)=O)cc3C)C2=O)c(C)cc1Br ZINC000408526665 572158440 /nfs/dbraw/zinc/15/84/40/572158440.db2.gz BXUMPTPUFJNISK-NTEUORMPSA-N 0 2 507.366 2.601 40 10 KFCBLN NC(=N[N+](=O)[O-])NC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408526694 572158227 /nfs/dbraw/zinc/15/82/27/572158227.db2.gz DDAQRTHGJKEFEB-XNTDXEJSSA-N 0 2 531.367 2.689 40 10 KFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000408527222 572159854 /nfs/dbraw/zinc/15/98/54/572159854.db2.gz FMSOUHOXPUXCSH-XMHGGMMESA-N 0 2 563.430 2.611 40 10 KFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O ZINC000408527583 572160994 /nfs/dbraw/zinc/16/09/94/572160994.db2.gz DRHGLHRJKPYNAX-JLHYYAGUSA-N 0 2 543.334 2.689 40 10 KFCBLN Cc1cc(S(N)(=O)=O)ccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408527956 572162315 /nfs/dbraw/zinc/16/23/15/572162315.db2.gz GWCMLXFSNRXUSD-NTEUORMPSA-N 0 2 507.366 2.601 40 10 KFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408528130 572163049 /nfs/dbraw/zinc/16/30/49/572163049.db2.gz FGYRVPGGCOPXRA-BXBHGGAKSA-N 0 2 503.309 2.710 40 10 KFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408528131 572163263 /nfs/dbraw/zinc/16/32/63/572163263.db2.gz FGYRVPGGCOPXRA-GANRHZMWSA-N 0 2 503.309 2.710 40 10 KFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N(CC)CC)n(C)c(=O)n4C)C2=O)cc1 ZINC000408528359 572163814 /nfs/dbraw/zinc/16/38/14/572163814.db2.gz FUZZTOKGCUAVMH-OBGWFSINSA-N 0 2 506.563 2.701 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)N4CCOCC4)cc3)C2=O)ccc1Br ZINC000408529115 572167163 /nfs/dbraw/zinc/16/71/63/572167163.db2.gz IHURTOOXEGHQTO-QGOAFFKASA-N 0 2 513.348 2.809 40 10 KFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(N6CCOCC6)ccc(c54)C3=O)C2=O)c(C)c1 ZINC000408530103 572170899 /nfs/dbraw/zinc/17/08/99/572170899.db2.gz LCEDXPISZBNUOK-RCCKNPSSSA-N 0 2 539.548 2.561 40 10 KFCBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2 ZINC000408530678 572172992 /nfs/dbraw/zinc/17/29/92/572172992.db2.gz JLCYBGZOJIOZNT-UFFVCSGVSA-N 0 2 581.515 2.531 40 10 KFCBLN CNS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 ZINC000408530722 572172878 /nfs/dbraw/zinc/17/28/78/572172878.db2.gz JMDJGDPQJATUBY-XNTDXEJSSA-N 0 2 507.366 2.553 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)C2=O)ccc1Br ZINC000408531518 572175959 /nfs/dbraw/zinc/17/59/59/572175959.db2.gz KPVPMBONGCYWGX-SDNWHVSQSA-N 0 2 541.362 2.755 40 10 KFCBLN Cn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2n(C)c1=O ZINC000408531997 572178180 /nfs/dbraw/zinc/17/81/80/572178180.db2.gz LSJVIZAKWALOJF-FMIVXFBMSA-N 0 2 549.179 2.981 40 10 KFCBLN Cn1c(=O)n(C)c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c(Br)cc21 ZINC000408532248 572179172 /nfs/dbraw/zinc/17/91/72/572179172.db2.gz QBRYZCCSOLERQJ-MDZDMXLPSA-N 0 2 504.728 2.872 40 10 KFCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1C ZINC000408532372 572179125 /nfs/dbraw/zinc/17/91/25/572179125.db2.gz MMINENHFQJEPGW-XFXZXTDPSA-N 0 2 543.334 2.743 40 10 KFCBLN Cn1c(=O)n(C)c2cc(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c(Br)cc21 ZINC000408533181 572182051 /nfs/dbraw/zinc/18/20/51/572182051.db2.gz OEXHZFXUNICYGO-XFXZXTDPSA-N 0 2 504.728 2.872 40 10 KFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)C1=O ZINC000408533654 572184119 /nfs/dbraw/zinc/18/41/19/572184119.db2.gz OSLWPUQXSQSJDU-SAPNQHFASA-N 0 2 583.443 2.617 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)ccc1Br ZINC000408534219 572185757 /nfs/dbraw/zinc/18/57/57/572185757.db2.gz PSCRBEUDPNUNBI-SDNWHVSQSA-N 0 2 527.379 2.593 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c(C)cc1Br ZINC000408534234 572185737 /nfs/dbraw/zinc/18/57/37/572185737.db2.gz PTUAQHVXSORLEI-FMIVXFBMSA-N 0 2 543.334 2.743 40 10 KFCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(N6CCOCC6)ccc(c54)C3=O)C2=O)c(C)c1 ZINC000408534366 572186012 /nfs/dbraw/zinc/18/60/12/572186012.db2.gz QRTTXTWIBVZEEC-PXLXIMEGSA-N 0 2 553.575 2.869 40 10 KFCBLN Cn1c(=O)n(C)c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(Br)cc21 ZINC000408535629 572189210 /nfs/dbraw/zinc/18/92/10/572189210.db2.gz UBNRDSUUUJEMKE-XFXZXTDPSA-N 0 2 504.728 2.872 40 10 KFCBLN Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCOCC3)n(C)c(=O)n4C)C2=O)c1C ZINC000408536355 572191223 /nfs/dbraw/zinc/19/12/23/572191223.db2.gz WFUUGGKQSUKMMD-DTQAZKPQSA-N 0 2 583.443 2.672 40 10 KFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2C)C1=O ZINC000408536759 572192098 /nfs/dbraw/zinc/19/20/98/572192098.db2.gz XWEGMPUIJOWWAO-XNTDXEJSSA-N 0 2 507.366 2.546 40 10 KFCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)ccc1Br ZINC000408536776 572192067 /nfs/dbraw/zinc/19/20/67/572192067.db2.gz XZFIPEWWFYMSPB-FMIVXFBMSA-N 0 2 543.334 2.743 40 10 KFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Br ZINC000408537106 572193268 /nfs/dbraw/zinc/19/32/68/572193268.db2.gz ZDOQVRKXPSTXTJ-XYOKQWHBSA-N 0 2 505.241 2.657 40 10 KFCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)ccc1Br ZINC000408537179 572193699 /nfs/dbraw/zinc/19/36/99/572193699.db2.gz ZJQKJWMLFSKAMF-SDNWHVSQSA-N 0 2 541.406 2.901 40 10 KFCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(C)=O ZINC000408537890 572196582 /nfs/dbraw/zinc/19/65/82/572196582.db2.gz XYXBTZPFZDHRKS-DHDCSXOGSA-N 0 2 506.252 2.892 40 10 KFCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408762077 1059570952 /nfs/dbraw/zinc/57/09/52/1059570952.db2.gz MSTHJTRWDGFDCS-OQLLNIDSSA-N 0 2 503.305 2.984 40 10 KFCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I ZINC000408768800 1059015008 /nfs/dbraw/zinc/01/50/08/1059015008.db2.gz JLWKTCWQQXDGOJ-OQLLNIDSSA-N 0 2 520.279 2.818 40 10 KFCBLN COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408773756 1059571441 /nfs/dbraw/zinc/57/14/41/1059571441.db2.gz SIVRFJSRXBNQPK-OVCLIPMQSA-N 0 2 503.305 2.984 40 10 KFCBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408777070 1059014839 /nfs/dbraw/zinc/01/48/39/1059014839.db2.gz VDXFQBDLQFIQSR-OVCLIPMQSA-N 0 2 503.305 2.984 40 10 KFCBLN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408783556 1059572123 /nfs/dbraw/zinc/57/21/23/1059572123.db2.gz OQWTZZUIPAAQRZ-OVCLIPMQSA-N 0 2 550.305 2.826 40 10 KFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C2=O)cc1 ZINC000408803632 1059572710 /nfs/dbraw/zinc/57/27/10/1059572710.db2.gz RJRYYWWWMNLCNJ-RIYZIHGNSA-N 0 2 536.278 2.761 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC ZINC000408804229 1059015245 /nfs/dbraw/zinc/01/52/45/1059015245.db2.gz DNXGNJQGFKCZEP-AWNIVKPZSA-N 0 2 523.239 2.883 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OC ZINC000408846278 1059576600 /nfs/dbraw/zinc/57/66/00/1059576600.db2.gz IEANYZBDVBPQAK-LFYBBSHMSA-N 0 2 522.251 2.704 40 10 KFCBLN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408851419 1059577885 /nfs/dbraw/zinc/57/78/85/1059577885.db2.gz JWNHDWILLBSKQM-VGOFMYFVSA-N 0 2 507.268 2.815 40 10 KFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OC)c3)C2=O)cc1 ZINC000408869467 1059579616 /nfs/dbraw/zinc/57/96/16/1059579616.db2.gz PPNKCLRWWHNLEU-CXUHLZMHSA-N 0 2 506.252 2.753 40 10 KFCBLN 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NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000409224937 1059717049 /nfs/dbraw/zinc/71/70/49/1059717049.db2.gz OAIQJARQAQZKLR-UUILKARUSA-N 0 2 568.134 2.650 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(N)=O ZINC000409225033 1059717008 /nfs/dbraw/zinc/71/70/08/1059717008.db2.gz NZDBAKIDAVRZDQ-AWNIVKPZSA-N 0 2 553.163 2.751 40 10 KFCBLN NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000409225176 1059716177 /nfs/dbraw/zinc/71/61/77/1059716177.db2.gz PJGMXOAORIBYFA-LFYBBSHMSA-N 0 2 541.127 2.881 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409225339 1059716313 /nfs/dbraw/zinc/71/63/13/1059716313.db2.gz OMCMEQDUOVLRNO-WLRTZDKTSA-N 0 2 522.739 2.950 40 10 KFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(OC)c3)C2=O)cc1OC ZINC000409225915 1059716141 /nfs/dbraw/zinc/71/61/41/1059716141.db2.gz SSFMXDZKSLQSHY-OVCLIPMQSA-N 0 2 562.373 2.786 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409226512 1059036787 /nfs/dbraw/zinc/03/67/87/1059036787.db2.gz ULFGBJQBGYRPQM-WLRTZDKTSA-N 0 2 508.712 2.642 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409226707 1059716102 /nfs/dbraw/zinc/71/61/02/1059716102.db2.gz RQOHIDXGTLYVCC-VIZOYTHASA-N 0 2 502.321 2.605 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(N)=O ZINC000409226820 1059716246 /nfs/dbraw/zinc/71/62/46/1059716246.db2.gz VYKCKNWJIPSAIO-WUXMJOGZSA-N 0 2 522.739 2.950 40 10 KFCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000409227269 1059716346 /nfs/dbraw/zinc/71/63/46/1059716346.db2.gz YTOGOEXTRLAXOQ-NTUHNPAUSA-N 0 2 523.137 2.742 40 10 KFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409227295 1059716287 /nfs/dbraw/zinc/71/62/87/1059716287.db2.gz XUYYZASNBPLCPY-LZYBPNLTSA-N 0 2 516.348 2.995 40 10 KFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1 ZINC000409227307 1059718894 /nfs/dbraw/zinc/71/88/94/1059718894.db2.gz UXDZYBBSKSRFNT-AWNIVKPZSA-N 0 2 581.173 2.529 40 10 KFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(N)=O ZINC000409227371 1059718828 /nfs/dbraw/zinc/71/88/28/1059718828.db2.gz YASWLULJJRJGRA-WLRTZDKTSA-N 0 2 569.739 2.792 40 10 KFCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)N1CCOCC1 ZINC000409227881 1059036839 /nfs/dbraw/zinc/03/68/39/1059036839.db2.gz SJMYUGWFHCECBF-GZTJUZNOSA-N 0 2 504.326 2.897 40 10 KFCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1)N1CCOCC1 ZINC000409231179 1059719985 /nfs/dbraw/zinc/71/99/85/1059719985.db2.gz IODMKLXXJZWVBR-FOWTUZBSSA-N 0 2 504.326 2.897 40 10 KFCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1=O ZINC000409234518 1059719539 /nfs/dbraw/zinc/71/95/39/1059719539.db2.gz LIQTTYBAARIBDG-CPNJWEJPSA-N 0 2 528.359 2.662 40 10 KFCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1)N1CCOCC1 ZINC000409240034 1059720620 /nfs/dbraw/zinc/72/06/20/1059720620.db2.gz PISLYVAHCXHNJM-GZTJUZNOSA-N 0 2 504.326 2.897 40 10 KFCBLN NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000409255738 1059721747 /nfs/dbraw/zinc/72/17/47/1059721747.db2.gz IOFWPNGRHNDLDM-QPEQYQDCSA-N 0 2 523.137 2.742 40 10 KFCBLN NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409257422 1059723450 /nfs/dbraw/zinc/72/34/50/1059723450.db2.gz QUYLVMZLVLISIS-ACAGNQJTSA-N 0 2 568.134 2.650 40 10 KFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1 ZINC000409259968 1059723128 /nfs/dbraw/zinc/72/31/28/1059723128.db2.gz ILWQMOXOYZIUQF-AUWJEWJLSA-N 0 2 581.173 2.529 40 10 KFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1 ZINC000409262206 1059722579 /nfs/dbraw/zinc/72/25/79/1059722579.db2.gz DGUZKRQIHQFMBS-VGOFMYFVSA-N 0 2 553.163 2.751 40 10 KFCBLN NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409265239 1059722267 /nfs/dbraw/zinc/72/22/67/1059722267.db2.gz TYIHYIWCTFPBQA-MLPAPPSSSA-N 0 2 568.134 2.650 40 10 KFCBLN NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000409266348 1059037724 /nfs/dbraw/zinc/03/77/24/1059037724.db2.gz YEDYYYYJVMAPBI-AWNIVKPZSA-N 0 2 541.127 2.881 40 10 KFCBLN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000409373400 1059731749 /nfs/dbraw/zinc/73/17/49/1059731749.db2.gz RLUVDQDRCNXLAM-ONNFQVAWSA-N 0 2 564.073 2.856 40 10 KFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)cc1 ZINC000409375297 1059731563 /nfs/dbraw/zinc/73/15/63/1059731563.db2.gz IOWPNDPXDCYWRM-CPNJWEJPSA-N 0 2 542.386 2.916 40 10 KFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)c1 ZINC000409378548 1059733350 /nfs/dbraw/zinc/73/33/50/1059733350.db2.gz PZEAKQJLDMBEQS-XDHOZWIPSA-N 0 2 542.386 2.970 40 10 KFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)c1C ZINC000409379587 1059737562 /nfs/dbraw/zinc/73/75/62/1059737562.db2.gz XZBZZJLJOMMAMQ-LDADJPATSA-N 0 2 542.386 2.970 40 10 KFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O ZINC000409380167 1059737124 /nfs/dbraw/zinc/73/71/24/1059737124.db2.gz JMVCRTLCRLXXLT-QGOAFFKASA-N 0 2 542.386 2.916 40 10 KFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O ZINC000409380174 1059737749 /nfs/dbraw/zinc/73/77/49/1059737749.db2.gz JQAWAFACZIVJDO-SFQUDFHCSA-N 0 2 528.359 2.662 40 10 KFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)c1 ZINC000409380760 1059736876 /nfs/dbraw/zinc/73/68/76/1059736876.db2.gz AFFFVCBEHCSECI-LDADJPATSA-N 0 2 528.359 2.662 40 10 KFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)cc1 ZINC000409381982 1059039875 /nfs/dbraw/zinc/03/98/75/1059039875.db2.gz JLNADXYRYCUODA-CPNJWEJPSA-N 0 2 558.385 2.752 40 10 KFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)cc1 ZINC000409383430 1059736209 /nfs/dbraw/zinc/73/62/09/1059736209.db2.gz UXYHYTPIUJRZCT-LDADJPATSA-N 0 2 528.359 2.662 40 10 KFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)cc1C ZINC000409384111 1059733851 /nfs/dbraw/zinc/73/38/51/1059733851.db2.gz BDCABPPGWMUUAE-XDHOZWIPSA-N 0 2 542.386 2.970 40 10 KFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)c1 ZINC000409386845 1059040195 /nfs/dbraw/zinc/04/01/95/1059040195.db2.gz NTNZETXJEXWERV-XDHOZWIPSA-N 0 2 558.385 2.752 40 10 KFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(N)=O ZINC000409398387 1059742678 /nfs/dbraw/zinc/74/26/78/1059742678.db2.gz AGGBAQIOOPJPOM-GHXNOFRVSA-N 0 2 525.153 2.546 40 10 KFCBLN O=C(COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)N1CCOCC1 ZINC000409399581 1059741717 /nfs/dbraw/zinc/74/17/17/1059741717.db2.gz JUQRVUVPCVGCKH-YBEGLDIGSA-N 0 2 659.218 2.595 40 10 KFCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(N)=O ZINC000409399621 1059741280 /nfs/dbraw/zinc/74/12/80/1059741280.db2.gz KVLGHJKYBOBTSL-JYRVWZFOSA-N 0 2 539.180 2.936 40 10 KFCBLN O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)N1CCOCC1 ZINC000409399792 1059741168 /nfs/dbraw/zinc/74/11/68/1059741168.db2.gz MKRMHABFSZCPMC-YBEGLDIGSA-N 0 2 565.218 2.911 40 10 KFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC000409400120 1059040706 /nfs/dbraw/zinc/04/07/06/1059040706.db2.gz OYNNVIIJRAMXNB-WJDWOHSUSA-N 0 2 550.793 2.810 40 10 KFCBLN O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)N1CCOCC1 ZINC000409400192 1059740548 /nfs/dbraw/zinc/74/05/48/1059740548.db2.gz QGVOROSWOYHTSI-YBEGLDIGSA-N 0 2 520.767 2.802 40 10 KFCBLN COC(=O)COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409400507 1059739919 /nfs/dbraw/zinc/73/99/19/1059739919.db2.gz SDBSUZWMVJETGW-QPEQYQDCSA-N 0 2 604.138 2.909 40 10 KFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)N1CCOCC1 ZINC000409400941 1059745228 /nfs/dbraw/zinc/74/52/28/1059745228.db2.gz VYQCMNWAVJMSIJ-WJDWOHSUSA-N 0 2 595.244 2.919 40 10 KFCBLN O=C(COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)N1CCOCC1 ZINC000409401759 1059744633 /nfs/dbraw/zinc/74/46/33/1059744633.db2.gz ZSMOVJKRUHPRAG-BOPFTXTBSA-N 0 2 520.767 2.802 40 10 KFCBLN